├── LICENSE ├── README.md └── easybuild ├── easyblocks └── 00 │ └── 00dummy.py └── easyconfigs ├── __archive__ ├── a │ ├── ABINIT │ │ ├── ABINIT-9.6.2-cpeGNU-21.08.eb │ │ ├── ABINIT-9.6.2-cpeGNU-21.12.eb │ │ ├── LICENSE.md │ │ └── README.md │ ├── ADIOS2 │ │ ├── ADIOS2-2.7.1-cpeGNU-22.08.eb │ │ ├── ADIOS2-2.7.1_fix-gcc11-include.patch │ │ └── ADIOS2-2.8.3-cpeGNU-22.12.eb │ ├── ANTLR │ │ ├── ANTLR-2.7.7-cpeAOCC-21.12-python3.eb │ │ ├── ANTLR-2.7.7-cpeAOCC-22.08-python3.eb │ │ ├── ANTLR-2.7.7-cpeAOCC-22.12-python3.eb │ │ ├── ANTLR-2.7.7-cpeCray-21.08-python3.eb │ │ ├── ANTLR-2.7.7-cpeCray-21.12-python3.eb │ │ ├── ANTLR-2.7.7-cpeCray-22.06-python3.eb │ │ ├── ANTLR-2.7.7-cpeCray-22.08-python3.eb │ │ ├── ANTLR-2.7.7-cpeCray-22.12-python3.eb │ │ ├── ANTLR-2.7.7-cpeGNU-21.08-python3.eb │ │ ├── ANTLR-2.7.7-cpeGNU-21.12-python3.eb │ │ ├── ANTLR-2.7.7-cpeGNU-22.06-python3.eb │ │ ├── ANTLR-2.7.7-cpeGNU-22.08-python3.eb │ │ └── ANTLR-2.7.7-cpeGNU-22.12-python3.eb │ ├── AdaptiveCpp │ │ ├── AdaptiveCpp-23.10.0-cpeAMD-23.09-rocm-5.4.6.eb │ │ └── AdaptiveCpp-23.10.0-cpeAMD-23.09-rocm-5.6.1.eb │ ├── Amber │ │ ├── Amber-22.0-cpeGNU-22.08-AmberTools-22.3-GPU.eb │ │ ├── Amber-22.0-cpeGNU-22.08-AmberTools-22.3.eb │ │ ├── Amber-22_hipcc_mpich_linking.patch │ │ ├── Amber-22_hipcc_mpich_linking_amd23.patch │ │ ├── Amber-22_remove_open-pal-link.patch │ │ ├── Amber-22_remove_open-pal-link_amd23.patch │ │ └── AmberTools-20_cmake-locate-netcdf.patch │ ├── amd-aocl │ │ ├── amd-aocl-3.1-cpeGNU-21.08.eb │ │ ├── amd-aocl-3.2-cpeAOCC-22.08.eb │ │ ├── amd-aocl-3.2-cpeGNU-22.06.eb │ │ ├── amd-aocl-3.2-cpeGNU-22.08.eb │ │ ├── amd-aocl-4.0-cpeAOCC-22.12.eb │ │ └── amd-aocl-4.0-cpeGNU-22.12.eb │ ├── aria2 │ │ ├── aria2-1.35-cpeGNU-21.12.eb │ │ ├── aria2-1.36-cpeAOCC-22.08.eb │ │ ├── aria2-1.36-cpeCray-22.06.eb │ │ ├── aria2-1.36-cpeCray-22.08.eb │ │ ├── aria2-1.36-cpeGNU-22.06.eb │ │ └── aria2-1.36-cpeGNU-22.08.eb │ ├── arpack-ng │ │ ├── arpack-ng-3.9.0-cpeGNU-22.08-OpenMP.eb │ │ ├── arpack-ng-3.9.0-cpeGNU-22.08-noOpenMP.eb │ │ ├── arpack-ng-3.9.0-cpeGNU-22.12-OpenMP.eb │ │ └── arpack-ng-3.9.0-cpeGNU-22.12-noOpenMP.eb │ └── aws-ofi-rccl │ │ ├── aws-ofi-rccl-1.4.0-cpeGNU-22.12-rocm-5.3.2.eb │ │ └── aws-ofi-rccl-66b3b31-cpeGNU-22.08.eb ├── b │ ├── BCFtools │ │ ├── BCFtools-1.14-cpeGNU-21.12.eb │ │ ├── BCFtools-1.15.1-cpeGNU-21.12.eb │ │ ├── BCFtools-1.15.1-cpeGNU-22.06.eb │ │ ├── BCFtools-1.15.1-cpeGNU-22.08.eb │ │ └── BCFtools-1.17-cpeGNU-22.12.eb │ ├── BLIS │ │ ├── BLIS-3.1-cpeCray-21.08-amd.eb │ │ ├── BLIS-3.1-cpeGNU-21.08-amd.eb │ │ ├── BLIS-3.2-cpeAOCC-22.08-amd.eb │ │ ├── BLIS-3.2-cpeCray-22.06-amd.eb │ │ ├── BLIS-3.2-cpeCray-22.08-amd.eb │ │ ├── BLIS-3.2-cpeGNU-22.06-amd.eb │ │ ├── BLIS-3.2-cpeGNU-22.08-amd.eb │ │ ├── BLIS-4.0-cpeAOCC-22.12-amd-ILP64.eb │ │ ├── BLIS-4.0-cpeAOCC-22.12-amd.eb │ │ ├── BLIS-4.0-cpeCray-22.12-amd-ILP64.eb │ │ ├── BLIS-4.0-cpeCray-22.12-amd.eb │ │ ├── BLIS-4.0-cpeGNU-22.12-amd-ILP64.eb │ │ └── BLIS-4.0-cpeGNU-22.12-amd.eb │ └── Boost │ │ ├── Boost-1.72.0-cpeGNU-22.12.eb │ │ └── README.md ├── c │ ├── CDO │ │ ├── CDO-1.9.10-cpeCray-21.08.eb │ │ ├── CDO-1.9.10-cpeGNU-21.08.eb │ │ ├── CDO-2.0.5-cpeCray-21.12.eb │ │ ├── CDO-2.0.5-cpeCray-22.06.eb │ │ ├── CDO-2.0.5-cpeCray-22.08.eb │ │ ├── CDO-2.0.5-cpeGNU-21.12.eb │ │ ├── CDO-2.0.5-cpeGNU-22.06.eb │ │ ├── CDO-2.0.5-cpeGNU-22.08.eb │ │ ├── CDO-2.2.0-cpeCray-22.12.eb │ │ └── CDO-2.2.0-cpeGNU-22.12.eb │ ├── CGAL │ │ ├── CGAL-4.12.2-cpeGNU-21.08-OpenFOAM.eb │ │ ├── CGAL-4.12.2-cpeGNU-21.12-OpenFOAM.eb │ │ ├── CGAL-4.12.2-cpeGNU-22.06-OpenFOAM.eb │ │ ├── CGAL-4.12.2-cpeGNU-22.08-OpenFOAM.eb │ │ └── CGAL-4.12.2-cpeGNU-22.12-OpenFOAM.eb │ ├── CMOR │ │ ├── CMOR-3.6.1-cpeAOCC-21.12.eb │ │ ├── CMOR-3.6.1-cpeCray-21.08.eb │ │ ├── CMOR-3.6.1-cpeCray-21.12.eb │ │ ├── CMOR-3.6.1-cpeCray-22.06.eb │ │ ├── CMOR-3.6.1-cpeCray-22.08.eb │ │ ├── CMOR-3.6.1-cpeGNU-21.08.eb │ │ ├── CMOR-3.6.1-cpeGNU-21.12.eb │ │ ├── CMOR-3.6.1-cpeGNU-22.06.eb │ │ ├── CMOR-3.6.1-cpeGNU-22.08.eb │ │ ├── CMOR-3.7.2-cpeCray-22.12.eb │ │ └── CMOR-3.7.2-cpeGNU-22.12.eb │ ├── COSMA │ │ ├── COSMA-2.6.2-cpeGNU-22.08.eb │ │ ├── COSMA-2.6.2-cpeGNU-22.12-CPU.eb │ │ └── COSMA-2.6.6-cpeGNU-22.12-CPU.eb │ ├── CP2K │ │ ├── CP2K-2022.1-cpeGNU-22.08.eb │ │ ├── CP2K-2022.1-cpeGNU.psmp │ │ ├── CP2K-2023.1-cpeGNU-22.08-GPU.eb │ │ ├── CP2K-2023.1-cpeGNU-22.12-CPU.eb │ │ ├── CP2K-2023.2-cpeGNU-22.12-CPU.eb │ │ ├── CP2K-9.1-cpeGNU-21.08.eb │ │ ├── CP2K-9.1-cpeGNU-21.12.eb │ │ ├── CP2K-9.1-cpeGNU.psmp │ │ ├── LUMIC-20231.psmp │ │ ├── LUMIC-20232.psmp │ │ └── LUMIG-20231.psmp │ ├── Charm++ │ │ ├── Charm++-6.10.2-cpeGNU-21.08-MPI.eb │ │ ├── Charm++-6.10.2-cpeGNU-21.12-MPI.eb │ │ └── Charm++-6.10.2-cpeGNU-22.08-MPI.eb │ ├── CppUnit │ │ ├── CppUnit-1.15.1-cpeAOCC-22.08.eb │ │ ├── CppUnit-1.15.1-cpeCray-22.06.eb │ │ ├── CppUnit-1.15.1-cpeCray-22.08.eb │ │ ├── CppUnit-1.15.1-cpeGNU-21.12.eb │ │ ├── CppUnit-1.15.1-cpeGNU-22.06.eb │ │ └── CppUnit-1.15.1-cpeGNU-22.08.eb │ ├── CuPy │ │ ├── CuPy-11.0.0-cpeGNU-22.08.eb │ │ ├── CuPy-12.2.0-cpeGNU-22.09-rocm-5.2.3.eb │ │ └── CuPy-12.2.0-cpeGNU-22.12.eb │ └── c-ares │ │ ├── c-ares-1.18.1-cpeAOCC-22.08.eb │ │ ├── c-ares-1.18.1-cpeCray-22.06.eb │ │ ├── c-ares-1.18.1-cpeCray-22.08.eb │ │ ├── c-ares-1.18.1-cpeGNU-21.12.eb │ │ ├── c-ares-1.18.1-cpeGNU-22.06.eb │ │ └── c-ares-1.18.1-cpeGNU-22.08.eb ├── d │ ├── DFTD4 │ │ ├── DFTD4-3.3.0-cpeGNU-21.12.eb │ │ ├── DFTD4-3.3.0-cpeGNU-22.06.eb │ │ ├── DFTD4-3.3.0-cpeGNU-22.08.eb │ │ ├── DFTD4-3.4.0-cpeGNU-22.06.eb │ │ ├── DFTD4-3.4.0-cpeGNU-22.08.eb │ │ └── DFTD4-3.4.0-cpeGNU-22.12.eb │ └── DeepSpeed │ │ └── DeepSpeed-0.7.2-cpeGNU-22.08.eb ├── e │ ├── ELPA │ │ ├── ELPA-2022.05.001-cpeCray-22.08-CPU.eb │ │ ├── ELPA-2022.05.001-cpeGNU-22.08-CPU.eb │ │ ├── ELPA-2022.11.001-cpeGNU-22.12-CPU.eb │ │ ├── ELPA-2022.11.001.rc1-cpeGNU-22.08-CPU.eb │ │ ├── ELPA-2023.05.001-cpeGNU-22.12-CPU.eb │ │ ├── ELPA-2023.05.001-cpeGNU-22.12-GPU.eb │ │ └── ELPA-2023.11.001-cpeGNU-23.09-GPU.eb │ ├── Elk │ │ ├── Elk-8.4.30-cpeGNU-22.06.eb │ │ ├── Elk-8.4.30-cpeGNU-22.08.eb │ │ ├── Elk-8.4.30-make.inc │ │ ├── Elk-8.4.6-cpeGNU-21.12.eb │ │ ├── Elk-8.4.6-make.inc │ │ ├── Elk-8.7.10-cpeGNU-22.08.eb │ │ └── Elk-8.7.10-cpeGNU-22.12.eb │ ├── eb-tutorial │ │ ├── eb-tutorial-1.0.1-cpeAOCC-22.08.eb │ │ ├── eb-tutorial-1.0.1-cpeAOCC-22.12.eb │ │ ├── eb-tutorial-1.0.1-cpeCray-22.08.eb │ │ ├── eb-tutorial-1.0.1-cpeCray-22.12.eb │ │ ├── eb-tutorial-1.0.1-cpeGNU-22.08.eb │ │ └── eb-tutorial-1.0.1-cpeGNU-22.12.eb │ └── ecCodes │ │ ├── ecCodes-2.23.0-cpeCray-21.08.eb │ │ ├── ecCodes-2.23.0-cpeGNU-21.08.eb │ │ ├── ecCodes-2.25.0-cpeAOCC-21.12.eb │ │ ├── ecCodes-2.25.0-cpeCray-21.12.eb │ │ ├── ecCodes-2.25.0-cpeGNU-21.12.eb │ │ ├── ecCodes-2.26.0-cpeCray-22.06.eb │ │ ├── ecCodes-2.26.0-cpeCray-22.08.eb │ │ ├── ecCodes-2.26.0-cpeGNU-22.06.eb │ │ ├── ecCodes-2.26.0-cpeGNU-22.08.eb │ │ ├── ecCodes-2.30.0-cpeCray-22.12.eb │ │ └── ecCodes-2.30.0-cpeGNU-22.12.eb ├── f │ └── freeglut │ │ ├── LICENSE.md │ │ ├── README.md │ │ └── freeglut-3.2.2-cpeGNU-22.08.eb ├── g │ ├── GDAL │ │ ├── GDAL-3.5.2-cpeGNU-22.08-cray-python-3.9.4.2.eb │ │ └── GDAL-3.5.2-cpeGNU-22.08-noPython.eb │ ├── GEOS │ │ └── GEOS-3.11.0-cpeGNU-22.08.eb │ ├── GROMACS │ │ ├── GROMACS-2020.4-cpeCray-21.08-PLUMED-2.6.4-CPU.eb │ │ ├── GROMACS-2020.4-cpeGNU-21.08-PLUMED-2.6.4-CPU.eb │ │ ├── GROMACS-2020.6-cpeCray-21.08-CPU.eb │ │ ├── GROMACS-2020.6-cpeCray-21.08-PLUMED-2.7.2-CPU.eb │ │ ├── GROMACS-2020.6-cpeGNU-21.08-CPU.eb │ │ ├── GROMACS-2020.6-cpeGNU-21.08-PLUMED-2.7.2-CPU.eb │ │ ├── GROMACS-2021-cpeCray-21.08-PLUMED-2.7.2-CPU.eb │ │ ├── GROMACS-2021-cpeGNU-21.08-PLUMED-2.7.2-CPU.eb │ │ ├── GROMACS-2021.3-cpeCray-21.08-CPU.eb │ │ ├── GROMACS-2021.3-cpeGNU-21.08-CPU.eb │ │ ├── GROMACS-2021.4-cpeAOCC-21.12-PLUMED-2.7.4-CPU.eb │ │ ├── GROMACS-2021.4-cpeAOCC-21.12-PLUMED-2.8.0-CPU.eb │ │ ├── GROMACS-2021.4-cpeCray-21.12-PLUMED-2.7.4-CPU.eb │ │ ├── GROMACS-2021.4-cpeCray-21.12-PLUMED-2.8.0-CPU.eb │ │ ├── GROMACS-2021.4-cpeCray-22.06-PLUMED-2.7.4-CPU.eb │ │ ├── GROMACS-2021.4-cpeCray-22.06-PLUMED-2.8.0-CPU.eb │ │ ├── GROMACS-2021.4-cpeCray-22.08-PLUMED-2.7.4-CPU.eb │ │ ├── GROMACS-2021.4-cpeCray-22.08-PLUMED-2.7.4-cray-python-3.9.12.1-CPU.eb │ │ ├── GROMACS-2021.4-cpeCray-22.08-PLUMED-2.7.4-noPython-CPU.eb │ │ ├── GROMACS-2021.4-cpeCray-22.08-PLUMED-2.8.0-CPU.eb │ │ ├── GROMACS-2021.4-cpeCray-22.08-PLUMED-2.8.0-cray-python-3.9.12.1-CPU.eb │ │ ├── GROMACS-2021.4-cpeCray-22.08-PLUMED-2.8.0-noPython-CPU.eb │ │ ├── GROMACS-2021.4-cpeGNU-21.12-PLUMED-2.7.4-CPU.eb │ │ ├── GROMACS-2021.4-cpeGNU-21.12-PLUMED-2.8.0-CPU.eb │ │ ├── GROMACS-2021.4-cpeGNU-22.06-PLUMED-2.7.4-CPU.eb │ │ ├── GROMACS-2021.4-cpeGNU-22.06-PLUMED-2.8.0-CPU.eb │ │ ├── GROMACS-2021.4-cpeGNU-22.08-PLUMED-2.7.4-CPU.eb │ │ ├── GROMACS-2021.4-cpeGNU-22.08-PLUMED-2.7.4-cray-python-3.9.12.1-CPU.eb │ │ ├── GROMACS-2021.4-cpeGNU-22.08-PLUMED-2.7.4-noPython-CPU.eb │ │ ├── GROMACS-2021.4-cpeGNU-22.08-PLUMED-2.8.0-CPU.eb │ │ ├── GROMACS-2021.4-cpeGNU-22.08-PLUMED-2.8.0-cray-python-3.9.12.1-CPU.eb │ │ ├── GROMACS-2021.4-cpeGNU-22.08-PLUMED-2.8.0-noPython-CPU.eb │ │ ├── GROMACS-2021.5-cpeAOCC-21.12-CPU.eb │ │ ├── GROMACS-2021.5-cpeCray-21.12-CPU.eb │ │ ├── GROMACS-2021.5-cpeGNU-21.12-CPU.eb │ │ ├── GROMACS-2021.6-cpeCray-22.06-CPU.eb │ │ ├── GROMACS-2021.6-cpeCray-22.08-CPU.eb │ │ ├── GROMACS-2021.6-cpeGNU-22.06-CPU.eb │ │ ├── GROMACS-2021.6-cpeGNU-22.08-CPU.eb │ │ ├── GROMACS-2021.7-cpeCray-23.09-CPU.eb │ │ ├── GROMACS-2023-dev-cpeGNU-22.08-MPI-GPU.eb │ │ ├── GROMACS-2023.2-cpeAMD-22.12-HeFFTe-GPU.eb │ │ ├── GROMACS-2023.2-cpeAMD-22.12-VkFFT-GPU.eb │ │ ├── GROMACS-2023.3-cpeAMD-22.12-HeFFTe-GPU.eb │ │ ├── GROMACS-2023.3-cpeAMD-22.12-VkFFT-GPU.eb │ │ ├── GROMACS-2024.1-cpeAMD-23.09-HeFFTe-2.4-AdaptiveCpp-23.10.0-rocm-5.4.6.eb │ │ ├── GROMACS-2024.3-cpeAMD-24.03-PLUMED-2.9.2-noPython-rocm.eb │ │ ├── GROMACS-2024.3-cpeCray-24.03-PLUMED-2.9.2-noPython-CPU.eb │ │ ├── GROMACS-2024.3-cpeGNU-24.03-PLUMED-2.9.2-cray-python-3.11.7-CPU.eb │ │ └── GROMACS-2024.3-cpeGNU-24.03-PLUMED-2.9.2-noPython-CPU.eb │ ├── GSL │ │ ├── GSL-2.7-cpeGNU-21.12-seq.eb │ │ └── README.md │ ├── GlobalArrays │ │ ├── GlobalArrays-5.8-cpeGNU-21.08.eb │ │ ├── LICENSE.md │ │ └── README.md │ └── glew │ │ ├── LICENSE.md │ │ ├── README.md │ │ ├── glew-2.2.0-cpeGNU-22.08-egl.eb │ │ └── glew-2.2.0-cpeGNU-22.08-glx.eb ├── h │ ├── HDF │ │ └── HDF-4.2.15-cpeGNU-22.08.eb │ ├── HTSlib │ │ ├── HTSlib-1.14-cpeGNU-21.12.eb │ │ ├── HTSlib-1.15.1-cpeGNU-21.12.eb │ │ ├── HTSlib-1.15.1-cpeGNU-22.06.eb │ │ ├── HTSlib-1.15.1-cpeGNU-22.08.eb │ │ └── HTSlib-1.17-cpeGNU-22.12.eb │ ├── HeFFTe │ │ ├── HeFFTe-2.3.0-cpeAMD-22.12-rocm-5.2.3.eb │ │ ├── HeFFTe-2.3.0-cpeGNU-22.12-rocm-5.2.3.eb │ │ ├── HeFFTe-2.4.0-cpeAMD-22.12-rocm-5.2.3.eb │ │ └── HeFFTe-2.4.0-cpeAMD-23.09-rocm-5.6.1.eb │ ├── HyperQueue │ │ ├── HyperQueue-0.4.0.eb │ │ └── HyperQueue-0.5.0.eb │ ├── Hypre │ │ ├── Hypre-2.26.0-cpeGNU-22.08.eb │ │ └── Hypre-2.26.0-cpeGNU-22.12.eb │ ├── h5py │ │ ├── h5py-3.6.0-cpeGNU-22.08-parallel.eb │ │ ├── h5py-3.7.0-cpeAMD-22.08-parallel.eb │ │ ├── h5py-3.7.0-cpeCray-22.08-parallel.eb │ │ └── h5py-3.7.0-cpeGNU-22.08-parallel.eb │ ├── hipSYCL │ │ ├── LICENSE.md │ │ ├── README.md │ │ ├── hipSYCL-0.9.3-cpeGNU-22.08.eb │ │ ├── hipSYCL-0.9.4-cpeAMD-22.12-rocm-5.2.3.eb │ │ └── hipSYCL-0.9.4-cpeGNU-22.08.eb │ └── hipfort │ │ ├── hipfort-0.4-0-cpeCray-22.08-rocm5.2.eb │ │ ├── hipfort-0.4-0-cpeCray-22.08-rocm5.3.eb │ │ ├── hipfort-0.4-0-cpeCray-22.12-rocm5.2.eb │ │ └── hipfort-0.4-0-cpeCray-23.03-rocm5.2.eb ├── i │ └── Info-ZIP │ │ ├── Info-ZIP-3.0-6.0-cpeGNU-22.06.eb │ │ ├── Info-ZIP-3.0-6.0-cpeGNU-22.08.eb │ │ └── Info-ZIP-3.0-6.0-cpeGNU-22.12.eb ├── j │ ├── JasPer │ │ ├── JasPer-2.0.33-cpeGNU-22.06.eb │ │ ├── JasPer-2.0.33-cpeGNU-22.08.eb │ │ └── README.md │ ├── Java │ │ ├── Java-11.0.18.eb │ │ └── Java-17.0.6.eb │ ├── jax │ │ ├── LICENSE.md │ │ ├── README.md │ │ ├── USER.md │ │ ├── jax-0.3.20-cpeCray-22.08-rocm5.2.eb │ │ ├── jax-0.3.20-cpeCray-22.12-rocm5.2.eb │ │ ├── jax-0.3.20-cpeCray-23.03-rocm5.2.eb │ │ ├── jax-0.3.20-cpeGNU-22.08-rocm5.2.eb │ │ ├── jax-0.3.20-cpeGNU-22.12-rocm5.2.eb │ │ ├── jax-0.4.1-cpeCray-22.08-rocm5.3.eb │ │ ├── jax-0.4.1-cpeGNU-22.08-rocm5.3.eb │ │ └── jaxlib_local-tensorflow-repo.sed │ └── json-c │ │ ├── json-c-0.15-cpeCray-21.08.eb │ │ ├── json-c-0.15-cpeGNU-21.08.eb │ │ ├── json-c-0.16-cpeAOCC-21.12.eb │ │ ├── json-c-0.16-cpeAOCC-22.08.eb │ │ ├── json-c-0.16-cpeAOCC-22.12.eb │ │ ├── json-c-0.16-cpeCray-21.12.eb │ │ ├── json-c-0.16-cpeCray-22.06.eb │ │ ├── json-c-0.16-cpeCray-22.08.eb │ │ ├── json-c-0.16-cpeCray-22.12.eb │ │ ├── json-c-0.16-cpeGNU-21.12.eb │ │ ├── json-c-0.16-cpeGNU-22.06.eb │ │ ├── json-c-0.16-cpeGNU-22.08.eb │ │ └── json-c-0.16-cpeGNU-22.12.eb ├── k │ └── KaHIP │ │ ├── KaHIP-3.14-cpeGNU-22.12.eb │ │ ├── LICENSE.md │ │ ├── README.md │ │ └── USER.md ├── l │ ├── LAMMPS │ │ ├── LAMMPS-23Jun22_update2-cpeGNU-22.08-minimal.eb │ │ └── LAMMPS-29Oct20-cpeGNU-21.08-minimal.eb │ ├── LLVM │ │ ├── LLVM-14.0.6-cpeGNU-22.08.eb │ │ └── README.md │ ├── Libint-CP2K │ │ ├── Libint-CP2K-2.6.0-cpeGNU-21.08.eb │ │ ├── Libint-CP2K-2.6.0-cpeGNU-21.12.eb │ │ ├── Libint-CP2K-2.6.0-cpeGNU-22.08.eb │ │ └── Libint-CP2K-2.6.0-cpeGNU-22.12.eb │ ├── libFLAME │ │ ├── libFLAME-3.1-cpeGNU-21.08-amd.eb │ │ ├── libFLAME-3.2-cpeAOCC-22.08-amd.eb │ │ ├── libFLAME-3.2-cpeCray-22.06-amd.eb │ │ ├── libFLAME-3.2-cpeCray-22.08-amd.eb │ │ ├── libFLAME-3.2-cpeGNU-22.06-amd.eb │ │ ├── libFLAME-3.2-cpeGNU-22.08-amd.eb │ │ ├── libFLAME-4.0-cpeAOCC-22.12-amd-ILP64.eb │ │ ├── libFLAME-4.0-cpeAOCC-22.12-amd.eb │ │ ├── libFLAME-4.0-cpeCray-22.12-amd-ILP64.eb │ │ ├── libFLAME-4.0-cpeCray-22.12-amd.eb │ │ ├── libFLAME-4.0-cpeGNU-22.12-amd-ILP64.eb │ │ └── libFLAME-4.0-cpeGNU-22.12-amd.eb │ ├── libGLU │ │ ├── LICENSE.md │ │ ├── README.md │ │ └── libGLU-9.0.2-cpeGNU-22.08.eb │ ├── libaio │ │ ├── libaio-0.3.113-cpeAMD-22.12.eb │ │ ├── libaio-0.3.113-cpeAOCC-22.12.eb │ │ ├── libaio-0.3.113-cpeCray-22.12.eb │ │ └── libaio-0.3.113-cpeGNU-22.12.eb │ ├── libdap │ │ ├── libdap-3.20.10-cpeAOCC-22.08.eb │ │ ├── libdap-3.20.10-cpeCray-22.06.eb │ │ ├── libdap-3.20.10-cpeCray-22.08.eb │ │ ├── libdap-3.20.10-cpeGNU-22.06.eb │ │ ├── libdap-3.20.10-cpeGNU-22.08.eb │ │ ├── libdap-3.20.11-cpeAOCC-22.12.eb │ │ ├── libdap-3.20.11-cpeCray-22.12.eb │ │ ├── libdap-3.20.11-cpeGNU-22.12.eb │ │ ├── libdap-3.20.8-cpeCray-21.08.eb │ │ ├── libdap-3.20.8-cpeGNU-21.08.eb │ │ ├── libdap-3.20.9-cpeAOCC-21.12.eb │ │ ├── libdap-3.20.9-cpeCray-21.12.eb │ │ └── libdap-3.20.9-cpeGNU-21.12.eb │ ├── libgeotiff │ │ └── libgeotiff-1.7.1-cpeGNU-22.08.eb │ ├── libglvnd │ │ ├── LICENSE.md │ │ ├── README.md │ │ └── libglvnd-1.4.0-cpeGNU-22.08.eb │ ├── libsodium │ │ ├── libsodium-1.0.18-cpeGNU-22.08.eb │ │ └── libsodium-1.0.18-cpeGNU-22.12.eb │ ├── libvori │ │ ├── libvori-210412-cpeGNU-21.08.eb │ │ ├── libvori-210412-cpeGNU-21.12.eb │ │ ├── libvori-220621-cpeGNU-22.08.eb │ │ └── libvori-220621-cpeGNU-22.12.eb │ ├── libxc │ │ ├── libxc-5.1.7-cpeGNU-21.08.eb │ │ ├── libxc-5.1.7-cpeGNU-21.12.eb │ │ ├── libxc-5.2.2-cpeGNU-21.12.eb │ │ ├── libxc-5.2.2-cpeGNU-22.06.eb │ │ ├── libxc-5.2.2-cpeGNU-22.08.eb │ │ ├── libxc-6.1.0-cpeGNU-22.08.eb │ │ ├── libxc-6.1.0-cpeGNU-22.12-nofhc.eb │ │ ├── libxc-6.1.0-cpeGNU-22.12.eb │ │ └── libxc-6.2.2-cpeGNU-22.12.eb │ └── libxsmm │ │ ├── libxsmm-1.17-cpeGNU-21.08.eb │ │ ├── libxsmm-1.17-cpeGNU-21.12.eb │ │ ├── libxsmm-1.17-cpeGNU-22.08.eb │ │ ├── libxsmm-1.17-cpeGNU-22.12.eb │ │ ├── libxsmm-29Dec22-cpeCray-22.08.eb │ │ └── libxsmm-29Dec22-cpeGNU-22.08.eb ├── m │ ├── MATIO │ │ ├── MATIO-1.5.23-cpeGNU-22.08.eb │ │ └── MATIO-1.5.23-cpeGNU-22.12.eb │ ├── MUMPS │ │ ├── MUMPS-5.5.1-cpeGNU-22.08.eb │ │ └── MUMPS-5.5.1-cpeGNU-22.12.eb │ ├── Mako │ │ ├── Mako-1.2.0-cpeAMD-22.08.eb │ │ ├── Mako-1.2.0-cpeCray-22.08.eb │ │ └── Mako-1.2.0-cpeGNU-22.08.eb │ ├── Mesa-demos │ │ ├── LICENSE.md │ │ ├── Mesa-demos-8.5.0-cpeGNU-22.08.eb │ │ └── README.md │ ├── Mesa │ │ ├── LICENSE.md │ │ ├── Mesa-22.2.1-cpeGNU-22.08.eb │ │ └── README.md │ └── mpiFileUtils │ │ ├── mpiFileUtils-0.11.1-cpeAMD-22.08.eb │ │ ├── mpiFileUtils-0.11.1-cpeAMD-22.12.eb │ │ ├── mpiFileUtils-0.11.1-cpeAOCC-22.08.eb │ │ ├── mpiFileUtils-0.11.1-cpeAOCC-22.12.eb │ │ ├── mpiFileUtils-0.11.1-cpeCray-22.08.eb │ │ ├── mpiFileUtils-0.11.1-cpeCray-22.12.eb │ │ ├── mpiFileUtils-0.11.1-cpeGNU-22.08.eb │ │ └── mpiFileUtils-0.11.1-cpeGNU-22.12.eb ├── n │ ├── NAMD │ │ ├── NAMD-2.14-cpeGNU-21.08-MPI.eb │ │ ├── NAMD-2.14-cpeGNU-21.12-MPI.eb │ │ └── NAMD-2.14-cpeGNU-22.08-MPI.eb │ ├── NCO │ │ ├── NCO-5.0.1-cpeCray-21.08.eb │ │ ├── NCO-5.0.1-cpeGNU-21.08.eb │ │ ├── NCO-5.0.6-cpeAOCC-21.12.eb │ │ ├── NCO-5.0.6-cpeCray-21.12.eb │ │ ├── NCO-5.0.6-cpeGNU-21.12.eb │ │ ├── NCO-5.1.0-cpeCray-22.06.eb │ │ ├── NCO-5.1.0-cpeCray-22.08.eb │ │ ├── NCO-5.1.0-cpeGNU-22.06.eb │ │ ├── NCO-5.1.0-cpeGNU-22.08.eb │ │ ├── NCO-5.1.5-cpeCray-22.12.eb │ │ └── NCO-5.1.5-cpeGNU-22.12.eb │ ├── NWChem │ │ ├── LICENSE.md │ │ ├── NWChem-7.0.2-cpeGNU-21.08.eb │ │ └── README.md │ ├── Nek5000 │ │ ├── LICENSE.md │ │ ├── Nek5000-19.0-cpeGNU-21.12.eb │ │ └── README.md │ ├── ncview │ │ ├── ncview-2.1.8-cpeAOCC-21.12.eb │ │ ├── ncview-2.1.8-cpeAOCC-22.08.eb │ │ ├── ncview-2.1.8-cpeAOCC-22.12.eb │ │ ├── ncview-2.1.8-cpeCray-21.08.eb │ │ ├── ncview-2.1.8-cpeCray-21.12.eb │ │ ├── ncview-2.1.8-cpeCray-22.06.eb │ │ ├── ncview-2.1.8-cpeCray-22.08.eb │ │ ├── ncview-2.1.8-cpeCray-22.12.eb │ │ ├── ncview-2.1.8-cpeGNU-21.08.eb │ │ ├── ncview-2.1.8-cpeGNU-21.12.eb │ │ ├── ncview-2.1.8-cpeGNU-22.06.eb │ │ ├── ncview-2.1.8-cpeGNU-22.08.eb │ │ └── ncview-2.1.8-cpeGNU-22.12.eb │ └── nlohmann-json │ │ ├── nlohmann-json-3.10.4-cpeGNU-22.08.eb │ │ └── nlohmann-json-3.11.2-cpeGNU-22.12.eb ├── o │ ├── OpenBLAS │ │ ├── OpenBLAS-0.3.20-cpeGNU-22.06.eb │ │ ├── OpenBLAS-0.3.20-cpeGNU-22.08.eb │ │ └── OpenBLAS-0.3.23-cpeGNU-22.12-ILP64.eb │ ├── OpenFOAM │ │ ├── OpenFOAM-9-cpeGNU-21.08.eb │ │ ├── OpenFOAM-9-cpeGNU-21.12.eb │ │ ├── OpenFOAM-9-cpeGNU-22.06.eb │ │ ├── OpenFOAM-9-cpeGNU-22.08.eb │ │ ├── OpenFOAM-dev-cpeGNU-24.03-20250217.eb │ │ ├── OpenFOAM-v2106-cpeGNU-21.08.eb │ │ ├── OpenFOAM-v2106-cpeGNU-22.06.eb │ │ ├── OpenFOAM-v2106-cpeGNU-22.08.eb │ │ ├── OpenFOAM-v2106-cpeGNU-22.12.eb │ │ ├── OpenFOAM-v2212-cpeGNU-22.12.eb │ │ └── wmake-rules-linux64Cray-gcc13.patch │ ├── OpenMM │ │ ├── LICENSE.md │ │ ├── OpenMM-7.5.1-cpeCray-21.08.eb │ │ ├── OpenMM-7.5.1-cpeGNU-21.08.eb │ │ ├── OpenMM-7.5.1-fix-doxygen-1.9.patch │ │ ├── OpenMM-7.7.0-cpeCray-21.12.eb │ │ ├── OpenMM-7.7.0-cpeGNU-21.12.eb │ │ └── README.md │ ├── OpenMPI │ │ ├── OpenMPI-4.1.2-cpeGNU-22.06.eb │ │ ├── OpenMPI-4.1.3-cpeGNU-22.08.eb │ │ └── OpenMPI-4.1.5-cpeGNU-22.12.eb │ └── OpenPGM │ │ ├── OpenPGM-5.2.122-cpeGNU-22.08.eb │ │ └── OpenPGM-5.2.122-cpeGNU-22.12.eb ├── p │ ├── PETSc │ │ ├── PETSc-3.17.4-cpeCray-22.08-GPU.eb │ │ ├── PETSc-3.17.4-cpeGNU-22.08-minimal.eb │ │ ├── PETSc-3.17.4-cpeGNU-22.08.eb │ │ ├── PETSc-3.19.5-cpeCray-23.09-rocm-5.6.1.eb │ │ ├── PETSc-3.19.5-cpeGNU-22.12.eb │ │ └── PETSc-3.19.5-cpeGNU-23.09-rocm-5.6.1.eb │ ├── PLUMED │ │ ├── PLUMED-2.6.4-cpeAMD-21.08.eb │ │ ├── PLUMED-2.6.4-cpeCray-21.08.eb │ │ ├── PLUMED-2.6.4-cpeGNU-21.08.eb │ │ ├── PLUMED-2.7.2-cpeAMD-21.08.eb │ │ ├── PLUMED-2.7.2-cpeCray-21.08.eb │ │ ├── PLUMED-2.7.2-cpeGNU-21.08.eb │ │ ├── PLUMED-2.7.2-cpeGNU-21.12.eb │ │ ├── PLUMED-2.7.4-cpeAOCC-21.12.eb │ │ ├── PLUMED-2.7.4-cpeCray-21.12.eb │ │ ├── PLUMED-2.7.4-cpeCray-22.06.eb │ │ ├── PLUMED-2.7.4-cpeCray-22.08-cray-python-3.9.12.1.eb │ │ ├── PLUMED-2.7.4-cpeCray-22.08-noPython.eb │ │ ├── PLUMED-2.7.4-cpeCray-22.08.eb │ │ ├── PLUMED-2.7.4-cpeGNU-21.12.eb │ │ ├── PLUMED-2.7.4-cpeGNU-22.06.eb │ │ ├── PLUMED-2.7.4-cpeGNU-22.08-cray-python-3.9.12.1.eb │ │ ├── PLUMED-2.7.4-cpeGNU-22.08-noPython.eb │ │ ├── PLUMED-2.7.4-cpeGNU-22.08.eb │ │ ├── PLUMED-2.8.0-cpeAOCC-21.12.eb │ │ ├── PLUMED-2.8.0-cpeCray-21.12.eb │ │ ├── PLUMED-2.8.0-cpeCray-22.06.eb │ │ ├── PLUMED-2.8.0-cpeCray-22.08-cray-python-3.9.12.1.eb │ │ ├── PLUMED-2.8.0-cpeCray-22.08-noPython.eb │ │ ├── PLUMED-2.8.0-cpeCray-22.08.eb │ │ ├── PLUMED-2.8.0-cpeGNU-21.12.eb │ │ ├── PLUMED-2.8.0-cpeGNU-22.06.eb │ │ ├── PLUMED-2.8.0-cpeGNU-22.08-cray-python-3.9.12.1.eb │ │ ├── PLUMED-2.8.0-cpeGNU-22.08-noPython.eb │ │ ├── PLUMED-2.8.0-cpeGNU-22.08.eb │ │ ├── PLUMED-2.8.3-cpeGNU-22.12-noPython.eb │ │ ├── PLUMED-2.9.2-cpeAMD-24.03-noPython.eb │ │ ├── PLUMED-2.9.2-cpeCray-24.03-noPython.eb │ │ ├── PLUMED-2.9.2-cpeGNU-24.03-cray-python-3.11.7.eb │ │ └── PLUMED-2.9.2-cpeGNU-24.03-noPython.eb │ ├── PROJ │ │ ├── PROJ-9.1.1-cpeGNU-22.08.eb │ │ └── README.md │ ├── ParaView │ │ ├── LICENSE.md │ │ ├── ParaView-5.10.1-cpeGNU-22.08.eb │ │ ├── ParaView-5.10.1_fix_FFmpeg_5.x_API_change.patch │ │ ├── README.md │ │ ├── USER.md │ │ └── files │ │ │ ├── paraview-connect-dialog.png │ │ │ ├── paraview-connect-info.png │ │ │ ├── paraview-connect-menu.png │ │ │ ├── paraview-connect-server-conf.png │ │ │ ├── paraview-connect.png │ │ │ ├── paraview-step1.png │ │ │ ├── paraview-step2.png │ │ │ └── paraview-step3.png │ ├── PyFR │ │ ├── PyFR-1.15.0-cpeAMD-22.08-GPU.eb │ │ ├── PyFR-1.15.0-cpeCray-22.08-CPU.eb │ │ ├── PyFR-1.15.0-cpeCray-22.08-GPU.eb │ │ ├── PyFR-1.15.0-cpeGNU-22.08-CPU.eb │ │ └── PyFR-1.15.0-cpeGNU-22.08-GPU.eb │ └── PyTorch │ │ └── PyTorch-1.12.1-cpeGNU-22.08.eb ├── q │ ├── QUDA │ │ └── QUDA-0a31b22-cpeAMD-22.09-GPU.eb │ ├── QuEST │ │ ├── QuEST-3.3.0-cpeGNU-21.08-hybrid-prec2.eb │ │ ├── QuEST-3.3.0-cpeGNU-22.06-hybrid-prec2.eb │ │ ├── QuEST-3.3.0-cpeGNU-22.08-hybrid-prec2.eb │ │ └── QuEST_CMakeLists-3.3.0.txt │ └── QuantumESPRESSO │ │ ├── QuantumESPRESSO-6.8.0-cpeGNU-21.08.eb │ │ ├── QuantumESPRESSO-7.0-cpeGNU-21.12.eb │ │ ├── QuantumESPRESSO-7.1-cpeGNU-22.06.eb │ │ ├── QuantumESPRESSO-7.1-cpeGNU-22.08.eb │ │ └── QuantumESPRESSO-7.2-cpeGNU-22.12.eb ├── r │ ├── R │ │ ├── R-4.2.1-cpeGNU-22.06-raw.eb │ │ ├── R-4.2.1-cpeGNU-22.06.eb │ │ ├── R-4.2.1-cpeGNU-22.08-raw.eb │ │ ├── R-4.2.1-cpeGNU-22.08.eb │ │ ├── R-4.2.3-cpeGNU-22.12-raw.eb │ │ ├── R-4.2.3-cpeGNU-22.12.eb │ │ ├── R-4.3.1-cpeGNU-22.12-raw.eb │ │ ├── R-4.3.1-cpeGNU-22.12.eb │ │ ├── Rmpi-0.6-9.2_Cray.patch │ │ └── Rmpi-0.7-1_Cray.patch │ ├── RSPt │ │ ├── LICENSE.md │ │ ├── README.md │ │ ├── RSPTmake.inc │ │ ├── RSPt-20211004-cpeGNU-21.12.eb │ │ ├── RSPt-20211004-cpeGNU-22.06.eb │ │ ├── RSPt-20211004-cpeGNU-22.08.eb │ │ ├── RSPt-20230120-cpeGNU-22.06.eb │ │ └── RSPt-20230120-cpeGNU-22.12.eb │ ├── rccl │ │ ├── README.md │ │ └── rccl-2.12.7-cpeGNU-22.08.eb │ └── rclone │ │ ├── LICENSE.md │ │ ├── README.md │ │ ├── rclone-1.57.0.eb │ │ └── rclone-1.59.0.eb ├── s │ ├── SAMtools │ │ ├── SAMtools-1.14-cpeGNU-21.12.eb │ │ ├── SAMtools-1.15.1-cpeGNU-21.12.eb │ │ ├── SAMtools-1.15.1-cpeGNU-22.06.eb │ │ ├── SAMtools-1.15.1-cpeGNU-22.08.eb │ │ └── SAMtools-1.17-cpeGNU-22.12.eb │ ├── SCOTCH │ │ └── SCOTCH-7.0.3-cpeGNU-22.12-int64.eb │ ├── SIRIUS │ │ ├── LICENSE.md │ │ ├── README.md │ │ └── SIRIUS-7.2.7-cpeGNU-21.08.eb │ ├── SPLA │ │ ├── SPLA-1.5.1-cpeGNU-21.08.eb │ │ └── SPLA-1.5.4-cpeGNU-22.08-GPU.eb │ ├── STRUMPACK │ │ ├── STRUMPACK-6.3.1-cpeGNU-22.08-CPU.eb │ │ └── STRUMPACK-6.3.1-cpeGNU-22.08-GPU.eb │ ├── SWIG │ │ ├── SWIG-4.0.2-cpeCray-21.08.eb │ │ ├── SWIG-4.0.2-cpeCray-21.12.eb │ │ ├── SWIG-4.0.2-cpeGNU-21.08.eb │ │ └── SWIG-4.0.2-cpeGNU-21.12.eb │ ├── SZ │ │ ├── SZ-2.1.12-cpeGNU-22.08.eb │ │ └── SZ-2.1.12-cpeGNU-22.12.eb │ ├── ScaLAPACK │ │ ├── ScaLAPACK-3.1-cpeGNU-21.08-amd.eb │ │ ├── ScaLAPACK-3.2-cpeAOCC-22.08-amd.eb │ │ ├── ScaLAPACK-3.2-cpeCray-22.06-amd.eb │ │ ├── ScaLAPACK-3.2-cpeGNU-22.06-amd.eb │ │ ├── ScaLAPACK-3.2-cpeGNU-22.08-amd.eb │ │ ├── ScaLAPACK-4.0-cpeAOCC-22.12-amd.eb │ │ └── ScaLAPACK-4.0-cpeGNU-22.12-amd.eb │ ├── Scalasca │ │ ├── Scalasca-2.6-cpeCray-21.08.eb │ │ ├── Scalasca-2.6-cpeGNU-21.08.eb │ │ └── Scalasca-2.6-cpeGNU-21.12.eb │ ├── Siesta │ │ └── Siesta-4.1.5-cpeGNU-22.12-CPU.eb │ ├── SpFFT │ │ ├── SpFFT-1.0.5-cpeGNU-21.08.eb │ │ └── SpFFT-1.0.6-cpeGNU-22.08-GPU.eb │ ├── SuperLU │ │ └── SuperLU-6.0.0-cpeGNU-22.12-OpenMP.eb │ ├── SuperLU_DIST │ │ ├── SuperLU_DIST-7.2.0-cpeGNU-22.08-CPU.eb │ │ ├── SuperLU_DIST-8.1.2-cpeGNU-22.08.eb │ │ └── SuperLU_DIST-8.1.2-cpeGNU-22.12-OpenMP.eb │ ├── singularity-bindings-system │ │ ├── singularity-bindings-system-cpeGNU-21.08.eb │ │ └── singularity-bindings-system-cpeGNU-21.12.eb │ ├── singularity-bindings │ │ ├── singularity-bindings-system-cpeGNU-22.06.eb │ │ ├── singularity-bindings-system-cpeGNU-22.08-noglibc.eb │ │ └── singularity-bindings-system-cpeGNU-22.08.eb │ └── spglib │ │ ├── spglib-1.16.0-cpeGNU-21.08.eb │ │ ├── spglib-1.16.3-cpeGNU-21.08.eb │ │ ├── spglib-1.16.3-cpeGNU-21.12.eb │ │ ├── spglib-1.16.3-cpeGNU-22.08.eb │ │ └── spglib-1.16.3-cpeGNU-22.12.eb ├── t │ └── Trilinos │ │ ├── Trilinos-12.18.1-cpeGNU-22.12.eb │ │ ├── Trilinos-13.4.1-cpeGNU-22.08.eb │ │ ├── trilinos-amesos-superlu-dist-6.4.patch │ │ ├── trilinos-amesos2-adapters-cce.patch │ │ ├── trilinos-boostlib-tpl-lib-list.patch │ │ ├── trilinos-fei-test-utils.patch │ │ ├── trilinos-stk-platform.patch │ │ └── trilinos-stk-util-env.patch ├── u │ └── UppASD │ │ ├── UppASD-6.0.2-cpeAOCC-22.12.eb │ │ ├── UppASD-6.0.2-cpeGNU-22.06.eb │ │ ├── UppASD-6.0.2-cpeGNU-22.08.eb │ │ └── UppASD-6.0.2-cpeGNU-22.12.eb ├── v │ ├── VASP │ │ ├── POTCAR-readonly.patch │ │ ├── VASP-5.4.4.pl2-cpeGNU-21.08.eb │ │ ├── VASP-5.4.4.pl2-cpeGNU-21.12.eb │ │ ├── VASP-5.4.4.pl2-cpeGNU-22.08.eb │ │ ├── VASP-5.4.4.pl2.build02-cpeGNU-22.08.eb │ │ ├── VASP-6.2.1-cpeGNU-21.08.eb │ │ ├── VASP-6.2.1-cpeGNU-21.09.eb │ │ ├── VASP-6.3.0-cpeGNU-21.08.eb │ │ ├── VASP-6.3.0-cpeGNU-21.12.eb │ │ ├── VASP-6.3.0-cpeGNU-22.06.eb │ │ ├── VASP-6.3.2-cpeGNU-22.06.eb │ │ ├── VASP-6.3.2-cpeGNU-22.08.eb │ │ ├── VASP-6.3.2-cpeGNU-22.12.eb │ │ ├── VASP-6.3.2.build02-cpeGNU-22.08.eb │ │ ├── VASP-6.4.1-cpeGNU-22.12-build01.eb │ │ ├── VASP-6.4.1-cpeGNU-22.12-build02.eb │ │ ├── build02.patch │ │ ├── makefile.include.VASP-5.4.4.pl2-cpeGNU-21.08 │ │ ├── makefile.include.VASP-5.4.4.pl2-cpeGNU-21.12 │ │ ├── makefile.include.VASP-5.4.4.pl2-cpeGNU-22.08 │ │ ├── makefile.include.VASP-5.4.4.pl2.build02-cpeGNU-22.08 │ │ ├── makefile.include.VASP-6.2.1-cpeGNU-21.08 │ │ ├── makefile.include.VASP-6.2.1-cpeGNU-21.09 │ │ ├── makefile.include.VASP-6.3.0-cpeGNU-21.08 │ │ ├── makefile.include.VASP-6.3.0-cpeGNU-21.12 │ │ ├── makefile.include.VASP-6.3.0-cpeGNU-22.06 │ │ ├── makefile.include.VASP-6.3.2-cpeGNU-22.06 │ │ ├── makefile.include.VASP-6.3.2-cpeGNU-22.08 │ │ ├── makefile.include.VASP-6.3.2-cpeGNU-22.12 │ │ ├── makefile.include.VASP-6.3.2.build02-cpeGNU-22.08 │ │ ├── makefile.include.VASP-6.4.1-cpeGNU-22.12-build01 │ │ └── makefile.include.VASP-6.4.1-cpeGNU-22.12-build02 │ └── VCFtools │ │ ├── VCFtools-0.1.16-cpeGNU-21.12.eb │ │ ├── VCFtools-0.1.16-cpeGNU-22.06.eb │ │ └── VCFtools-0.1.16-cpeGNU-22.08.eb ├── w │ ├── WPS │ │ ├── WPS-4.3.1-cpeGNU-21.12.eb │ │ ├── WPS-4.3.1-cpeGNU-22.06.eb │ │ └── WPS-4.3.1-cpeGNU-22.08.eb │ ├── WRF │ │ ├── LICENSE.md │ │ ├── README.md │ │ ├── WRF-4.3.3-cpeGNU-21.12-chem.eb │ │ ├── WRF-4.3.3-cpeGNU-22.06-chem.eb │ │ └── WRF-4.3.3-cpeGNU-22.08-chem.eb │ ├── Wannier90 │ │ ├── Wannier90-3.1.0-cpeGNU-21.08.eb │ │ ├── Wannier90-3.1.0-cpeGNU-21.12.eb │ │ ├── Wannier90-3.1.0-cpeGNU-22.06.eb │ │ ├── Wannier90-3.1.0-cpeGNU-22.08.eb │ │ └── Wannier90-3.1.0-cpeGNU-22.12.eb │ └── wheel │ │ ├── wheel-0.37.0-cpeGNU-22.08.eb │ │ ├── wheel-0.37.1-cpeAMD-22.08-cray-python3.9.eb │ │ ├── wheel-0.37.1-cpeCray-22.08-cray-python3.9.eb │ │ ├── wheel-0.37.1-cpeGNU-22.08-cray-python3.9.eb │ │ ├── wheel-0.38.4-cpeAMD-22.12-cray-python3.9.eb │ │ ├── wheel-0.38.4-cpeCray-22.12-cray-python3.9.eb │ │ └── wheel-0.38.4-cpeGNU-22.12-cray-python3.9.eb ├── x │ └── xterm │ │ ├── LICENSE.md │ │ ├── README.md │ │ ├── xterm-372j-cpeAOCC-22.08.eb │ │ ├── xterm-372j-cpeCray-22.06.eb │ │ ├── xterm-372j-cpeCray-22.08.eb │ │ ├── xterm-372j-cpeGNU-22.06.eb │ │ └── xterm-372j-cpeGNU-22.08.eb ├── y │ ├── YAXT │ │ ├── README.md │ │ ├── YAXT-0.9.1-cpeCray-21.08.eb │ │ └── YAXT-0.9.1-cpeGNU-21.08.eb │ └── yaml-cpp │ │ ├── yaml-cpp-0.7.0-cpeGNU-22.12.eb │ │ └── yaml-cpp-0.7.0_fix-cmake-export.patch └── z │ ├── ZeroMQ │ ├── ZeroMQ-4.3.4-cpeGNU-22.08.eb │ └── ZeroMQ-4.3.4-cpeGNU-22.12.eb │ └── zfp │ └── zfp-0.5.5-cpeGNU-22.08.eb ├── a ├── ADIOS2 │ ├── ADIOS2-2.10.1-cpeGNU-24.03-hdf5-parallel.eb │ ├── ADIOS2-2.10.1-cpeGNU-24.03.eb │ ├── ADIOS2-2.9.1-cpeGNU-23.09.eb │ ├── LICENSE.md │ └── README.md ├── ANTLR │ ├── ANTLR-2.7.7-cpeAOCC-23.03-python3.eb │ ├── ANTLR-2.7.7-cpeCray-23.03-python3.eb │ ├── ANTLR-2.7.7-cpeCray-23.09-python3.eb │ ├── ANTLR-2.7.7-cpeCray-24.03-cray-python3.11.eb │ ├── ANTLR-2.7.7-cpeGNU-23.03-python3.eb │ ├── ANTLR-2.7.7-cpeGNU-23.09-python3.eb │ ├── ANTLR-2.7.7-cpeGNU-24.03-cray-python3.11.eb │ ├── ANTLR-2.7.7_includes.patch │ ├── LICENSE.md │ └── README.md ├── AdaptiveCpp │ ├── AdaptiveCpp-23.10.0-cpeAMD-23.09-rocm.eb │ ├── AdaptiveCpp-24.06.0-cpeAMD-24.03-rocm.eb │ ├── AdaptiveCpp-24.10.0-cpeAMD-24.03-rocm.eb │ ├── LICENSE.md │ ├── README.md │ └── acpp-23.10-hip-allocator.patch ├── Amber │ ├── Amber-22_remove_undeclared_redundant_variable.patch │ ├── Amber-24.0-cpeGNU-24.03-AmberTools-24.0-rocm-cray-python-3.11.7.eb │ ├── Amber-24.0-cpeGNU-24.03-AmberTools-24.0-rocm.eb │ ├── Amber-24_cusparse_LinearSolvers_ugly_fix.patch │ ├── Amber-24_remove_open-pal-link.patch │ ├── AmberTools-20_fix_missing_MPI_LIBRARY_error.patch │ ├── AmberTools-24_pythonbuild_dirty_hack.patch │ ├── LICENSE.md │ ├── README.md │ └── USER.md ├── amd-aocl │ ├── README.md │ ├── amd-aocl-4.2-cpeCray-23.12.eb │ ├── amd-aocl-4.2-cpeCray-24.03.eb │ ├── amd-aocl-4.2-cpeGNU-23.12.eb │ └── amd-aocl-4.2-cpeGNU-24.03.eb ├── aocl-utils │ ├── LICENSE.md │ ├── README.md │ ├── aocl-utils-4.2-cpeCray-23.12.eb │ ├── aocl-utils-4.2-cpeCray-24.03.eb │ ├── aocl-utils-4.2-cpeGNU-23.12.eb │ └── aocl-utils-4.2-cpeGNU-24.03.eb ├── aria2 │ ├── LICENSE.md │ ├── README.md │ ├── aria2-1.36-cpeAMD-23.09.eb │ ├── aria2-1.36-cpeAOCC-23.09.eb │ ├── aria2-1.36-cpeCray-23.09.eb │ ├── aria2-1.36-cpeGNU-23.09.eb │ ├── aria2-1.37-cpeAMD-24.03.eb │ ├── aria2-1.37-cpeAOCC-24.03.eb │ ├── aria2-1.37-cpeCray-24.03.eb │ └── aria2-1.37-cpeGNU-24.03.eb ├── arpack-ng │ ├── LICENSE.md │ ├── README.md │ └── arpack-ng-3.9.1-cpeGNU-24.03-OpenMP.eb └── aws-ofi-rccl │ ├── LICENSE.md │ ├── README.md │ └── aws-ofi-rccl-17d41cb-cpeGNU-24.03.eb ├── b ├── BCFtools │ ├── BCFtools-1.18-cpeGNU-23.09.eb │ ├── BCFtools-1.19-cpeGNU-24.03.eb │ ├── LICENSE.md │ └── README.md └── BLIS │ ├── BLIS-4.0-cpeCray-23.03-amd-ILP64.eb │ ├── BLIS-4.0-cpeCray-23.03-amd.eb │ ├── BLIS-4.2-cpeCray-23.12-amd-ILP64.eb │ ├── BLIS-4.2-cpeCray-23.12-amd.eb │ ├── BLIS-4.2-cpeCray-24.03-amd-ILP64.eb │ ├── BLIS-4.2-cpeCray-24.03-amd.eb │ ├── BLIS-4.2-cpeGNU-23.12-amd-ILP64.eb │ ├── BLIS-4.2-cpeGNU-23.12-amd.eb │ ├── BLIS-4.2-cpeGNU-24.03-amd-ILP64.eb │ ├── BLIS-4.2-cpeGNU-24.03-amd.eb │ ├── LICENSE.md │ └── README.md ├── c ├── CDO │ ├── CDO-2.2.0-cpeCray-23.03.eb │ ├── CDO-2.3.0-cpeCray-23.09.eb │ ├── CDO-2.3.0-cpeGNU-23.09.eb │ ├── CDO-2.4.3-cpeCray-24.03.eb │ ├── CDO-2.4.3-cpeGNU-24.03.eb │ ├── LICENSE.md │ └── README.md ├── CGAL │ ├── CGAL-4.12.2-cpeGNU-23.09-OpenFOAM.eb │ ├── CGAL-5.6.3-cpeGNU-24.03-OpenFOAM.eb │ ├── LICENSE.md │ └── README.md ├── CMOR │ ├── CMOR-3.7.2-cpeCray-23.03.eb │ ├── CMOR-3.7.3-cpeCray-23.09.eb │ ├── CMOR-3.7.3-cpeGNU-23.09.eb │ ├── CMOR-3.8.0-cpeCray-24.03.eb │ ├── CMOR-3.8.0-cpeGNU-24.03.eb │ ├── LICENSE.md │ └── README.md ├── COSMA │ ├── COSMA-2.6.6-cpeGNU-23.09-rocm.eb │ ├── COSMA-2.6.6-cpeGNU-23.12-rocm.eb │ ├── COSMA-2.6.6-cpeGNU-24.03-CPU.eb │ ├── COSMA-2.6.6-cpeGNU-24.03-rocm.eb │ ├── LICENSE.md │ └── README.md ├── CP2K │ ├── CP2K-2024.1-cpeGNU-23.09-rocm.eb │ ├── CP2K-2024.2-cpeGNU-24.03-CPU.eb │ ├── CP2K-2024.2-cpeGNU-24.03-libcp2k-CPU.eb │ ├── CP2K-2024.2-cpeGNU-24.03-rocm.eb │ ├── LICENSE.md │ ├── LUMIC-20242.psmp │ ├── LUMIG-20241.psmp │ ├── LUMIG-20242.psmp │ ├── README.md │ └── USER.md ├── Catalyst │ ├── Catalyst-2.0.0-cpeGNU-24.03.eb │ ├── LICENSE.md │ └── README.md ├── Celerity │ ├── Celerity-0.6.0-cpeAMD-24.03.eb │ ├── LICENSE.md │ ├── README.md │ └── celerity-runtime-MPICH.patch ├── Charm++ │ ├── Charm++-6.10.2-cpeGNU-23.09-MPI.eb │ ├── Charm++-7.0.0-cpeAMD-23.09-multicore.eb │ ├── Charm++-8.0.0-cpeGNU-24.03-mpi-crayshasta-smp.eb │ ├── Charm++-8.0.0-cpeGNU-24.03-mpi-crayshasta.eb │ ├── Charm++-8.0.0-cpeGNU-24.03-multicore.eb │ ├── Charm++-8.0.0-cpeGNU-24.03-ofi-crayshasta.eb │ ├── LICENSE.md │ ├── README.md │ └── charmpp-800-cmake.patch ├── Conduit │ ├── Conduit-0.9.2-cpeGNU-24.03.eb │ ├── Conduit-0.9.2_no-mpicxx.patch │ ├── LICENSE.md │ └── README.md ├── CppUnit │ ├── CppUnit-1.15.1-cpeAMD-23.09.eb │ ├── CppUnit-1.15.1-cpeAMD-24.03.eb │ ├── CppUnit-1.15.1-cpeAOCC-23.09.eb │ ├── CppUnit-1.15.1-cpeAOCC-24.03.eb │ ├── CppUnit-1.15.1-cpeCray-23.09.eb │ ├── CppUnit-1.15.1-cpeCray-24.03.eb │ ├── CppUnit-1.15.1-cpeGNU-23.09.eb │ ├── CppUnit-1.15.1-cpeGNU-24.03.eb │ ├── LICENSE.md │ └── README.md ├── CuPy │ ├── CuPy-12.2.0-cpeGNU-23.09-rocm.eb │ ├── CuPy-12.2.0-cpeGNU-24.03-rocm.eb │ ├── CuPy-12.2.0_rocm-6.patch │ ├── CuPy-13.2.0-cpeGNU-24.03-rocm.eb │ ├── CuPy-13.2.0-cpeGNU-24.03-rocm6.2.2.eb │ ├── CuPy-13.2.0_rocm-6.patch │ ├── CuPy-13.4.1-cpeGNU-24.03-rocm-6.2.2.eb │ ├── LICENSE.md │ └── README.md ├── CubeLib │ ├── CubeLib-4.8.2-cpeAMD-23.09.eb │ ├── CubeLib-4.8.2-cpeAMD-24.03.eb │ ├── CubeLib-4.8.2-cpeAOCC-23.09.eb │ ├── CubeLib-4.8.2-cpeAOCC-24.03.eb │ ├── CubeLib-4.8.2-cpeCray-23.09.eb │ ├── CubeLib-4.8.2-cpeCray-24.03.eb │ ├── CubeLib-4.8.2-cpeGNU-23.09.eb │ ├── CubeLib-4.8.2-cpeGNU-24.03.eb │ ├── CubeLib-4.9-cpeAMD-24.03.eb │ ├── CubeLib-4.9-cpeAOCC-24.03.eb │ ├── CubeLib-4.9-cpeCray-24.03.eb │ ├── CubeLib-4.9-cpeGNU-24.03.eb │ ├── LICENSE.md │ └── README.md ├── CubeWriter │ ├── CubeWriter-4.8.2-cpeAMD-23.09.eb │ ├── CubeWriter-4.8.2-cpeAMD-24.03.eb │ ├── CubeWriter-4.8.2-cpeAOCC-23.09.eb │ ├── CubeWriter-4.8.2-cpeAOCC-24.03.eb │ ├── CubeWriter-4.8.2-cpeCray-23.09.eb │ ├── CubeWriter-4.8.2-cpeCray-24.03.eb │ ├── CubeWriter-4.8.2-cpeGNU-23.09.eb │ ├── CubeWriter-4.8.2-cpeGNU-24.03.eb │ ├── CubeWriter-4.9-cpeAMD-24.03.eb │ ├── CubeWriter-4.9-cpeAOCC-24.03.eb │ ├── CubeWriter-4.9-cpeCray-24.03.eb │ ├── CubeWriter-4.9-cpeGNU-24.03.eb │ ├── LICENSE.md │ └── README.md ├── Cython │ ├── Cython-3.0.10-cpeGNU-24.03.eb │ ├── LICENSE.md │ └── README.md └── c-ares │ ├── LICENSE.md │ ├── README.md │ ├── c-ares-1.21.0-cpeAMD-23.09.eb │ ├── c-ares-1.21.0-cpeAOCC-23.09.eb │ ├── c-ares-1.21.0-cpeCray-23.09.eb │ ├── c-ares-1.21.0-cpeGNU-23.09.eb │ ├── c-ares-1.27.0-cpeAMD-24.03.eb │ ├── c-ares-1.27.0-cpeAOCC-24.03.eb │ ├── c-ares-1.27.0-cpeCray-24.03.eb │ └── c-ares-1.27.0-cpeGNU-24.03.eb ├── d ├── DFTD4 │ ├── DFTD4-3.4.0-cpeGNU-23.09.eb │ ├── DFTD4-3.4.0-cpeGNU-24.03.eb │ ├── LICENSE.md │ └── README.md ├── DL_POLY_4 │ ├── DL_POLY_4-5.1.0-cpeGNU-23.09.eb │ ├── DL_POLY_4-5.1.0-pre-cpeCray-23.09.eb │ ├── DL_POLY_4-5.2.0-pre-cpeGNU-23.09.eb │ ├── LICENSE.md │ ├── README.md │ └── USER.md └── DeepSpeed │ ├── LICENSE.md │ ├── README.md │ └── USER.md ├── e ├── ELPA │ ├── ELPA-2023.05.001-cpeGNU-23.09-CPU.eb │ ├── ELPA-2023.11.001-cpeGNU-23.09-rocm.eb │ ├── ELPA-2024.05.001-cpeCray-24.03-rocm.eb │ ├── ELPA-2024.05.001-cpeGNU-24.03-CPU.eb │ ├── ELPA-2024.05.001-cpeGNU-24.03-rocm.eb │ ├── ELPA-2025.06.001-cpeGNU-24.03-rocm.eb │ ├── README.md │ ├── elpa-2023.05.01.patch │ ├── elpa-2023.11.001_rocm6.patch │ ├── elpa-2023.11.01-hiputils.patch │ ├── elpa-2023.11.01-stream-create.patch │ ├── elpa-2023.11.01.patch │ └── elpa-2024.05.001-cray-ftn.patch ├── ESMF │ ├── ESMF-8.8.0-cpeGNU-24.03-MPI-PIO.eb │ └── README.md ├── Elk │ ├── Elk-10.3.12-cpeGNU-24.03.eb │ ├── LICENSE.md │ ├── README.md │ └── USER.md ├── eb-tutorial │ ├── LICENSE.md │ ├── README.md │ ├── USER.md │ ├── eb-tutorial-1.0.1-cpeAOCC-24.03.eb │ ├── eb-tutorial-1.0.1-cpeCray-24.03.eb │ └── eb-tutorial-1.0.1-cpeGNU-24.03.eb └── ecCodes │ ├── LICENSE.md │ ├── README.md │ ├── ecCodes-2.30.0-cpeCray-23.03.eb │ ├── ecCodes-2.32.0-cpeCray-23.09.eb │ ├── ecCodes-2.32.0-cpeGNU-23.09.eb │ ├── ecCodes-2.35.1-cpeCray-24.03.eb │ └── ecCodes-2.35.1-cpeGNU-24.03.eb ├── f ├── FUSE │ ├── FUSE-2.9.9.eb │ ├── LICENSE.md │ └── README.md ├── feh │ ├── LICENSE.md │ ├── README.md │ ├── feh-2.26-cpeGNU-24.03.eb │ └── feh-3.10.3-cpeGNU-24.03.eb └── fpocket │ ├── LICENSE.md │ ├── README.md │ ├── USER.md │ ├── fpocket-4.2.2-cpeGNU-24.03.eb │ └── fpocket-4.2.2_Cray_makefiles.patch ├── g ├── GDAL │ ├── GDAL-3.5.3-cpeGNU-23.09-cray-python-3.10.10.eb │ ├── GDAL-3.5.3-cpeGNU-23.09-noPython.eb │ ├── GDAL-3.9.0-cpeGNU-24.03-cray-python-3.11.7.eb │ ├── GDAL-3.9.0-cpeGNU-24.03-noPython.eb │ ├── GDAL-3.9.0_cmake-hdf5-target.patch │ ├── LICENSE.md │ ├── README.md │ └── USER.md ├── GEOS │ ├── GEOS-3.12.1-cpeGNU-23.09.eb │ ├── GEOS-3.12.1-cpeGNU-24.03.eb │ ├── LICENSE.md │ └── README.md ├── GOTCHA │ ├── GOTCHA-1.0.8-cpeAMD-24.03.eb │ ├── GOTCHA-1.0.8-cpeAOCC-24.03.eb │ ├── GOTCHA-1.0.8-cpeCray-24.03.eb │ ├── GOTCHA-1.0.8-cpeGNU-24.03.eb │ ├── LICENSE.md │ └── README.md ├── GPAW │ ├── GPAW-24.1.0-cpeGNU-23.09-rocm.eb │ ├── GPAW-24.6.0-cpeGNU-24.03-rocm.eb │ ├── GPAW-24.6.0-cpeGNU-24.03.eb │ ├── GPAW-24.6.0-fix-ase-version.patch │ ├── GPAW-24.6.0-fix-cupy-cublas.patch │ ├── GPAW-24.6.0-fix-gpu-select.patch │ ├── GPAW-24.6.0-siteconfig-cpu.patch │ ├── GPAW-24.6.0-siteconfig-gpu.patch │ ├── GPAW-25.1.0-cpeGNU-24.03.eb │ ├── GPAW-25.1.0-fix-ase-version.patch │ ├── GPAW-25.1.0-siteconfig-cpu.patch │ ├── GPAW-25.1.0-test-gauss-func.patch │ ├── GPAW-25.1.0-test-nosave-projections.patch │ ├── LICENSE.md │ └── README.md ├── GROMACS │ ├── GROMACS-2021.7-cpeGNU-23.09-CPU.eb │ ├── GROMACS-2021.7-cpeGNU-23.09-PLUMED-2.8.3-noPython-CPU.eb │ ├── GROMACS-2021.7-cpeGNU-23.09-PLUMED-2.9.0-noPython-CPU.eb │ ├── GROMACS-2022.5-cpeGNU-23.09-PLUMED-2.8.3-noPython-CPU.eb │ ├── GROMACS-2022.5-cpeGNU-23.09-PLUMED-2.9.0-noPython-CPU.eb │ ├── GROMACS-2022.6-cpeCray-23.09-CPU.eb │ ├── GROMACS-2022.6-cpeGNU-23.09-CPU.eb │ ├── GROMACS-2023.3-cpeCray-23.09-CPU.eb │ ├── GROMACS-2023.3-cpeGNU-23.09-CPU.eb │ ├── GROMACS-2024.1-cpeAMD-23.09-HeFFTe-rocm.eb │ ├── GROMACS-2024.1-cpeAMD-23.09-VkFFT-rocm.eb │ ├── GROMACS-2024.3-cpeAMD-24.03-HeFFTe-rocm.eb │ ├── GROMACS-2024.3-cpeAMD-24.03-PLUMED-2.9.3-noPython-rocm.eb │ ├── GROMACS-2024.3-cpeAMD-24.03-rocm.eb │ ├── GROMACS-2024.3-cpeCray-24.03-CPU.eb │ ├── GROMACS-2024.3-cpeCray-24.03-PLUMED-2.9.3-noPython-CPU.eb │ ├── GROMACS-2024.3-cpeGNU-24.03-CPU.eb │ ├── GROMACS-2024.3-cpeGNU-24.03-PLUMED-2.9.3-cray-python-3.11.7-CPU.eb │ ├── GROMACS-2024.3-cpeGNU-24.03-PLUMED-2.9.3-noPython-CPU.eb │ ├── GROMACS-2024.3-cpeGNU-24.03-QMMM-PLUMED-2.9.3-noPython-CPU.eb │ ├── GROMACS-2025.1-cpeAMD-24.03-HeFFTe-rocm.eb │ ├── GROMACS-2025.1-cpeAMD-24.03-VkFFT-rocm.eb │ ├── GROMACS-2025.1-cpeGNU-24.03-CPU.eb │ ├── LICENSE.md │ ├── README.md │ ├── USER.md │ └── gromacs_cmake_manage_sycl.patch └── git-lfs │ ├── LICENSE.md │ ├── README.md │ ├── git-lfs.3.3.0.eb │ └── git-lfs.3.4.0.eb ├── h ├── HDF │ ├── HDF-4.2.16-2-cpeGNU-23.09.eb │ ├── HDF-4.2.16-2-cpeGNU-24.03.eb │ ├── LICENSE.md │ └── README.md ├── HTSlib │ ├── HTSlib-1.18-cpeGNU-23.09.eb │ ├── HTSlib-1.19.1-cpeGNU-24.03.eb │ ├── LICENSE.md │ └── README.md ├── HeFFTe │ ├── HeFFTe-2.4.0-cpeAMD-23.09-rocm.eb │ └── HeFFTe-2.4.0-cpeAMD-24.03-rocm.eb ├── HyperQueue │ ├── HyperQueue-0.16.0.eb │ ├── HyperQueue-0.17.0.eb │ ├── HyperQueue-0.19.0.eb │ ├── LICENSE.md │ ├── README.md │ └── USER.md ├── Hypre │ ├── Hypre-2.26.0-cpeGNU-23.09.eb │ ├── Hypre-2.31.0-cpeGNU-24.03.eb │ ├── LICENSE.md │ └── README.md ├── h5py │ ├── LICENSE.md │ ├── README.md │ ├── h5py-3.11.0-cpeGNU-24.03-parallel.eb │ └── h5py-3.11.0-cpeGNU-24.03.eb ├── hipfort │ ├── LICENSE.md │ ├── README.md │ ├── hipfort-0.4-0-cpeCray-23.09.eb │ ├── hipfort-0.4-0-cpeCray-23.12.eb │ ├── hipfort-0.4-0-cpeCray-24.03.eb │ └── hipfort-0.4-0_remove-outofplace.patch └── hpcat │ ├── README.md │ ├── USER.md │ └── hpcat-0.1-cpeCray-24.03.eb ├── i ├── Imlib2 │ ├── Imlib2-1.12.3-cpeGNU-24.03.eb │ ├── Imlib2-1.5.1-cpeGNU-24.03.eb │ ├── LICENSE.md │ └── README.md └── Info-ZIP │ ├── Info-ZIP-3.0-6.0-cpeGNU-23.09.eb │ ├── Info-ZIP-3.0-6.0-cpeGNU-24.03.eb │ ├── LICENSE.md │ ├── README.md │ └── UnZip-6.0_various-security-and-other-fixes-from-Ubuntu.patch ├── j ├── Java │ ├── Java-11.0.21.eb │ ├── Java-11.eb │ ├── Java-17.0.9.eb │ ├── Java-17.eb │ ├── Java-21.0.1.eb │ ├── Java-21.eb │ ├── LICENSE.md │ ├── README.md │ └── USER.md ├── json-c │ ├── LICENSE.md │ ├── README.md │ ├── json-c-0.16-cpeAOCC-23.03.eb │ ├── json-c-0.16-cpeAOCC-23.09.eb │ ├── json-c-0.16-cpeCray-23.03.eb │ ├── json-c-0.16-cpeCray-23.09.eb │ ├── json-c-0.16-cpeGNU-23.09.eb │ ├── json-c-0.17-cpeAOCC-24.03.eb │ ├── json-c-0.17-cpeCray-24.03.eb │ ├── json-c-0.17-cpeGNU-24.03.eb │ └── json-c-0.18.eb └── json-fortran │ ├── json-fortran-8.3.0-cpeCray-24.03.eb │ └── json-fortran-9.0.2-cpeGNU-24.03.eb ├── k ├── Kokkos-kernels │ ├── Kokkos-kernels-4.5.1-cpeAMD-24.03-rocm.eb │ ├── Kokkos-kernels-4.5.1-cpeGNU-24.03-rocm.eb │ ├── LICENSE.md │ └── README.md └── Kokkos │ ├── Kokkos-4.5.1-cpeAMD-24.03-rocm.eb │ ├── Kokkos-4.5.1-cpeGNU-24.03-rocm.eb │ ├── LICENSE.md │ └── README.md ├── l ├── LAMMPS │ ├── LAMMPS-2Aug2023_update3-cpeAMD-24.03-rocm.eb │ ├── LAMMPS-2Aug2023_update3-cpeGNU-24.03-CPU.eb │ ├── LICENSE.md │ └── README.md ├── Libint-CP2K │ ├── LICENSE.md │ ├── Libint-2.7.2_remove-test-eri.patch │ ├── Libint-2.7.2_remove-test-permute.patch │ ├── Libint-2.7.2_update-catch-hpp-fix-MINSIGSTKSZ.patch │ ├── Libint-CP2K-2.6.0-cpeGNU-23.09.eb │ ├── Libint-CP2K-2.7.2-cpeGNU-24.03.eb │ └── README.md ├── libFLAME │ ├── LICENSE.md │ ├── README.md │ ├── libFLAME-4.0-cpeCray-23.03-amd-ILP64.eb │ ├── libFLAME-4.0-cpeCray-23.03-amd.eb │ ├── libFLAME-4.2-cpeCray-23.12-amd-ILP64.eb │ ├── libFLAME-4.2-cpeCray-23.12-amd.eb │ ├── libFLAME-4.2-cpeCray-24.03-amd-ILP64.eb │ ├── libFLAME-4.2-cpeCray-24.03-amd.eb │ ├── libFLAME-4.2-cpeGNU-23.12-amd-ILP64.eb │ ├── libFLAME-4.2-cpeGNU-23.12-amd.eb │ ├── libFLAME-4.2-cpeGNU-24.03-amd-ILP64.eb │ └── libFLAME-4.2-cpeGNU-24.03-amd.eb ├── libaio │ ├── LICENSE.md │ ├── README.md │ ├── libaio-0.3.113-cpeCray-23.03.eb │ └── libaio-0.3.113.eb ├── libbfd │ ├── LICENSE.md │ ├── README.md │ ├── libbfd-2.42-cpeAMD-23.09.eb │ ├── libbfd-2.42-cpeAMD-24.03.eb │ ├── libbfd-2.42-cpeAOCC-23.09.eb │ ├── libbfd-2.42-cpeAOCC-24.03.eb │ ├── libbfd-2.42-cpeCray-23.09.eb │ ├── libbfd-2.42-cpeCray-24.03.eb │ ├── libbfd-2.42-cpeGNU-23.09.eb │ └── libbfd-2.42-cpeGNU-24.03.eb ├── libconfig │ ├── LICENSE.md │ ├── README.md │ └── libconfig-1.7.3.eb ├── libcxi │ ├── LICENSE.md │ ├── README.md │ └── libcxi-shs-12.0.1.eb ├── libdap │ ├── LICENSE.md │ ├── README.md │ ├── libdap-3.20.11-cpeAOCC-23.03.eb │ ├── libdap-3.20.11-cpeCray-23.03.eb │ ├── libdap-3.20.11-cpeCray-23.09.eb │ ├── libdap-3.20.11-cpeGNU-23.09.eb │ ├── libdap-3.21.0-27-cpeCray-24.03.eb │ └── libdap-3.21.0-27-cpeGNU-24.03.eb ├── libexif │ ├── LICENSE.md │ ├── README.md │ └── libexif-0.6.25-cpeGNU-24.03.eb ├── libfabric │ ├── LICENSE.md │ ├── README.md │ └── libfabric-2.3.0.eb ├── libgeotiff │ ├── LICENSE.md │ ├── README.md │ ├── libgeotiff-1.7.1-cpeGNU-23.09.eb │ └── libgeotiff-1.7.3-cpeGNU-24.03.eb ├── libsodium │ ├── LICENSE.md │ ├── README.md │ ├── libsodium-1.0.19-cpeGNU-23.09.eb │ └── libsodium-1.0.19-cpeGNU-24.03.eb ├── libspatialindex │ ├── LICENSE.md │ ├── README.md │ └── libspatialindex-1.9.3-cpeGNU-24.03.eb ├── libuv │ ├── LICENSE.md │ ├── README.md │ └── libuv-1.48.0.eb ├── libvdwxc │ ├── LICENSE.md │ ├── README.md │ └── libvdwxc-0.4.0-cpuGNU-24.03.eb ├── libvori │ ├── LICENSE.md │ ├── README.md │ ├── libvori-220621-cpeGNU-23.09.eb │ └── libvori-220621-cpeGNU-24.03.eb ├── libxc │ ├── LICENSE.md │ ├── README.md │ ├── libxc-6.1.0-cpeGNU-23.09-nofhc.eb │ ├── libxc-6.2.2-cpeGNU-23.09.eb │ ├── libxc-6.2.2-cpeGNU-23.12.eb │ ├── libxc-6.2.2-cpeGNU-24.03.eb │ ├── libxc-7.0.0-cpeGNU-24.03-nofhc.eb │ └── libxc-7.0.0-cpeGNU-24.03.eb ├── libxsmm │ ├── LICENSE.md │ ├── README.md │ ├── libxsmm-1.17-cpeGNU-23.09.eb │ └── libxsmm-1.17-cpeGNU-24.03.eb ├── lm-sensors │ ├── LICENSE.md │ ├── README.md │ └── lm-sensors-3.6.0.eb ├── lumi-CPEtools │ ├── README.md │ ├── lumi-CPEtools-1.1-cpeGNU-23.09-OpenMPI-4.1.6-noCrayWrappers.eb │ └── lumi-CPEtools-1.1-cpeGNU-23.09-OpenMPI-4.1.6.eb ├── lumi-allocations │ ├── LICENSE.md │ ├── README.md │ ├── USER.md │ └── lumi-allocations-20230103.eb ├── lumi-training-tools │ ├── LICENSE.md │ ├── README.md │ ├── USER.md │ ├── lumi-training-tools-20240502.eb │ └── mkfile_Manual_page.patch └── lustre-includes │ └── lustre-includes-2.15.1.eb ├── m ├── MATIO │ ├── LICENSE.md │ ├── MATIO-1.5.27-cpeGNU-24.03.eb │ └── README.md ├── MUMPS │ ├── LICENSE.md │ ├── MUMPS-5.5.1-cpeCray-23.09.eb │ ├── MUMPS-5.5.1-cpeGNU-23.09.eb │ ├── MUMPS-5.5.1_shared-mumps.patch │ ├── MUMPS-5.5.1_shared-pord.patch │ ├── MUMPS-5.6.1-cpeGNU-24.03-OpenMP.eb │ ├── MUMPS-5.6.1-cpeGNU-24.03-noOpenMP.eb │ ├── MUMPS-5.6.1_shared-mumps.patch │ ├── MUMPS-5.6.1_shared-pord.patch │ ├── Makefile.CRAY │ ├── Makefile.CRAY.patch │ └── README.md ├── Mako │ ├── LICENSE.md │ ├── Mako-1.1.6.eb │ └── README.md ├── MicroHH │ ├── LICENSE.md │ ├── MicroHH-2.0.1-cpeGNU-24.03.eb │ ├── MicroHH-config-default.patch │ └── README.md ├── magma │ ├── LICENSE.md │ ├── README.md │ ├── magma-2.7.2-cpeAMD-23.09-rocm.eb │ ├── magma-2.7.2-cpeCray-23.09-rocm.eb │ ├── magma-2.7.2-cpeGNU-23.09-rocm.eb │ ├── magma-2.7.2_crayftn-uppercase-module.patch │ ├── magma-2.7.2_rocm6.patch │ ├── magma-2.7.2_separate-cxx-and-hip-compilation.patch │ ├── magma-2.8.0-cpeAMD-24.03-rocm.eb │ ├── magma-2.8.0-cpeCray-24.03-rocm.eb │ ├── magma-2.8.0-cpeGNU-24.03-rocm.eb │ ├── magma-2.8.0-cpeGNU-24.03-rocm6.2.2.eb │ ├── magma-2.8.0_crayftn-uppercase-module.patch │ └── magma-2.8.0_separate-cxx-and-hip-compilation.patch ├── makedepf90 │ ├── LICENSE.md │ ├── README.md │ └── makedepf90-2.8.8.eb ├── matplotlib │ └── matplotlib-3.10.1-cpeGNU-24.03.eb └── mpiFileUtils │ ├── LICENSE.md │ ├── README.md │ ├── mpiFileUtils-0.11.1-cpeAMD-23.09.eb │ ├── mpiFileUtils-0.11.1-cpeAMD-24.03.eb │ ├── mpiFileUtils-0.11.1-cpeAOCC-23.09.eb │ ├── mpiFileUtils-0.11.1-cpeAOCC-24.03.eb │ ├── mpiFileUtils-0.11.1-cpeCray-23.03.eb │ ├── mpiFileUtils-0.11.1-cpeCray-23.09.eb │ ├── mpiFileUtils-0.11.1-cpeCray-24.03.eb │ ├── mpiFileUtils-0.11.1-cpeGNU-23.09.eb │ └── mpiFileUtils-0.11.1-cpeGNU-24.03.eb ├── n ├── NAMD │ ├── LICENSE.md │ ├── NAMD-2.14-cpeGNU-23.09-MPI.eb │ ├── NAMD-3.0-cpeGNU-24.03-mpi-crayshasta.eb │ ├── NAMD-3.0-cpeGNU-24.03-ofi-crayshasta.eb │ ├── NAMD-3.0-cpeGNU-24.03-rocm-gpu-resident.eb │ ├── NAMD-3.0.2-cpeGNU-24.03-rocm-gpu-offload.eb │ ├── NAMD-3.0.2-cpeGNU-24.03-rocm-gpu-resident.eb │ ├── NAMD-3.0b6-cpeAMD-23.09-rocm.eb │ ├── NAMD_hip_lumi.patch │ ├── README.md │ ├── USER.md │ └── namd3-arch-rocm-clang.patch ├── NCO │ ├── LICENSE.md │ ├── NCO-5.1.5-cpeCray-23.03.eb │ ├── NCO-5.1.8-cpeCray-23.09.eb │ ├── NCO-5.1.8-cpeGNU-23.09.eb │ ├── NCO-5.2.7-cpeCray-24.03.eb │ ├── NCO-5.2.7-cpeGNU-24.03.eb │ └── README.md ├── Neko │ ├── Neko-0.8.1-cpeCray-24.03-rocm.eb │ ├── Neko-0.8.1-cpeGNU-24.03-rocm.eb │ └── README.md ├── ncview │ ├── LICENSE.md │ ├── README.md │ ├── ncview-2.1.9-cpeAOCC-23.09.eb │ ├── ncview-2.1.9-cpeAOCC-24.03.eb │ ├── ncview-2.1.9-cpeCray-23.09.eb │ ├── ncview-2.1.9-cpeCray-24.03.eb │ ├── ncview-2.1.9-cpeGNU-23.09.eb │ └── ncview-2.1.9-cpeGNU-24.03.eb ├── nlohmann-json │ ├── LICENSE.md │ ├── README.md │ └── nlohmann-json-3.11.2-cpeGNU-23.09.eb └── nvtop │ ├── LICENSE.md │ ├── README.md │ ├── libudev.h │ └── nvtop-3.0.2.eb ├── o ├── OPARI2 │ ├── LICENSE.md │ ├── OPARI2-2.0.8-cpeAMD-23.09.eb │ ├── OPARI2-2.0.8-cpeAMD-24.03.eb │ ├── OPARI2-2.0.8-cpeAOCC-23.09.eb │ ├── OPARI2-2.0.8-cpeAOCC-24.03.eb │ ├── OPARI2-2.0.8-cpeCray-23.09.eb │ ├── OPARI2-2.0.8-cpeCray-24.03.eb │ ├── OPARI2-2.0.8-cpeGNU-23.09.eb │ ├── OPARI2-2.0.8-cpeGNU-24.03.eb │ ├── OPARI2-2.0.9-cpeAMD-24.03.eb │ ├── OPARI2-2.0.9-cpeAOCC-24.03.eb │ ├── OPARI2-2.0.9-cpeCray-24.03.eb │ ├── OPARI2-2.0.9-cpeGNU-24.03.eb │ └── README.md ├── OSU-Micro-Benchmarks │ ├── LICENSE.md │ ├── OSU-1sided-template.sh │ ├── OSU-Micro-Benchmarks-7.3-cpeGNU-23.09-OpenMPI-4.1.6-noCrayWrappers.eb │ ├── OSU-Micro-Benchmarks-7.3-cpeGNU-23.09-OpenMPI-4.1.6.eb │ ├── OSU-Micro-Benchmarks-7.3-cpeGNU-23.09.eb │ ├── OSU-coll-template.sh │ ├── OSU-p2p-template.sh │ ├── README.md │ └── USER.md ├── OTF2 │ ├── LICENSE.md │ ├── OTF2-3.0.3-cpeAMD-23.09.eb │ ├── OTF2-3.0.3-cpeAMD-24.03.eb │ ├── OTF2-3.0.3-cpeAOCC-23.09.eb │ ├── OTF2-3.0.3-cpeAOCC-24.03.eb │ ├── OTF2-3.0.3-cpeCray-23.09.eb │ ├── OTF2-3.0.3-cpeCray-24.03.eb │ ├── OTF2-3.0.3-cpeGNU-23.09.eb │ ├── OTF2-3.0.3-cpeGNU-24.03.eb │ ├── OTF2-3.1.1-cpeAMD-24.03.eb │ ├── OTF2-3.1.1-cpeAOCC-24.03.eb │ ├── OTF2-3.1.1-cpeCray-24.03.eb │ ├── OTF2-3.1.1-cpeGNU-24.03.eb │ └── README.md ├── OpenBLAS │ ├── LICENSE.md │ ├── OpenBLAS-0.3.15_workaround-gcc-miscompilation.patch │ ├── OpenBLAS-0.3.21_fix-order-vectorization.patch │ ├── OpenBLAS-0.3.23_disable-xDRGES-LAPACK-test.patch │ ├── OpenBLAS-0.3.24-cpeGNU-23.12.eb │ ├── OpenBLAS-0.3.24-cpeGNU-24.03.eb │ ├── OpenBLAS-0.3.24_fix-czasum.patch │ └── README.md ├── OpenFOAM │ ├── LICENSE.md │ ├── OpenFOAM-10-cpeGNU-23.09-20230119.eb │ ├── OpenFOAM-12-cpeGNU-24.03-master.eb │ ├── OpenFOAM-12-cpeGNU-24.03-patch-20250206.eb │ ├── OpenFOAM-12-cpeGNU-24.03.eb │ ├── OpenFOAM-13-cpeGNU-24.03-master.eb │ ├── OpenFOAM-13-cpeGNU-24.03-patch-20250911.eb │ ├── OpenFOAM-13-cpeGNU-24.03.eb │ ├── OpenFOAM-v2312-cpeGNU-23.09.eb │ ├── OpenFOAM-v2506-cpeGNU-24.03.eb │ ├── README.md │ ├── USER.md │ ├── wmake-rules-linux64Cray-gcc13.patch │ └── wmake-rules-linux64Cray.patch ├── OpenMPI │ ├── LICENSE.md │ ├── OpenMPI-4.1.6-cpeGNU-23.09-noCrayWrappers.eb │ ├── OpenMPI-4.1.6-cpeGNU-23.09.eb │ ├── OpenMPI-5.0.8-cpeGNU-24.03-rocm.eb │ ├── README.md │ └── USER.md ├── OpenPGM │ ├── LICENSE.md │ ├── OpenPGM-5.2.122-cpeGNU-23.09.eb │ ├── OpenPGM-5.2.122-cpeGNU-24.03.eb │ ├── OpenPGM-5.2.122_python3-compliant.patch │ └── README.md └── OptiX │ ├── LICENSE.md │ ├── OptiX-8.0.0.eb │ ├── README.md │ └── USER.md ├── p ├── PETSc │ ├── LICENSE.md │ ├── PETSc-3.19.5-cpeGNU-23.09.eb │ ├── PETSc-3.21.5-cpeGNU-24.03-OpenMP.eb │ ├── PETSc-3.21.5-cpeGNU-24.03-rocm.eb │ ├── PETSc-3.21.5_rocm6.patch │ └── README.md ├── PLUMED │ ├── LICENSE.md │ ├── PLUMED-2.8.3-cpeGNU-23.09-noPython.eb │ ├── PLUMED-2.8.4-cpeAMD-24.03-noPython.eb │ ├── PLUMED-2.8.4-cpeGNU-24.03-noPython.eb │ ├── PLUMED-2.9.0-cpeGNU-23.09-noPython.eb │ ├── PLUMED-2.9.3-cpeAMD-24.03-noPython.eb │ ├── PLUMED-2.9.3-cpeCray-24.03-noPython.eb │ ├── PLUMED-2.9.3-cpeGNU-24.03-cray-python-3.11.7.eb │ ├── PLUMED-2.9.3-cpeGNU-24.03-noPython.eb │ ├── README.md │ └── USER.md ├── ParMETIS │ ├── ParMETIS-4.0.3-cpeGNU-24.03-shared.eb │ └── README.md ├── ParaView │ ├── LICENSE.md │ ├── ParaView-5.13.3-cpeGNU-24.03.eb │ ├── README.md │ └── USER.md ├── PyFR │ ├── LICENSE.md │ ├── PyFR-2.0.3-cpeGNU-24.03-rocm.eb │ └── README.md └── PyTorch │ ├── LICENSE.md │ ├── README.md │ └── USER.md ├── q ├── QuEST │ ├── LICENSE.md │ ├── QuEST-3.7.0-cpeGNU-23.09-hybrid-prec2.eb │ ├── QuEST-3.7.0-cpeGNU-23.09-prec2-rocm.eb │ ├── QuEST-3.7.0-cpeGNU-24.03-hybrid-prec2.eb │ ├── QuEST-3.7.0-cpeGNU-24.03-prec2-rocm.eb │ └── README.md └── QuantumESPRESSO │ ├── LICENSE.md │ ├── QuantumESPRESSO-7.2-cpeGNU-23.09.eb │ ├── QuantumESPRESSO-7.3-cpeGNU-23.09.eb │ ├── QuantumESPRESSO-7.3.1-cpeGNU-24.03.eb │ ├── README.md │ ├── USER.md │ └── files │ └── gab128-qe-intranode.png ├── r ├── R │ ├── LICENSE.md │ ├── R-4.3.2-cpeGNU-23.09-raw.eb │ ├── R-4.3.2-cpeGNU-23.09.eb │ ├── R-4.4.1-cpeGNU-24.03-OpenMP-raw.eb │ ├── R-4.4.1-cpeGNU-24.03-OpenMP.eb │ ├── README.md │ ├── Rmpi-0.7-2_Cray.patch │ └── USER.md └── Rust │ ├── LICENSE.md │ ├── README.md │ ├── Rust-1.70.0.eb │ ├── Rust-1.70_sysroot-fix-interpreter.patch │ ├── Rust-1.75.0.eb │ ├── Rust-1.75_sysroot-fix-interpreter.patch │ ├── Rust-1.80.1.eb │ └── USER.md ├── s ├── SAMtools │ ├── LICENSE.md │ ├── README.md │ ├── SAMtools-1.18-cpeGNU-23.09.eb │ └── SAMtools-1.20-cpeGNU-24.03.eb ├── SPLA │ ├── LICENSE.md │ ├── README.md │ ├── SPLA-1.5.5-cpeGNU-23.09-rocm.eb │ ├── SPLA-1.5.5_rocm6-memorytype.patch │ ├── SPLA-1.6.1-cpeGNU-23.12-rocm.eb │ └── SPLA-1.6.1-cpeGNU-24.03-rocm.eb ├── STAR │ ├── LICENSE.md │ ├── README.md │ ├── STAR-2.7.11b-cpeGNU-24.03.eb │ └── STAR-2.7.11b_use-external-htslib.patch ├── STRUMPACK │ ├── LICENSE.md │ ├── README.md │ └── STRUMPACK-7.0.1-cpeGNU-24.03-OpenMP.eb ├── SWIG │ ├── LICENSE.md │ ├── README.md │ └── SWIG-4.1.1-cpeGNU-24.03.eb ├── SZ │ ├── LICENSE.md │ ├── README.md │ ├── SZ-2.1.12-cpeGNU-23.09.eb │ ├── SZ-2.1.12.5-cpeGNU-24.03-hdf5-parallel.eb │ ├── SZ-2.1.12.5-cpeGNU-24.03.eb │ └── tmp │ │ ├── README.md │ │ ├── SZ-2.1.12.5-cpeGNU-24.03-hdf5-parallel.eb │ │ └── SZ-2.1.12.5-cpeGNU-24.03.eb ├── ScaLAPACK │ ├── LICENSE.md │ ├── README.md │ ├── ScaLAPACK-4.2-cpeCray-23.12-amd.eb │ ├── ScaLAPACK-4.2-cpeCray-24.03-amd.eb │ ├── ScaLAPACK-4.2-cpeGNU-23.12-amd.eb │ ├── ScaLAPACK-4.2-cpeGNU-24.03-amd.eb │ └── ScaLAPACK-4.2_crayftn-flags.patch ├── Scalasca │ ├── LICENSE.md │ ├── README.md │ ├── Scalasca-2.6.1-cpeAMD-23.09.eb │ ├── Scalasca-2.6.1-cpeAMD-24.03.eb │ ├── Scalasca-2.6.1-cpeAOCC-23.09.eb │ ├── Scalasca-2.6.1-cpeAOCC-24.03.eb │ ├── Scalasca-2.6.1-cpeCray-23.09.eb │ ├── Scalasca-2.6.1-cpeCray-24.03.eb │ ├── Scalasca-2.6.1-cpeGNU-23.09.eb │ ├── Scalasca-2.6.1-cpeGNU-24.03.eb │ ├── Scalasca-2.6.1_nowarn_omp_pragmas.patch │ ├── Scalasca-2.6.2-cpeAMD-24.03.eb │ ├── Scalasca-2.6.2-cpeAOCC-24.03.eb │ ├── Scalasca-2.6.2-cpeCray-24.03.eb │ ├── Scalasca-2.6.2-cpeGNU-24.03.eb │ └── USER.md ├── Score-P │ ├── LICENSE.md │ ├── README.md │ ├── Score-P-8.4-cpeAMD-23.09-rocm.eb │ ├── Score-P-8.4-cpeAMD-24.03-rocm.eb │ ├── Score-P-8.4-cpeAOCC-23.09.eb │ ├── Score-P-8.4-cpeAOCC-24.03.eb │ ├── Score-P-8.4-cpeCray-23.09-rocm.eb │ ├── Score-P-8.4-cpeCray-23.09.eb │ ├── Score-P-8.4-cpeCray-24.03-rocm.eb │ ├── Score-P-8.4-cpeCray-24.03.eb │ ├── Score-P-8.4-cpeGNU-23.09.eb │ ├── Score-P-8.4-cpeGNU-24.03.eb │ ├── Score-P-8.4-fix-mpi-dependency-Cray-ldflags.patch │ ├── Score-P-8.4-installcheck-prevent-memory-optimization.patch │ ├── Score-P-9.0-cpeAMD-24.03-rocm.eb │ ├── Score-P-9.0-cpeAOCC-24.03.eb │ ├── Score-P-9.0-cpeCray-24.03-rocm.eb │ ├── Score-P-9.0-cpeCray-24.03.eb │ ├── Score-P-9.0-cpeGNU-24.03.eb │ ├── Score-P-9.2-cpeAMD-24.03-rocm.eb │ ├── Score-P-9.2-cpeAOCC-24.03.eb │ ├── Score-P-9.2-cpeCray-24.03-rocm.eb │ ├── Score-P-9.2-cpeCray-24.03.eb │ ├── Score-P-9.2-cpeGNU-24.03.eb │ └── USER.md ├── Siesta │ ├── LICENSE.md │ ├── README.md │ ├── Siesta-4.1.5-cpeGNU-23.09-rocm.eb │ ├── Siesta-4.1.5-cpeGNU-24.03-rocm.eb │ ├── arch_make.patch │ ├── siesta-4.1.5-amd-gpu.patch │ └── siesta-4.1.5-block-size.patch ├── Silo │ ├── LICENSE.md │ ├── README.md │ └── Silo-4.11.1-cpeGNU-24.03.eb ├── SpFFT │ ├── LICENSE.md │ ├── README.md │ ├── SpFFT-1.0.6-cpeGNU-23.09-rocm.eb │ ├── SpFFT-1.0.6_rocm6.patch │ ├── SpFFT-1.1.0-cpeGNU-23.12-rocm.eb │ └── SpFFT-1.1.0-cpeGNU-24.03-rocm.eb ├── SuperLU │ ├── LICENSE.md │ ├── README.md │ ├── SuperLU-6.0.0-cpeCray-23.09-OpenMP.eb │ ├── SuperLU-6.0.0-cpeGNU-23.09-OpenMP.eb │ └── SuperLU-6.0.1-cpeGNU-24.03-OpenMP.eb ├── SuperLU_DIST │ ├── LICENSE.md │ ├── README.md │ ├── SuperLU_DIST-8.1.2-cpeCray-23.09-OpenMP.eb │ ├── SuperLU_DIST-8.1.2-cpeGNU-23.09-OpenMP.eb │ └── SuperLU_DIST-9.0.0-cpeGNU-24.03-OpenMP.eb ├── seacas-exodus │ ├── LICENSE.md │ ├── README.md │ └── seacas-exodus-v2025-04-29-cpeGNU-24.03.eb ├── seff │ ├── LICENSE.md │ ├── README.md │ ├── USER.md │ └── seff-22.05.8.eb ├── singularity-AI-bindings │ ├── USER.md │ └── singularity-AI-bindings-24.03.eb ├── singularity-bindings │ ├── LICENSE.md │ ├── USER.md │ ├── singularity-bindings-24.03.eb │ └── singularity-bindings-system-cpeGNU-23.09-noglibc.eb └── spglib │ ├── LICENSE.md │ ├── README.md │ ├── spglib-1.16.3-cpeGNU-23.09.eb │ ├── spglib-2.3.1-cpeGNU-23.09.eb │ └── spglib-2.5.0-cpeGNU-24.03.eb ├── t └── Trilinos │ ├── LICENSE.md │ ├── README.md │ └── Trilinos-15.1.1-cpeGNU-24.03-OpenMP.eb ├── u ├── UppASD │ ├── LICENSE.md │ ├── README.md │ ├── USER.md │ ├── UppASD-6.0.2-cpeCray-23.03.eb │ ├── UppASD-6.0.2-cpeCray-23.09.eb │ ├── UppASD-6.0.2-cpeCray-24.03.eb │ ├── UppASD-6.0.2-cpeGNU-23.09.eb │ ├── UppASD-6.0.2-cpeGNU-24.03.eb │ └── UppASD-6.0.2_Link_patch_Cray_ftn.patch └── unicore-uftp │ ├── LICENSE.md │ ├── README.md │ └── unicore-uftp-1.8.0-Java-21.eb ├── v ├── VASP │ ├── LICENSE.md │ ├── POTCAR-readonly-641.patch │ ├── POTCAR-readonly-650.patch │ ├── README.md │ ├── USER.md │ ├── VASP-6.4.2-cpeGNU-23.09-build01.eb │ ├── VASP-6.4.2-cpeGNU-23.09-build02.eb │ ├── VASP-6.4.3-cpeGNU-24.03-build02.eb │ ├── VASP-6.5.0-cpeGNU-24.03-build01.eb │ ├── VASP-6.5.0-cpeGNU-24.03-build02.eb │ ├── VASP-6.5.1-cpeGNU-24.03-build02.eb │ ├── makefile.include.VASP-6.4.2-cpeGNU-23.09-build01 │ ├── makefile.include.VASP-6.4.2-cpeGNU-23.09-build02 │ ├── makefile.include.VASP-6.4.3-cpeGNU-24.03-build02 │ ├── makefile.include.VASP-6.5.0-cpeGNU-24.03-build01 │ ├── makefile.include.VASP-6.5.0-cpeGNU-24.03-build02 │ └── makefile.include.VASP-6.5.1-cpeGNU-24.03-build02 ├── VCFtools │ ├── LICENSE.md │ ├── README.md │ ├── VCFtools-0.1.16-cpeGNU-23.09.eb │ ├── VCFtools-0.1.16-cpeGNU-24.03.eb │ └── VCFtools-0.1.16_gzip_regexp.patch ├── VTK │ ├── LICENSE.md │ ├── README.md │ ├── VTK-9.2.6-cpeGNU-24.03.eb │ ├── VTK-9.2.6_fix-gcc-13-compilation.patch │ ├── VTK-9.2.6_remove-ospray-version-requirement.patch │ └── vtk-version.egg-info ├── VisIt │ ├── LICENSE.md │ ├── README.md │ ├── VisIt-3.4.1-cpeGNU-24.03.eb │ ├── VisIt-3.4.1_fix-conduit-include.patch │ └── VisIt-3.4.1_parallel-hdf5.patch └── VisRTX │ ├── LICENSE.md │ ├── README.md │ └── VisRTX-0.9.0-cpeGNU-24.03.eb ├── versions-23.03.txt ├── versions-contrib-23.09.txt ├── versions-contrib-24.03.txt ├── versions-contrib-links.md ├── w ├── WPS │ ├── LICENSE.md │ ├── README.md │ ├── WPS-v4.4-cpeGNU-24.03-WRF-SFIRE-W4.4-S0.1.eb │ └── wps.patch ├── WRF-SFIRE │ ├── LICENSE.md │ ├── README.md │ ├── WRF-SFIRE-W4.4-S0.1-cpeGNU-24.03.eb │ ├── configure.patch │ ├── grib2.patch │ ├── mpi_dtype.patch │ └── vectorization.patch ├── Wannier90 │ ├── LICENSE.md │ ├── README.md │ ├── Wannier90-24Jan2025-cpeGNU-24.03.eb │ ├── Wannier90-3.1.0-cpeGNU-23.09.eb │ ├── Wannier90-3.1.0-cpeGNU-23.12.eb │ ├── Wannier90-3.1.0-cpeGNU-24.03.eb │ └── Wannier90_3x_ignore_makeinc.path └── wheel │ ├── LICENSE.md │ ├── README.md │ └── wheel-0.38.4-cpeCray-23.03-cray-python3.9.eb ├── x └── Xerces-C++ │ ├── LICENSE.md │ ├── README.md │ ├── USER.md │ ├── Xerces-C++-3.2.5-cpeGNU-23.09.eb │ └── Xerces-C++-3.2.5-cpeGNU-24.03.eb ├── y ├── Yambo │ ├── LICENSE.md │ ├── README.md │ ├── Yambo-5.2.3-cpeGNU-23.09.eb │ └── Yambo-5.2.3-cpeGNU-24.03.eb └── yaml-cpp │ ├── LICENSE.md │ ├── README.md │ └── yaml-cpp-0.8.0-cpeGNU-24.03.eb └── z ├── ZeroMQ ├── LICENSE.md ├── README.md ├── ZeroMQ-4.3.5-cpeGNU-23.09.eb └── ZeroMQ-4.3.5-cpeGNU-24.03.eb ├── Zoltan └── Zoltan-3.901-cpeGNU-24.03.eb └── zfp ├── LICENSE.md ├── README.md ├── zfp-1.0.0-cpeGNU-23.09.eb └── zfp-1.0.1-cpeGNU-24.03.eb /README.md: -------------------------------------------------------------------------------- 1 | # LUMI-EasyBuild-contrib 2 | 3 | This is a repository for contributed EasyConfig files that LUMI users can install 4 | at their own discretion or use as a starting base for their own build recipes. 5 | 6 | Recipes in this repository are not installed centrally on LUMI, but can be installed 7 | by users using the EasyBuild-user module, or adapted to their own needs. 8 | 9 | These build recipes are not as carefully tested as the ones that are centrally installed 10 | and part of the [main LUMI-SoftwareStack production repository](https://github.com/Lumi-supercomputer/LUMI-SoftwareStack), 11 | and they are not always ported to newer versions of the software or the LUMI software 12 | stack by us, but they can be a great source of inspiration for users to build their 13 | own build recipes. 14 | 15 | The structure of the repository follows the standard structure used by EasyBuild so 16 | that it should be compatible with the github management features of EasyBuild. 17 | -------------------------------------------------------------------------------- /easybuild/easyblocks/00/00dummy.py: -------------------------------------------------------------------------------- 1 | # Dummy EasyBlock to ensure that the parameter used to point to the EasyBlock repository 2 | # does not produce an error message in eb --show-config. 3 | 4 | from easybuild.framework.easyblock import EasyBlock 5 | from easybuild.tools.run import run_cmd 6 | 7 | 8 | class EB_DummyExample(EasyBlock): 9 | """Custom easyblock for Example""" 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/a/ABINIT/LICENSE.md: -------------------------------------------------------------------------------- 1 | # ABINIT Licence 2 | 3 | ABINIT is licensed under the GNU General Public License Version 3. 4 | 5 | [The full text is available on the ABINIT web site](https://docs.abinit.org/about/license/). 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/a/ADIOS2/ADIOS2-2.7.1_fix-gcc11-include.patch: -------------------------------------------------------------------------------- 1 | From 8d04bda12988ac4190780e1d75bedaf3e510d32c Mon Sep 17 00:00:00 2001 2 | From: Erik Schnetter 3 | Date: Thu, 20 May 2021 08:55:59 -0400 4 | Subject: [PATCH] Add missing #include 5 | 6 | Closes https://github.com/ornladios/ADIOS2/issues/2709 7 | --- 8 | source/adios2/toolkit/zmq/zmqpubsub/ZmqPubSub.h | 1 + 9 | 1 file changed, 1 insertion(+) 10 | 11 | diff --git a/source/adios2/toolkit/zmq/zmqpubsub/ZmqPubSub.h b/source/adios2/toolkit/zmq/zmqpubsub/ZmqPubSub.h 12 | index 3648ded1d..a0c381a05 100644 13 | --- a/source/adios2/toolkit/zmq/zmqpubsub/ZmqPubSub.h 14 | +++ b/source/adios2/toolkit/zmq/zmqpubsub/ZmqPubSub.h 15 | @@ -11,6 +11,7 @@ 16 | #ifndef ADIOS2_TOOLKIT_ZMQ_ZMQPUBSUB_H_ 17 | #define ADIOS2_TOOLKIT_ZMQ_ZMQPUBSUB_H_ 18 | 19 | +#include 20 | #include 21 | #include 22 | #include 23 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/a/Amber/Amber-22_hipcc_mpich_linking.patch: -------------------------------------------------------------------------------- 1 | --- amber22_src.orig/cmake/PMEMDCompilerFlags.cmake 2022-06-19 16:11:44.000000000 +0300 2 | +++ amber22_src/cmake/PMEMDCompilerFlags.cmake 2023-01-03 16:25:56.000000000 +0200 3 | @@ -210,7 +210,8 @@ 4 | set(PMEMD_NVCC_FLAGS -O3) 5 | # list(APPEND PMEMD_NVCC_FLAGS -ffast-math) 6 | 7 | - list(APPEND PMEMD_NVCC_FLAGS -std=c++11) 8 | + # Remove deprecated c++ option for HIP libraries 9 | + #list(APPEND PMEMD_NVCC_FLAGS -std=c++11) 10 | 11 | if(DISABLE_WARNINGS) 12 | list(APPEND PMEMD_NVCC_FLAGS -w) 13 | @@ -234,7 +235,9 @@ 14 | 15 | 16 | if(MPI) 17 | - list(APPEND PMEMD_NVCC_FLAGS -DMPICH_IGNORE_CXX_SEEK) 18 | + # Add Cray MPICH include option to use with hipcc 19 | + #list(APPEND PMEMD_NVCC_FLAGS -DMPICH_IGNORE_CXX_SEEK) 20 | + list(APPEND PMEMD_NVCC_FLAGS -DMPICH_IGNORE_CXX_SEEK -I$ENV{CRAY_MPICH_PREFIX}/include) 21 | endif() 22 | 23 | 24 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/a/Amber/Amber-22_hipcc_mpich_linking_amd23.patch: -------------------------------------------------------------------------------- 1 | --- amber22_src.orig/cmake/PMEMDCompilerFlags.cmake 2023-01-09 17:12:51.000000000 +0200 2 | +++ amber22_src/cmake/PMEMDCompilerFlags.cmake 2023-01-09 17:13:17.000000000 +0200 3 | @@ -234,7 +234,8 @@ 4 | 5 | 6 | if(MPI) 7 | - list(APPEND PMEMD_NVCC_FLAGS -DMPICH_IGNORE_CXX_SEEK) 8 | + #list(APPEND PMEMD_NVCC_FLAGS -DMPICH_IGNORE_CXX_SEEK) 9 | + list(APPEND PMEMD_NVCC_FLAGS -DMPICH_IGNORE_CXX_SEEK -I$ENV{CRAY_MPICH_PREFIX}/include) 10 | endif() 11 | 12 | 13 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/a/Amber/Amber-22_remove_open-pal-link.patch: -------------------------------------------------------------------------------- 1 | --- amber22_src.orig/src/pmemd/src/cuda/CMakeLists.txt 2022-06-19 16:11:44.000000000 +0300 2 | +++ amber22_src/src/pmemd/src/cuda/CMakeLists.txt 2023-01-03 16:21:34.000000000 +0200 3 | @@ -77,7 +77,8 @@ 4 | if(HIP AND HIP_RDC) 5 | set_property(TARGET pmemd_cuda_${PRECISION}_mpi PROPERTY LINKER_LANGUAGE HIP) 6 | install(TARGETS pmemd_cuda_${PRECISION}_mpi DESTINATION ${LIBDIR} COMPONENT pmemd_CUDA) 7 | - target_link_libraries(pmemd_cuda_${PRECISION}_mpi open-pal) 8 | + # This is OpenMPI specific 9 | + #target_link_libraries(pmemd_cuda_${PRECISION}_mpi open-pal) 10 | endif() 11 | 12 | #pass the precision define to the non-CUDA sources 13 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/a/Amber/Amber-22_remove_open-pal-link_amd23.patch: -------------------------------------------------------------------------------- 1 | --- amber22_src.orig/src/pmemd/src/cuda/CMakeLists.txt 2022-06-19 16:11:44.000000000 +0300 2 | +++ amber22_src/src/pmemd/src/cuda/CMakeLists.txt 2023-01-03 16:21:34.000000000 +0200 3 | @@ -77,7 +77,8 @@ 4 | if(HIP AND HIP_RDC) 5 | set_property(TARGET pmemd_cuda_${PRECISION}_mpi PROPERTY LINKER_LANGUAGE HIP) 6 | install(TARGETS pmemd_cuda_${PRECISION}_mpi DESTINATION ${LIBDIR} COMPONENT pmemd_CUDA) 7 | - target_link_libraries(pmemd_cuda_${PRECISION}_mpi open-pal) 8 | + # This is OpenMPI specific 9 | + #target_link_libraries(pmemd_cuda_${PRECISION}_mpi open-pal) 10 | endif() 11 | 12 | #pass the precision define to the non-CUDA sources 13 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/a/Amber/AmberTools-20_cmake-locate-netcdf.patch: -------------------------------------------------------------------------------- 1 | Ensure that CMake recurses available paths if the Fortran libs aren't available in the netCDF module 2 | 3 | James Carpenter 2021-01-23 4 | --- amber20_src/cmake/jedbrown/FindNetCDF.cmake.orig 2020-04-28 02:19:51.000000000 +0100 5 | +++ amber20_src/cmake/jedbrown/FindNetCDF.cmake 2021-01-25 11:41:47.005657000 +0000 6 | @@ -52,6 +52,7 @@ 7 | 8 | macro (NetCDF_check_interface lang header libs) 9 | find_path (NetCDF_INCLUDES_${lang} NAMES ${header} HINTS "${NetCDF_INCLUDES}" NO_DEFAULT_PATH) 10 | + find_path (NetCDF_INCLUDES_${lang} NAMES ${header} HINTS "${NetCDF_INCLUDES}") 11 | 12 | find_library (NetCDF_LIBRARIES_${lang} NAMES ${libs} HINTS "${NetCDF_lib_dirs}") 13 | 14 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/b/Boost/README.md: -------------------------------------------------------------------------------- 1 | # Boost - additional configurations 2 | 3 | ### 1.72.0 from CPE 22.12 on 4 | 5 | - Downgrade needed for Trilinos 12. 6 | 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/c/CppUnit/CppUnit-1.15.1-cpeGNU-21.12.eb: -------------------------------------------------------------------------------- 1 | easyblock = 'ConfigureMake' 2 | 3 | name = 'CppUnit' 4 | version = '1.15.1' 5 | 6 | homepage = 'https://freedesktop.org/wiki/Software/cppunit/' 7 | 8 | whatis = [ 9 | 'Description: CppUnit is the C++ port of the famous JUnit framework for unit testing.' 10 | ] 11 | 12 | description = """ 13 | CppUnit is the C++ port of the famous JUnit framework for unit testing. 14 | """ 15 | 16 | toolchain = {'name': 'cpeGNU', 'version': '21.12'} 17 | 18 | source_urls = ['https://dev-www.libreoffice.org/src'] 19 | sources = [SOURCELOWER_TAR_GZ] 20 | checksums = ['89c5c6665337f56fd2db36bc3805a5619709d51fb136e51937072f63fcc717a7'] 21 | 22 | builddependencies = [ 23 | ('buildtools', '%(toolchain_version)s', '', True), 24 | ] 25 | 26 | sanity_check_paths = { 27 | 'files': ['lib/libcppunit.a', 'lib/libcppunit.%s' % SHLIB_EXT, 28 | 'lib/pkgconfig/cppunit.pc'], 29 | 'dirs': ['bin', 'include/cppunit', 'share'], 30 | } 31 | 32 | moduleclass = 'tools' 33 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/e/Elk/Elk-8.4.30-make.inc: -------------------------------------------------------------------------------- 1 | MAKE = make 2 | F90 = ftn 3 | F90_OPTS = -O3 -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch 4 | F77 = ftn 5 | F77_OPTS = -O3 -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch 6 | AR = ar 7 | LIB_SYS = 8 | LIB_FFT = fftlib.a 9 | SRC_OMP = 10 | SRC_MPI = 11 | SRC_MKL = mkl_stub.f90 12 | SRC_OBLAS = oblas_stub.f90 13 | SRC_BLIS = blis_stub.f90 14 | SRC_libxc = libxcifc_stub.f90 15 | SRC_FFT = zfftifc.f90 16 | SRC_W90S = w90_stub.f90 17 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/e/Elk/Elk-8.4.6-make.inc: -------------------------------------------------------------------------------- 1 | MAKE = make 2 | F90 = ftn 3 | F90_OPTS = -O3 -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch 4 | F77 = ftn 5 | F77_OPTS = -O3 -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch 6 | AR = ar 7 | LIB_SYS = 8 | LIB_FFT = fftlib.a 9 | SRC_OMP = 10 | SRC_MPI = 11 | SRC_MKL = mkl_stub.f90 12 | SRC_OBLAS = oblas_stub.f90 13 | SRC_BLIS = blis_stub.f90 14 | SRC_libxc = libxcifc_stub.f90 15 | SRC_FFT = zfftifc.f90 16 | SRC_W90S = w90_stub.f90 17 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/f/freeglut/LICENSE.md: -------------------------------------------------------------------------------- 1 | # FreeGLUT license information 2 | 3 | The FreeGLUT license information and copyright notice can be found in 4 | the [COPYING file in the freeglut GitHub](https://github.com/FreeGLUTProject/freeglut/blob/master/COPYING). 5 | 6 | A copy of this file will also be available as 7 | `$EBROOTFREEGLUT/share/licenses/freeglut/COPYING` after 8 | installation of the package and loading the module. 9 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/f/freeglut/README.md: -------------------------------------------------------------------------------- 1 | # freeglut instructions 2 | 3 | - [FreeGLUT web site on SourceForge](https://freeglut.sourceforge.net/) 4 | 5 | - [FreeGLUT repository on GitHub](https://github.com/FreeGLUTProject/freeglut) 6 | 7 | 8 | 9 | ## EasyBuild 10 | 11 | - [freeglut support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/f/freeglut) 12 | 13 | - [freeglut support in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/f/freeglut) 14 | 15 | 16 | ### Version 3.2.2 for cpeGNU/22.08 17 | 18 | - The EasyConfig is a direct port of the EasyBuilders one for the 2022a 19 | toolchains (GCCcore 11.3.0). 20 | 21 | - But added an option to install the libraries in `lib` instead of `lib64` 22 | to prepare for the future preparation of a bundle. 23 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/g/GSL/README.md: -------------------------------------------------------------------------------- 1 | # GSL 2 | 3 | * [GSL home page](https://www.gnu.org/software/gsl/) 4 | 5 | * [GSL download from the GNU server](https://ftp.gnu.org/gnu/gsl/) 6 | 7 | 8 | ## EasyBuild 9 | 10 | * [GSL support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/main/easybuild/easyconfigs/g/GSL) 11 | 12 | * [GSL support in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/g/GSL) 13 | 14 | 15 | ### Version 2.7-seq from CPE 21.12 on 16 | 17 | * The EasyConfig is a mix of the CSCS and Univerity of Antwerpen ones. 18 | * The EasyConfig has OpenMP disabled for compatibility with BCFtools 19 | 20 | 21 | ### CPE 22.06 22 | 23 | * The base software stack now contains both sequential and OpenMP versions of 24 | GSL, so EasyConfigs in the contributed repository are not needed if the 25 | version in the main software stack is OK. 26 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/g/GlobalArrays/LICENSE.md: -------------------------------------------------------------------------------- 1 | # GlobalArrays license 2 | 3 | GlobalArrays is contributed under the 4 | [BSD-3-Clause License](https://opensource.org/licenses/BSD-3-Clause). 5 | See also the 6 | [LICENSE file of the GlobalArrays repository](https://github.com/GlobalArrays/ga/blob/master/LICENSE). 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/g/GlobalArrays/README.md: -------------------------------------------------------------------------------- 1 | # GlobalArrays 2 | 3 | - [GlobalArrays web site](https://hpc.pnl.gov/globalarrays/) 4 | 5 | - [GlobalArrays on GitHub](https://github.com/GlobalArrays/ga) 6 | 7 | - [GitHub releases](https://github.com/GlobalArrays/ga/releases) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - [GlobalArrays in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/g/GlobalArrays) 13 | 14 | - There is no support for GlobalArrays in the CSCS repository. 15 | 16 | 17 | ### Version 5.8 for cpeGNU 21.08 and later 18 | 19 | - This EasyConfig is mostly an internal development. 20 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/g/glew/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Glew license information 2 | 3 | The GLEW license information is available towards the bottom of the 4 | [README.md file in the glew GitHub](https://github.com/nigels-com/glew/blob/master/README.md) 5 | and in the 6 | [LICENSE.TXT file in the glew GitHub](https://github.com/nigels-com/glew/blob/master/LICENSE.txt). 7 | 8 | GLEW is originally derived from the EXTGL project by Lev Povalahev. 9 | The source code is licensed under the 10 | [Modified BSD License](http://glew.sourceforge.net/glew.txt), the 11 | [Mesa 3-D License](http://glew.sourceforge.net/mesa.txt) (MIT) and the 12 | [Khronos License](http://glew.sourceforge.net/khronos.txt) (MIT). 13 | 14 | The automatic code generation scripts are released under the 15 | [GNU GPL](http://glew.sourceforge.net/gpl.txt). 16 | 17 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/h/Hypre/Hypre-2.26.0-cpeGNU-22.08.eb: -------------------------------------------------------------------------------- 1 | name = 'Hypre' 2 | version = '2.26.0' 3 | 4 | homepage = 'https://computation.llnl.gov/projects/hypre-scalable-linear-solvers-multigrid-methods' 5 | description = """Hypre is a library for solving large, sparse linear systems of equations on massively 6 | parallel computers. The problems of interest arise in the simulation codes being developed at LLNL 7 | and elsewhere to study physical phenomena in the defense, environmental, energy, and biological sciences.""" 8 | 9 | toolchain = {'name': 'cpeGNU', 'version': '22.08'} 10 | toolchainopts = {'openmp': True, 'pic': True} 11 | 12 | source_urls = ['https://github.com/hypre-space/hypre/archive/'] 13 | sources = ['v%(version)s.tar.gz'] 14 | 15 | start_dir = 'src' 16 | 17 | moduleclass = 'numlib' 18 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/h/Hypre/Hypre-2.26.0-cpeGNU-22.12.eb: -------------------------------------------------------------------------------- 1 | name = 'Hypre' 2 | version = '2.26.0' 3 | 4 | homepage = 'https://computation.llnl.gov/projects/hypre-scalable-linear-solvers-multigrid-methods' 5 | description = """Hypre is a library for solving large, sparse linear systems of equations on massively 6 | parallel computers. The problems of interest arise in the simulation codes being developed at LLNL 7 | and elsewhere to study physical phenomena in the defense, environmental, energy, and biological sciences.""" 8 | 9 | toolchain = {'name': 'cpeGNU', 'version': '22.12'} 10 | toolchainopts = {'openmp': True, 'pic': True} 11 | 12 | source_urls = ['https://github.com/hypre-space/hypre/archive/'] 13 | sources = ['v%(version)s.tar.gz'] 14 | 15 | start_dir = 'src' 16 | 17 | moduleclass = 'numlib' 18 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/h/hipSYCL/LICENSE.md: -------------------------------------------------------------------------------- 1 | # hipSYCL license information 2 | 3 | HipSYCL is licensed under a BSD 2-Clause Simplified License. 4 | See the 5 | [LICENSE file in the GitHub repostory](https://github.com/illuhad/hipSYCL/blob/develop/LICENSE). 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/j/jax/LICENSE.md: -------------------------------------------------------------------------------- 1 | JAX distributed under the Apache License 2.0. A copy is available in the 2 | [JAX Github repository](https://github.com/google/jax/blob/main/LICENSE) -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/j/jax/README.md: -------------------------------------------------------------------------------- 1 | # JAX 2 | 3 | - [JAX home page and documentation](https://jax.readthedocs.io/en/latest/) 4 | 5 | - [JAX Github repository](https://github.com/google/jax) 6 | 7 | 8 | ## EasyBuild 9 | 10 | - [JAX support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/main/easybuild/easyconfigs/j/jax) 11 | 12 | ### Version 0.3.20 for cpeGNU and cpeCray 13 | 14 | - The easyconfig and easyblock are derived from the official EasyBuilders ones. 15 | 16 | ### Version 0.4.1 for cpeGNU and cpeCray 22.08 17 | 18 | - The easyconfig and easyblock are derived from the official EasyBuilders ones. -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/j/jax/USER.md: -------------------------------------------------------------------------------- 1 | JAX is very sensitive to the ROCm version. It is therefore difficult to provide 2 | easyconfigs for the very latest version JAX that compile with the ROCm versions 3 | currently installed on LUMI. 4 | 5 | JAX support for ROCm is still experimental and the easyconfigs are provided "as 6 | is" by the LUMI User Support Team. Some benchmarks have shown that performance 7 | is far from being on par with performance on NVIDIA hardware. -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/j/jax/jaxlib_local-tensorflow-repo.sed: -------------------------------------------------------------------------------- 1 | /^http_archive(/{ 2 | :a;N;/\n)/!ba; 3 | /org_tensorflow/{ 4 | s/^/# /; 5 | s/\n/\n# /g; 6 | s|$|\ 7 | local_repository(\ 8 | name = "org_tensorflow",\ 9 | path = "EB_TF_REPOPATH",\ 10 | )|; 11 | } 12 | } 13 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/k/KaHIP/KaHIP-3.14-cpeGNU-22.12.eb: -------------------------------------------------------------------------------- 1 | easyblock = 'CMakeMake' 2 | 3 | name = 'KaHIP' 4 | version = '3.14' 5 | 6 | homepage = 'https://kahip.github.io/' 7 | description = """The graph partitioning framework KaHIP -- Karlsruhe High Quality Partitioning.""" 8 | 9 | toolchain = {'name': 'cpeGNU', 'version': '22.12'} 10 | toolchainopts = {'pic': True} 11 | 12 | source_urls = ['https://github.com/KaHIP/KaHIP/archive/refs/tags'] 13 | sources = ['v%(version)s.tar.gz'] 14 | checksums = ['9da04f3b0ea53b50eae670d6014ff54c0df2cb40f6679b2f6a96840c1217f242'] 15 | 16 | builddependencies = [ 17 | ('buildtools', '%(toolchain_version)s', '', True), 18 | ] 19 | 20 | sanity_check_paths = { 21 | 'files': ["lib/libkahip_static.a", "lib/libkahip.so"] + 22 | ["lib/libparhip_interface_static.a", "lib/libparhip_interface.so"] + 23 | ["include/%s" % x for x in ["kaHIP_interface.h", "parhip_interface.h"]], 24 | 'dirs': [], 25 | } 26 | 27 | moduleclass = 'math' 28 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/k/KaHIP/LICENSE.md: -------------------------------------------------------------------------------- 1 | # KaHIP license 2 | 3 | KaHIP is covered by an [MIT License](https://opensource.org/license/mit/), 4 | a copy of which can be found in the 5 | [LICENCSE file in the KaHIP GitHub repository](https://github.com/KaHIP/KaHIP/blob/master/LICENSE). 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/k/KaHIP/README.md: -------------------------------------------------------------------------------- 1 | # KaHIP technical information 2 | 3 | - [KaHIP home page](https://kahip.github.io/) 4 | 5 | - [KaHIP on GitHub](https://github.com/KaHIP/KaHIP) 6 | 7 | - [GitHub releases](https://github.com/KaHIP/KaHIP/releases) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - [Support for KaHIP in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/k/KaHIP) 13 | 14 | - There is no support for KaHIP in the CSCS repository. 15 | 16 | - [Support for KaHIP in Spack](https://packages.spack.io/package.html?name=kahip) 17 | 18 | 19 | ### Version 3.14 for 22.12 20 | 21 | - The EasyConfig is a straightforward port of the one from the EasyBuilders repository. 22 | 23 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/k/KaHIP/USER.md: -------------------------------------------------------------------------------- 1 | # KaHIP User Information 2 | 3 | [KaHIP](https://kahip.github.io/) stands for 4 | Karlsruhe High Quality Partitioning. 5 | It is a family of graph partitioning programs. 6 | 7 | Contrary to what it's name may suggest, it is not a program that uses 8 | HIP from ROCm or is GPU-accelerated. 9 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/l/LLVM/README.md: -------------------------------------------------------------------------------- 1 | # LLVM instructions 2 | 3 | LLVM, mostly meant to be used in the OpenGL stack. These EasyConfigs are certainly 4 | not meant to be a replacement for the HPE Cray or AMD compilers on LUMI. 5 | 6 | - [LLVM web site](https://llvm.org/) 7 | 8 | - [LLVM Documentation](https://llvm.org/docs/) 9 | 10 | - [GitHub](https://github.com/llvm/llvm-project) 11 | 12 | - [GitHub releases](https://github.com/llvm/llvm-project/releases) 13 | 14 | 15 | ## EasyBuild 16 | 17 | - [LLVM support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/l/LLVM) 18 | 19 | - [LLVM support in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/l/LLVM) 20 | 21 | 22 | ### Version 14.0.6 for cpeGNU/22.08 23 | 24 | - This EasyConfig is a direct port of the EasyBuilders one. 25 | 26 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/l/libGLU/LICENSE.md: -------------------------------------------------------------------------------- 1 | # libGLU license information 2 | 3 | No license information could be found for the OpenGL Utiltiy Library. 4 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/l/libGLU/README.md: -------------------------------------------------------------------------------- 1 | # libGLU instructions 2 | 3 | The libGLU library is a library that is currently maintained within the 4 | [freedesktop.org Mesa project](https://www.mesa3d.org/). 5 | Note that the library relies on features that are deprecated in the 6 | recent OpenGL standard, so it may not be long for this world anymore. 7 | 8 | 9 | - [libGLU on the freedesktop.org GitLab](https://gitlab.freedesktop.org/mesa/glu) 10 | 11 | - [libGLU downloads](https://mesa.freedesktop.org/archive/glu/) 12 | 13 | ## EasyBuild 14 | 15 | - [libGLU support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/l/libGLU) 16 | 17 | - [libGLU in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/l/libGLU) 18 | 19 | 20 | ### Version 9.0.2 for cpeGNU/22.08 21 | 22 | - The EasyConfig is a trivial port of the EasyBuilders one for the 2022a toolchain. 23 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/l/libglvnd/LICENSE.md: -------------------------------------------------------------------------------- 1 | # libglvnd license information 2 | 3 | Information on the licenses covering libglvnd is available in the 4 | README.md file included with the sources, see 5 | [the README.md file in the GitLab repository](https://gitlab.freedesktop.org/glvnd/libglvnd/-/blob/master/README.md). 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/l/libglvnd/README.md: -------------------------------------------------------------------------------- 1 | # libglvnd instructions 2 | 3 | libglvnd: the GL Ventdor-Neutral Dispatch library 4 | 5 | - [libglvnd GitLab](https://gitlab.freedesktop.org/glvnd/libglvnd) 6 | 7 | - [Release info in tags](https://gitlab.freedesktop.org/glvnd/libglvnd/-/tags) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - [libglvnd support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/l/libglvnd) 13 | 14 | - There is no support for libglvnd in the CSCS repository. 15 | 16 | 17 | ### Version 1.4.0 for cpeGNU/22.08 18 | 19 | - The EasyConfig is a port of the EasyBuilders one. 20 | 21 | - Note that 1.5.0 was out at the time of writing, but we're following the 22 | 2022a common toolchain of EasyBuild for this version of the GL stack. 23 | 24 | 25 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/m/Mesa-demos/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Mesa-demos license information 2 | 3 | No information could be found on the license for the Mesa demos. 4 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/m/Mesa-demos/README.md: -------------------------------------------------------------------------------- 1 | # Mesa-demos instruction 2 | 3 | - [Mesa-demos on GitLab](https://gitlab.freedesktop.org/mesa/demos) 4 | 5 | - [Mesa-demos downloads](https://archive.mesa3d.org/demos/) 6 | 7 | 8 | ## EasyBuild 9 | 10 | - [Support for Mesa-demos in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/m/Mesa-demos) 11 | 12 | - There is no support for Mesa-demos in the CSCS repository. 13 | 14 | 15 | ### Version 8.5.0 for cpeGNU/22.08 16 | 17 | - The EasyConfig is inspired by the one for version 8.4.0 in the EasyBuilders 18 | repository as there was none available for 8.5.0 yet. However, the build system 19 | was switched to Meson and Ninja in this version. 20 | 21 | - Note that most commands will not run without a GLX-enabled X server. The server 22 | in the lumi-vnc module at the time of writing does NOT offer this facility. 23 | 24 | 25 | 26 | 27 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/m/Mesa/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Mesa license information 2 | 3 | The Mesa distribution consists of several components. Different copyrights 4 | and licenses apply to different components. 5 | More information is available on the 6 | ["License and Copyright" page in the Mesa documentation](https://docs.mesa3d.org/license.html). 7 | 8 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/n/NWChem/LICENSE.md: -------------------------------------------------------------------------------- 1 | # NWChem license information 2 | 3 | License information for version 7 and newer is available on the 4 | [new NWChem home page](https://nwchemgit.github.io/). 5 | The code is distributed as open-source under the terms of the 6 | [Educational Community License version 2.0 (ECL 2.0)](https://opensource.org/licenses/ecl2.php). 7 | 8 | The license notice can also be found in the 9 | [LICENSE file in the source repository](https://github.com/nwchemgit/nwchem/blob/master/LICENSE.TXT). 10 | 11 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/n/NWChem/README.md: -------------------------------------------------------------------------------- 1 | # NWChem instructions 2 | 3 | - [NWChem web site](https://www.nwchem-sw.org), but that one seems out-of-date as it 4 | does not mention the 7.0 versions. 5 | 6 | - [NWChem web site on GitHub.io](https://nwchemgit.github.io/) 7 | 8 | - [NWChem on GitHub](https://github.com/nwchemgit/nwchem) 9 | 10 | - [GitHub releases via tags](https://github.com/nwchemgit/nwchem/tags) 11 | 12 | 13 | ## EasyBuild 14 | 15 | - [Support for NWChem in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/n/NWChem) 16 | 17 | - There is no support for NWChem in the CSCS repository 18 | 19 | 20 | ### Version 7.0.2 for cpeGNU 21.08 21 | 22 | - The EasyConfig file is inspired by the EasyBuilders one but did need some 23 | reworking. 24 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/n/Nek5000/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Nek5000 license information 2 | 3 | The Nek5000 license can be found in the 4 | [LICENSE file of the Nek5000 GitHub repository](https://github.com/Nek5000/Nek5000/blob/master/LICENSE). 5 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/n/Nek5000/README.md: -------------------------------------------------------------------------------- 1 | # Nek5000 2 | 3 | * [Nek5000 Website](https://nek5000.mcs.anl.gov) 4 | * [Nek5000 on GitHub](https://github.com/Nek5000/Nek5000) 5 | 6 | ## Recipe details 7 | 8 | It is a minimal build instruction for tests. Usable only for GNU based programming environment. 9 | 10 | 11 | ## EasyBuild 12 | 13 | * [Nek5000 in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/n/Nek5000) 14 | 15 | ### Version 19.0 for CPE GNU 21.12 16 | 17 | * The EasyConfig is derived from the easybuilders repo 18 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/o/OpenMM/LICENSE.md: -------------------------------------------------------------------------------- 1 | # OpenMM license information 2 | 3 | The precise license for OpenMM is unclear. 4 | 5 | The GitHub repository does state a code of conduct in the 6 | [CODE_OF_CONDUCT.md file](https://github.com/openmm/openmm/blob/master/CODE_OF_CONDUCT.md). 7 | 8 | The User Guide does require you to cite a publication, see the 9 | ["Introduction" section of the User Guide](http://docs.openmm.org/latest/userguide/introduction.html#referencing-openmm). 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/o/OpenMM/README.md: -------------------------------------------------------------------------------- 1 | # OpenMM 2 | 3 | * [OpenMM Website](https://openmm.org/) 4 | 5 | ## General information 6 | 7 | OpenMM is a high-performance toolkit for molecular simulation. You can use it as 8 | an application, a library, or a flexible programming environment. It include 9 | extensive language bindings for Python, C, C++, and Fortran. 10 | 11 | ## EasyBuild 12 | 13 | * [OpenMM in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/o/OpenMM) 14 | 15 | ### Version 7.5.1 for CPE GNU 21.08 16 | 17 | * The EasyConfig is derived from the EasyBuilders one 18 | * Include a patch to fix problem when building with Doxygen 1.9 used in 19 | `buildtools` 20 | 21 | ### Version 7.5.1 for CPE Cray 21.08 22 | 23 | One of the test fail (segfault), be aware of it if you are using this version. 24 | 25 | * The EasyConfig is derived from the EasyBuilders one 26 | * Include a patch to fix problem when building with Doxygen 1.9 used in 27 | `buildtools` 28 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/p/PROJ/README.md: -------------------------------------------------------------------------------- 1 | # PROJ instructions 2 | 3 | - [PROJ web site](https://proj.org/) 4 | 5 | - [PROJ on GitHub](https://github.com/OSGeo/PROJ) 6 | 7 | - [GitHub releases](https://github.com/OSGeo/PROJ/releases) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - [PROJ in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/p/PROJ) 13 | 14 | - [PROJ in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/p/PROJ) 15 | 16 | 17 | ### Version 9.1.1 for cpeGNU/22.08 18 | 19 | - The EasyConfig is derived from th EasyBuilders one, but we are using the internal 20 | nlohmann/json library. As that is a header file-only library there is no need 21 | to have this on the system. 22 | 23 | We currently also use the internal gtest rather than one installed with EasyBuild. 24 | 25 | - Switched to `lib` as the install directory for the libraries. 26 | 27 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/p/ParaView/LICENSE.md: -------------------------------------------------------------------------------- 1 | # ParaView license information 2 | 3 | ParaView is distributed under the 4 | [3-Clause BSD License](https://opensource.org/licenses/BSD-3-Clause). 5 | Some packages leveraged by ParaView have different licenses. 6 | The exact licensr formulation for Paraview and those packages can 7 | be found on the 8 | ["ParaView License" page of the ParaView web site](https://www.paraview.org/license/). 9 | 10 | 11 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/p/ParaView/files/paraview-connect-dialog.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Lumi-supercomputer/LUMI-EasyBuild-contrib/2b2ddcdc843cf87757faa693dec32b902ebead05/easybuild/easyconfigs/__archive__/p/ParaView/files/paraview-connect-dialog.png -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/p/ParaView/files/paraview-connect-info.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Lumi-supercomputer/LUMI-EasyBuild-contrib/2b2ddcdc843cf87757faa693dec32b902ebead05/easybuild/easyconfigs/__archive__/p/ParaView/files/paraview-connect-info.png -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/p/ParaView/files/paraview-connect-menu.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Lumi-supercomputer/LUMI-EasyBuild-contrib/2b2ddcdc843cf87757faa693dec32b902ebead05/easybuild/easyconfigs/__archive__/p/ParaView/files/paraview-connect-menu.png -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/p/ParaView/files/paraview-connect-server-conf.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Lumi-supercomputer/LUMI-EasyBuild-contrib/2b2ddcdc843cf87757faa693dec32b902ebead05/easybuild/easyconfigs/__archive__/p/ParaView/files/paraview-connect-server-conf.png -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/p/ParaView/files/paraview-connect.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Lumi-supercomputer/LUMI-EasyBuild-contrib/2b2ddcdc843cf87757faa693dec32b902ebead05/easybuild/easyconfigs/__archive__/p/ParaView/files/paraview-connect.png -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/p/ParaView/files/paraview-step1.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Lumi-supercomputer/LUMI-EasyBuild-contrib/2b2ddcdc843cf87757faa693dec32b902ebead05/easybuild/easyconfigs/__archive__/p/ParaView/files/paraview-step1.png -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/p/ParaView/files/paraview-step2.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Lumi-supercomputer/LUMI-EasyBuild-contrib/2b2ddcdc843cf87757faa693dec32b902ebead05/easybuild/easyconfigs/__archive__/p/ParaView/files/paraview-step2.png -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/p/ParaView/files/paraview-step3.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Lumi-supercomputer/LUMI-EasyBuild-contrib/2b2ddcdc843cf87757faa693dec32b902ebead05/easybuild/easyconfigs/__archive__/p/ParaView/files/paraview-step3.png -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/r/R/Rmpi-0.6-9.2_Cray.patch: -------------------------------------------------------------------------------- 1 | --- Rmpi/configure.orig 2022-08-10 12:04:09.178493481 +0300 2 | +++ Rmpi/configure 2022-08-10 12:04:30.678222051 +0300 3 | @@ -3797,7 +3797,7 @@ 4 | PKG_LIBS="-Wl,-rpath,${MPI_LIBPATH} -L${MPI_LIBPATH} -lmpich -lmpigf -lmpigi ${MPI_LIBS}" 5 | ;; 6 | CRAY) 7 | - PKG_LIBS="-L${MPI_LIBPATH} -lmpich_cray_default64 -lmpl -lopa ${MPI_LIBS}" 8 | + PKG_LIBS="${MPI_LIBS}" 9 | ;; 10 | *) 11 | as_fn_error $? "Unknown type of mpi: use --with-Rmpi-type or RMPI_TYPE to specify it" "$LINENO" 5 12 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/r/R/Rmpi-0.7-1_Cray.patch: -------------------------------------------------------------------------------- 1 | --- Rmpi/configure.orig 2022-08-10 12:04:09.178493481 +0300 2 | +++ Rmpi/configure 2022-08-10 12:04:30.678222051 +0300 3 | @@ -3797,7 +3797,7 @@ 4 | PKG_LIBS="-Wl,-rpath,${MPI_LIBPATH} -L${MPI_LIBPATH} -lmpich -lmpigf -lmpigi ${MPI_LIBS}" 5 | ;; 6 | CRAY) 7 | - PKG_LIBS="-L${MPI_LIBPATH} -lmpich_cray_default64 -lmpl -lopa ${MPI_LIBS}" 8 | + PKG_LIBS="${MPI_LIBS}" 9 | ;; 10 | *) 11 | as_fn_error $? "Unknown type of mpi: use --with-Rmpi-type or RMPI_TYPE to specify it" "$LINENO" 5 12 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/r/RSPt/LICENSE.md: -------------------------------------------------------------------------------- 1 | # RSPt license information 2 | 3 | RSPt is distributed under the 4 | [GNU General Pulblic License version 2](https://www.gnu.org/licenses/old-licenses/gpl-2.0.en.html). 5 | 6 | Registration is required before the software can be downloaded, see the 7 | [FAQ on RSPt](https://www.physics.uu.se/research/materials-theory/ongoing-research/code-development/rspt-main/faq-on-rspt/). 8 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/r/RSPt/README.md: -------------------------------------------------------------------------------- 1 | # RSPt instructions 2 | 3 | * [RSPt home page](https://www.physics.uu.se/research/materials-theory/ongoing-research/code-development/rspt-main/) 4 | 5 | Note that getting access to the sources requires registration, so 6 | a fully automated install is not possible. One needs to get the 7 | sources by hand and put them in a place where EasyBuild can find 8 | them. 9 | 10 | ## EasyBuild 11 | 12 | * There is no support for RSPt in the EasyBuilders repository. 13 | 14 | * There is no support for RSPt in the CSCS repository. 15 | 16 | 17 | ### RSPt 20211004 for cpeGNU 21.12 and 22.06 18 | 19 | * The EasyConfig is our own development. 20 | 21 | * The 22.06 is not fully tested as the sources were not available 22 | to the author. 23 | 24 | ### RSPt 20230120 for cpeGNU 22.06 and 22.12 25 | 26 | * The RSPTmake.inc is generated by the EasyConfig 27 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/r/RSPt/RSPTmake.inc: -------------------------------------------------------------------------------- 1 | # RSPt make.inc for Gnu toolchain 2 | # ml swap PrgEnv-cray/8.2.0 PrgEnv-gnu/8.2.0 3 | # ml add cray-fftw/3.3.8.12 4 | # 5 | FHOME = 6 | FCOMPILER = ftn 7 | FCOMPILERFLAGS = -O3 -march=znver2 -mtune=znver2 -mfma -mavx2 -m3dnow -fomit-frame-pointer -ffree-line-length-0 -fallow-argument-mismatch 8 | FCPPFLAGS = -DMPI -DMEMORY_STORE -fallow-argument-mismatch 9 | FTARGETARCH = 10 | FORTRANLIBS = 11 | F90COMPILER = ftn 12 | F90COMPILERFLAGS = $(FCOMPILERFLAGS) -ffree-form 13 | # gcc 14 | CCOMPILER = ftn 15 | #CCOMPILER = cc -lmpifort_cray 16 | CCOMPILERFLAGS = -O3 -march=znver2 -mtune=znver2 -mfma -mavx2 -m3dnow -fomit-frame-pointer 17 | CTARGETARCH = 18 | CPPFLAGS = -DMPI -DMEMORY_STORE -fallow-argument-mismatch 19 | CLOADER = 20 | 21 | ## LIBRARIES AND INCLUDE DIRECTORIES 22 | LAPACKLIB = 23 | BLASLIB = 24 | FFTWLIB = 25 | EXTRALIBS = -z muldefs 26 | INCLUDEDIRS = 27 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/r/rclone/LICENSE.md: -------------------------------------------------------------------------------- 1 | # rclone license information 2 | 3 | Rclone is distrubuted under the MIT License a copy of which can be found in the 4 | [COPYING file in the GitHub repository](https://github.com/rclone/rclone/blob/master/COPYING). 5 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/s/SIRIUS/LICENSE.md: -------------------------------------------------------------------------------- 1 | # SIRIUS License Information 2 | 3 | Sirius is licensed under a BSD 2-Clause License, a copy of which can be found in the 4 | [LICENSE file in the GitHub repository](https://github.com/electronic-structure/SIRIUS/blob/master/LICENSE). 5 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/s/SIRIUS/README.md: -------------------------------------------------------------------------------- 1 | # SIRIUS 2 | 3 | * [SIRIUS repository](https://github.com/electronic-structure/SIRIUS) 4 | 5 | ## General information 6 | 7 | SIRIUS is a domain specific library for electronic structure calculations. It 8 | implements pseudopotential plane wave (PP-PW) and full potential linearized 9 | augmented plane wave (FP-LAPW) methods and is designed for GPU acceleration of 10 | popular community codes such as Exciting, Elk and Quantum ESPRESSO. SIRIUS is 11 | written in C++14 with MPI, OpenMP and CUDA/ROCm programming models. SIRIUS is 12 | organised as a collection of classes that abstract away the different building 13 | blocks of DFT self-consistency cycle. 14 | 15 | ## EasyBuild 16 | 17 | * [SIRIUS in the CSCS repository](https://github.com/easybuilders/CSCS/tree/master/easybuild/easyconfigs/s/SIRIUS) 18 | 19 | ### Version 1.0.5 for CPE 21.08 20 | 21 | * The EasyConfig is derived from the CSCS one -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/t/Trilinos/trilinos-boostlib-tpl-lib-list.patch: -------------------------------------------------------------------------------- 1 | Make sure that Trilinos knows about _all_ the boost libraries that are needed 2 | by Trilinos packages (namely STK) 3 | 4 | --- a/cmake/TPLs/FindTPLBoostLib.cmake 5 | +++ b/cmake/TPLs/FindTPLBoostLib.cmake 6 | @@ -57,6 +57,6 @@ 7 | 8 | TRIBITS_TPL_DECLARE_LIBRARIES( BoostLib 9 | REQUIRED_HEADERS boost/version.hpp boost/mpl/at.hpp 10 | - REQUIRED_LIBS_NAMES boost_program_options boost_system 11 | + REQUIRED_LIBS_NAMES boost_regex boost_timer boost_chrono boost_system boost_program_options 12 | ) 13 | 14 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/t/Trilinos/trilinos-fei-test-utils.patch: -------------------------------------------------------------------------------- 1 | Do not build test_utils library unless tests are requested. 2 | 3 | --- trilinos-12.2.1-Source/packages/fei/CMakeLists.txt 4 | +++ trilinos-12.2.1-Source/packages/fei/CMakeLists.txt 5 | @@ -63,9 +63,9 @@ 6 | 7 | ADD_SUBDIRECTORY(base) 8 | ADD_SUBDIRECTORY(support-Trilinos) 9 | -ADD_SUBDIRECTORY(test_utils) 10 | 11 | 12 | +TRIBITS_ADD_TEST_DIRECTORIES(test_utils) 13 | TRIBITS_ADD_TEST_DIRECTORIES(test) 14 | TRIBITS_ADD_TEST_DIRECTORIES(unit_tests_base) 15 | TRIBITS_ADD_TEST_DIRECTORIES(unit_tests) 16 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/t/Trilinos/trilinos-stk-platform.patch: -------------------------------------------------------------------------------- 1 | * STK Platform loads some system headers based on which compiler is being 2 | used, because the structs and functions it needs are in different places for 3 | different compilers. In the public release it doesn't have support for CCE. 4 | 5 | --- a/packages/stk/stk_util/stk_util/diag/Platform.cpp 6 | +++ b/packages/stk/stk_util/stk_util/diag/Platform.cpp 7 | @@ -109,6 +109,13 @@ 8 | #include 9 | #include 10 | 11 | +#elif defined(_CRAYC) 12 | +#include 13 | +#include 14 | +#include 15 | +#include 16 | +#include 17 | + 18 | #else 19 | #include 20 | #include 21 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/t/Trilinos/trilinos-stk-util-env.patch: -------------------------------------------------------------------------------- 1 | Make sure STKUtil knows where to find 'struct timezone', 2 | 'gettimeofday', 'struct rusage', 'getrusage' when compiling with CCE. 3 | 4 | Upstreamed in release 12.14.1. 5 | 6 | --- a/packages/stk/stk_util/stk_util/environment/Env.cpp 2014-08-04 17:00:38.000000000 -0500 7 | +++ b/packages/stk/stk_util/stk_util/environment/Env.cpp 2014-09-05 09:26:42.000021000 -0500 8 | @@ -31,7 +31,7 @@ 9 | #include "boost/program_options/variables_map.hpp" // for variables_map, etc 10 | #include "stk_util/environment/ReportHandler.hpp" // for ThrowRequire 11 | 12 | -#if defined(__GNUC__) 13 | +#if defined(__GNUC__) || defined(_CRAYC) 14 | #include 15 | #include 16 | #include 17 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/v/VASP/build02.patch: -------------------------------------------------------------------------------- 1 | --- src/lib/drdatab.F 2019-11-04 15:45:34.000000000 +0200 2 | +++ ../vasp.5.4.4.pl2/src/lib/drdatab.F 2023-01-29 11:19:24.000000000 +0200 3 | @@ -125,7 +125,7 @@ 4 | WORK=FNAM 5 | CALL STRIP(WORK,L,'A') 6 | IF (L.EQ.0) GOTO 10 7 | - OPEN(IU,FILE=WORK(1:L),STATUS='OLD',ERR=10) 8 | + OPEN(IU,FILE=WORK(1:L),STATUS='OLD',ACTION='READ',ERR=10) 9 | ELSE 10 | REWIND IU 11 | ENDIF 12 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/w/WRF/LICENSE.md: -------------------------------------------------------------------------------- 1 | # WRF license information 2 | 3 | *We could not find any license information on WRF.* 4 | 5 | However, the [WRF Users' Page](https://www2.mmm.ucar.edu/wrf/users/) does 6 | contain the ["WRF Public Domain Notice"](https://www2.mmm.ucar.edu/wrf/users/public_domain_notice.html) 7 | which is a "light" version of the typical license document. 8 | 9 | Citation of some WRF papers is also encouraged as can be seen on the 10 | ["How to Cite the WRF-ARW-Model" page](https://www2.mmm.ucar.edu/wrf/users/citing_wrf.html). 11 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/w/WRF/README.md: -------------------------------------------------------------------------------- 1 | # WRF 2 | 3 | * [WRF home page](https://www.mmm.ucar.edu/weather-research-and-forecasting-model) 4 | 5 | * [WRF Users' Page](https://www2.mmm.ucar.edu/wrf/users/) 6 | 7 | 8 | ## EasyBuild 9 | 10 | * [WRF support in the EasyBuilders repository]|(https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/w/WRF) 11 | 12 | * There is no WRF support in the CSCS repository -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/w/wheel/wheel-0.37.0-cpeGNU-22.08.eb: -------------------------------------------------------------------------------- 1 | # contributed by Rafael Sarmiento and Luca Marsella (CSCS) 2 | easyblock = 'PythonPackage' 3 | 4 | name = 'wheel' 5 | version = '0.37.0' 6 | 7 | homepage = 'https://pypi.python.org/pypi/wheel' 8 | description = """A built-package format for Python.""" 9 | 10 | toolchain = {'name': 'cpeGNU', 'version': '22.08'} 11 | 12 | sources = [SOURCE_TAR_GZ] 13 | 14 | dependencies = [ 15 | ('cray-python', EXTERNAL_MODULE), 16 | ] 17 | 18 | use_pip = True 19 | 20 | sanity_check_paths = { 21 | 'files': ['bin/%(name)s'], 22 | 'dirs': ['lib/python%(pyshortver)s/site-packages'], 23 | } 24 | 25 | moduleclass = 'tools' 26 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/__archive__/x/xterm/LICENSE.md: -------------------------------------------------------------------------------- 1 | # xterm license 2 | 3 | The xterm license can be found in the 4 | [COPYING file in the source repository](https://github.com/ThomasDickey/xterm-snapshots/blob/master/COPYING). 5 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/a/ADIOS2/LICENSE.md: -------------------------------------------------------------------------------- 1 | # ADIOS2 License 2 | 3 | ADIOS2 is licensed under the Apckae License Version 2.0. 4 | 5 | [The full text is available in the ADIOS2 GitHub repository](https://raw.githubusercontent.com/ornladios/ADIOS2/master/LICENSE). 6 | 7 | From LUMI/24.03 on, this information can also be found in 8 | `$EBROOTADIOS2/share/licenses/ADIOS2` after installing and loading the module. 9 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/a/ANTLR/ANTLR-2.7.7_includes.patch: -------------------------------------------------------------------------------- 1 | #include missing hraders 2 | #By B. Hajgato August 31st 2015 3 | -- lib/cpp/antlr/CharScanner.hpp.org 2006-11-01 22:37:17.000000000 +0100 4 | +++ lib/cpp/antlr/CharScanner.hpp 2015-08-31 14:16:49.676709500 +0200 5 | @@ -11,6 +11,8 @@ 6 | #include 7 | 8 | #include 9 | +#include 10 | +#include 11 | 12 | #ifdef HAS_NOT_CCTYPE_H 13 | #include 14 | --- lib/cpp/src/NoViableAltForCharException.cpp.org 2006-11-01 22:37:17.000000000 +0100 15 | +++ lib/cpp/src/NoViableAltForCharException.cpp 2015-08-31 11:17:31.301226926 +0200 16 | @@ -5,6 +5,9 @@ 17 | * $Id: //depot/code/org.antlr/release/antlr-2.7.7/lib/cpp/src/NoViableAltForCharException.cpp#2 $ 18 | */ 19 | 20 | +#include 21 | +#include 22 | + 23 | #include "antlr/NoViableAltForCharException.hpp" 24 | #include "antlr/String.hpp" 25 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/a/ANTLR/LICENSE.md: -------------------------------------------------------------------------------- 1 | # ANTLR License 2 | 3 | ANTLR version 2 is fully in the public domain. 4 | 5 | [Its license can be read online.](https://www.antlr2.org/license.html). 6 | 7 | From LUMI/22.12 onwards the license can also be found after installation and loading of the module in 8 | the `$EBROOTANTLR/share/licenses/ANTLR` directory. 9 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/a/AdaptiveCpp/LICENSE.md: -------------------------------------------------------------------------------- 1 | # AdaptiveCpp license information 2 | 3 | AdaptiveCpp is licensed under a BSD 2-Clause Simplified License. 4 | See the 5 | [LICENSE file in the GitHub repostory](https://github.com/AdaptiveCpp/AdaptiveCpp/blob/develop/LICENSE). 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/a/AdaptiveCpp/README.md: -------------------------------------------------------------------------------- 1 | # Package 2 | 3 | - [AdaptiveCpp on GitHub](https://github.com/AdaptiveCpp/AdaptiveCpp) 4 | - Formerly known as hipSYCL and Open SYCL 5 | 6 | 7 | ## EasyBuild 8 | 9 | - There is no support for AdaptiveCpp in the EasyBuilders repository. 10 | 11 | - There is no support for AdaptiveCpp in the CSCS repository. 12 | 13 | 14 | ### Release 23.10.0 for CPE 22.12 and CPE 23.09 15 | 16 | - Recommended version for CPE 23.09 is 23.10.0 with ROCm 5.4.6 17 | 18 | - Rely on cpeAMD EasyBuild toolchain 19 | 20 | - CPE 22.12 recipe uses default ROCm 5.2.3 21 | 22 | - CPE 23.09 recipe with ROCm 5.6.1 has issues with performance on multiple nodes due to driver and/or GTL library incompatibility 23 | 24 | - All the recipes rely on ROCm LLVM entirely which misses libraries required to 25 | enable the single pass compiler feature of ACPP. 26 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/a/AdaptiveCpp/acpp-23.10-hip-allocator.patch: -------------------------------------------------------------------------------- 1 | --- AdaptiveCpp/src/runtime/hip/hip_allocator_orig.cpp 2024-03-01 16:18:13.000000000 +0200 2 | +++ AdaptiveCpp/src/runtime/hip/hip_allocator.cpp 2024-03-01 16:18:55.000000000 +0200 3 | @@ -59,7 +59,7 @@ 4 | void *ptr; 5 | hip_device_manager::get().activate_device(_dev); 6 | 7 | - hipError_t err = hipHostMalloc(&ptr, bytes, hipHostMallocDefault); 8 | + hipError_t err = hipHostMalloc(&ptr, bytes, hipHostMallocDefault | hipHostMallocNumaUser ); 9 | 10 | if (err != hipSuccess) { 11 | register_error(__hipsycl_here(), 12 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/a/Amber/Amber-24_cusparse_LinearSolvers_ugly_fix.patch: -------------------------------------------------------------------------------- 1 | --- /users/maciszpin/project_8/amber24_src/AmberTools/src/pbsa/cusparse_LinearSolvers.cu 2024-04-29 20:47:47.000000000 +0300 2 | +++ /run/user/10012235/easybuild/build/Amber/24.0/cpeGNU-23.09-AmberTools-24.0-GPU/amber24_src/AmberTools/src/pbsa/cusparse_LinearSolvers.cu 2024-07-11 12:04:35.275707492 +0300 3 | @@ -22,6 +22,10 @@ 4 | #endif 5 | #include "helper_cuda.h" // For error handling and device pickup 6 | 7 | +#if defined(AMBER_PLATFORM_AMD) 8 | +#define cusparseErrorCheck(err) { } 9 | +#endif 10 | + 11 | // 12 | // Standard conjugate gradient method without preconditioner 13 | // Matrix in the CSR format. Coded with the CUSPARSE library 14 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/a/Amber/Amber-24_remove_open-pal-link.patch: -------------------------------------------------------------------------------- 1 | --- amber24_src/src/pmemd/src/cuda/CMakeLists.txt 2024-04-29 20:47:47.000000000 +0300 2 | +++ amber24_src_patched/src/pmemd/src/cuda/CMakeLists.txt 2024-06-27 22:26:47.000000000 +0300 3 | @@ -81,7 +81,6 @@ 4 | if(HIP AND HIP_RDC) 5 | set_property(TARGET pmemd_cuda_${PRECISION}_mpi PROPERTY LINKER_LANGUAGE HIP) 6 | install(TARGETS pmemd_cuda_${PRECISION}_mpi DESTINATION ${LIBDIR} COMPONENT pmemd_CUDA) 7 | - target_link_libraries(pmemd_cuda_${PRECISION}_mpi open-pal) 8 | endif() 9 | 10 | #pass the precision define to the non-CUDA sources 11 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/a/Amber/AmberTools-20_fix_missing_MPI_LIBRARY_error.patch: -------------------------------------------------------------------------------- 1 | diff -ru amber20_src.orig/cmake/LibraryTracking.cmake amber20_src/cmake/LibraryTracking.cmake 2 | --- amber20_src.orig/cmake/LibraryTracking.cmake 2021-04-25 02:51:44.000000000 +0200 3 | +++ amber20_src/cmake/LibraryTracking.cmake 2021-06-16 13:30:26.568317368 +0200 4 | @@ -170,9 +170,9 @@ 5 | 6 | cmake_parse_arguments(IMP_LIBS "" "" "LIBRARIES;INCLUDES" ${ARGN}) 7 | 8 | - if("${IMP_LIBS_LIBRARIES}" STREQUAL "") 9 | - message(FATAL_ERROR "Incorrect usage. At least one LIBRARY should be provided.") 10 | - endif() 11 | + #if("${IMP_LIBS_LIBRARIES}" STREQUAL "") 12 | + # message(FATAL_ERROR "Incorrect usage. At least one LIBRARY should be provided.") 13 | + #endif() 14 | 15 | if(NOT "${IMP_LIBS_UNPARSED_ARGUMENTS}" STREQUAL "") 16 | message(FATAL_ERROR "Incorrect usage. Extra arguments provided.") 17 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/a/Amber/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Amber license information 2 | 3 | Amber is licensed software. All *academic* use of Amber is covered by the 4 | CSC license, also for non-Finnish academic users. See more details in the 5 | [CSC documentation](https://docs.csc.fi/apps/amber/). 6 | 7 | AmberTools is free software distributed under the GNU General Public License with a 8 | few components licensed differently. Amber itself has a separate license though. 9 | 10 | Note that from April 15, 2023 license fees for Amber will change and Amber will 11 | become free for all not-for-profit use. There is currently no clear definition of what 12 | is meant with not-for-profit users (e.g., what for academic projects with an industry 13 | partner who can make money from the IP generated with the help of Amber experiments). 14 | 15 | Some information about all this is available on the 16 | [Amber download page](https://ambermd.org/GetAmber.php). 17 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/a/amd-aocl/README.md: -------------------------------------------------------------------------------- 1 | # amd-aocl instructions 2 | 3 | This is basically just a module loading the 4 | [BLIS](../../b/BLIS/), [libFLAME](../../l/LibFLAME) 5 | and [ScaLAPACK](../../s/ScaLAPACK/) 6 | 7 | libraries from the AMD Optimizing Libraries. 8 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/a/aocl-utils/LICENSE.md: -------------------------------------------------------------------------------- 1 | # AOCL-Utils license 2 | 3 | AOCL-Utils is covered by the BSD 3-Clause License. A copy of the license can be 4 | found in the aocl-utils 5 | [GitHub repository](https://github.com/amd/aocl-utils/blob/main/LICENSE). 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/a/aocl-utils/README.md: -------------------------------------------------------------------------------- 1 | # AOCL-Utils 2 | 3 | - [AOCL-Utils web page](https://www.amd.com/en/developer/aocl/utils.html) 4 | 5 | 6 | ## EasyBuild 7 | 8 | - There is no support in the EasyBuilders repository 9 | - There is no support in the CSCS repository 10 | 11 | 12 | ### Version 4.2 for CPE 23.12 and 24.03 13 | 14 | - Created for LUMI 15 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/a/aria2/LICENSE.md: -------------------------------------------------------------------------------- 1 | # aria2 license 2 | 3 | [Aria2 is covered by the GNU General Public License, either version 2 or any later version at your option](https://aria2.github.io). 4 | 5 | [Version 2 of the License can also be found in the aria2 GitHub repository](https://raw.githubusercontent.com/aria2/aria2/master/COPYING). 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/a/aria2/README.md: -------------------------------------------------------------------------------- 1 | # aria2 instructions 2 | 3 | - [aria2 web page](https://aria2.github.io/) 4 | 5 | 6 | ## EasyBuild 7 | 8 | - [Support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/a/aria2) 9 | 10 | - There is no support in the CSCS repository 11 | 12 | 13 | ### Version 1.35.0 for CPE 21.12 14 | 15 | - Adapted from the EasyBuilders EasyConfig. 16 | 17 | 18 | ### Version 1.36.0 for CPE 22.06 and 22.08 19 | 20 | - Switched back to using dependencies build with EasyBuild just to 21 | be sure but otherwise a trivial upgrade. 22 | 23 | - There is extensive testing during the build process that can take 7 24 | minutes or more. 25 | 26 | - Some extensions to the sanity checks. 27 | 28 | - For 23.09: The tests fail in a way that the testing does not continue, but it 29 | is not clear what the cause is. The program may only be partially functional. 30 | Testing is now disabled so that it builds at least. 31 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/a/arpack-ng/LICENSE.md: -------------------------------------------------------------------------------- 1 | # arpack-ng license information. 2 | 3 | The arpack-ng package is distributed under a BSD-style license 4 | a copy of which can be found in the 5 | [COPYYING file in the arpack-ng GitHub repository](https://github.com/opencollab/arpack-ng/blob/master/COPYING). 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/a/aws-ofi-rccl/LICENSE.md: -------------------------------------------------------------------------------- 1 | # aws-ofi-rcl license 2 | 3 | The AWS RCCL plugin for OFI is covered by the 4 | [Apache License, Version 2.0](https://github.com/ROCmSoftwarePlatform/aws-ofi-rccl/blob/cxi/LICENSE) 5 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/a/aws-ofi-rccl/README.md: -------------------------------------------------------------------------------- 1 | # aws-ofi-rccl instructions 2 | 3 | This is a plug-in for the RCCL library to use libfabric as a network 4 | provider in RCCL based applications. This plugin is essential to get 5 | good bandwidth and scalability in RCCL applications on the SlingShot 11 6 | interconnect of LUMI. It was originally developed for the AWS EC2 7 | network infrastructure, hence its name. 8 | 9 | The plug-in maps RCCLs connection-oriented transport 10 | APIs to libfabric's connection-less reliable interface. This allows RCCL 11 | applications to take benefit of libfabric's transport layer services like 12 | reliable message support and operating system bypass. 13 | 14 | - [GitHub for the plugin](https://github.com/ROCmSoftwarePlatform/aws-ofi-rccl) 15 | 16 | 17 | ## EasyBuild 18 | 19 | The EasyConfigs are a development of the LUST team. As there are no release 20 | versions, we currently refer to commits. 21 | 22 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/b/BCFtools/LICENSE.md: -------------------------------------------------------------------------------- 1 | # BCFtools license 2 | 3 | BCFtools is available under a dual MIT/Expat and 4 | GNU General Public License Version 3 license. 5 | 6 | The [full license text](https://raw.githubusercontent.com/samtools/bcftools/develop/LICENSE) 7 | is available in the BCFtools GitHub. 8 | 9 | Please also note the 10 | ["Citing" section in the README file in that repository](https://github.com/samtools/bcftools#citing): 11 | users are asked to cite a particular paper when usig SAMtools for publications. 12 | 13 | After installation of the package and loading of the module, the LICENSE and README 14 | files are available in `$EBROOTBCFTOOLS/share/licenses/BCFtools` (from version 1.17 15 | on). 16 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/b/BLIS/LICENSE.md: -------------------------------------------------------------------------------- 1 | # BLIS License 2 | 3 | BLIS is copyrighted by several parties. The 4 | [BLIS license text](https://raw.githubusercontent.com/flame/blis/master/LICENSE) 5 | is available in the BLIS GitHub repository. 6 | 7 | From version 4.0 on a copy of the license can also be found in 8 | `$EBROOTBLIS/share/licenses/BLIS` after installing the package and loading the 9 | module. 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/CDO/LICENSE.md: -------------------------------------------------------------------------------- 1 | # CDO License Information 2 | 3 | CDO is open source and released under the 4 | [3-clause BSD License](https://opensource.org/licenses/BSD-3-Clause) 5 | (BSD-3-Clause). 6 | 7 | After installation and loading the module a copy of the license is also available in the 8 | `$EBROOTCDO/share/licenses/CDO` directory. 9 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/CGAL/LICENSE.md: -------------------------------------------------------------------------------- 1 | # License 2 | 3 | Since release 3.0, CGAL is available under an Open Source license as 4 | well as a commercial license. 5 | Users choosing to use CGAL under the free-of-charge Open Source license 6 | have to comply to its terms, otherwise they have to buy a commercial license. 7 | The Open Source license is a combination of the LGPL v3+ and GPL v3+ licenses, 8 | with some components using the former and other components using the latter. 9 | 10 | The [licensing conditions can be found on the CGAL web site](https://www.cgal.org/license.html). 11 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/CGAL/README.md: -------------------------------------------------------------------------------- 1 | # CGAL release 4 2 | 3 | * It is intended as requirement for OpenFOAM 4 | 5 | * [CGAL home page](http://www.cgal.org/) 6 | 7 | 8 | ## OpenFOAM specific notes 9 | 10 | * Following suggestion from https://develop.openfoam.com/Development/openfoam/-/wikis/building 11 | CGAL will normally need to be compiled without mpfr/gmp. 12 | 13 | * For this reason `-DCGAL_DISABLE_MPFR=TRUE -DCGAL_DISABLE_GMP=TRUE` cmake options are in place. 14 | 15 | 16 | ## EasyBuild 17 | 18 | * [CGAL in the easybuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/c/CGAL) 19 | 20 | * [CGAL in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/c/CGAL) 21 | 22 | 23 | ### Version 4.12.2 -OpenFOAM 24 | 25 | * The EasyConfig is mostly a LUST development with a version specifically tuned for 26 | OpenFOAM. 27 | 28 | ### Version 5.6.3 -OpenFOAM 29 | 30 | * Trivial port of the EasyConfig for 4.12.2. -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/CMOR/LICENSE.md: -------------------------------------------------------------------------------- 1 | # CMOR License 2 | 3 | CMOR is licensed under the BSD 3-Clause License. 4 | [The text can be found in the CMOR GitHub](https://raw.githubusercontent.com/PCMDI/cmor/master/LICENSE). 5 | 6 | After installation and loading of the module a copy of the LICENSE file is also available in 7 | `$EBROOTCMOR/share/licenses/CMOR`. 8 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/COSMA/LICENSE.md: -------------------------------------------------------------------------------- 1 | # COSMA license information 2 | 3 | COSMA is released under a BSD 3-Clause "New"or "Revbised" License 4 | a copy of which can be found in the 5 | [LICENSE file in the COSMA GitHub repository](https://github.com/eth-cscs/COSMA/blob/master/LICENSE). 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/COSMA/README.md: -------------------------------------------------------------------------------- 1 | # COSMA technical documentation 2 | 3 | - [COSMA on GitHub](https://github.com/eth-cscs/COSMA) 4 | 5 | - [GitHub releases](https://github.com/eth-cscs/COSMA/releases) 6 | 7 | 8 | ## EasyBuild 9 | 10 | - There is no support for COSMA in the EasyBuilders repository 11 | 12 | - There is no support for COSMA in the CSCS repository 13 | 14 | - [cosma support in Spack](https://spack.readthedocs.io/en/latest/package_list.html#cosma) 15 | 16 | 17 | ### Version 2.6.2 for cpeGNU in 22.08 and 22.12 with GPU support 18 | 19 | - The EasyConfig is a LUST development. 20 | 21 | 22 | ### Version 2.6.6 with GPU support for cpeGNU in 23.09, 23.12 and 24.03 23 | 24 | - Trivial port of the 2.6.2 EasyConfig with GPU support. 25 | 26 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/CP2K/LICENSE.md: -------------------------------------------------------------------------------- 1 | # CP2K License 2 | 3 | The source of CP2K is open and freely available for everybody under 4 | [the GPL license](https://www.gnu.org/licenses/gpl-3.0.html#TOC1). 5 | 6 | (See also the [LICENSE file in the CP2K GitHub](https://github.com/cp2k/cp2k/blob/master/LICENSE).) 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/Catalyst/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Catalyst license 2 | 3 | The Catalyst license can be found in the 4 | [`License.txt` file in the Catalyst GitLab](https://gitlab.kitware.com/paraview/catalyst/-/blob/master/License.txt?ref_type=heads). 5 | 6 | This information is also available in the 7 | `$EBROOTCATALYST/share/licenses/Catalyst` subdirectory after installing and loading 8 | the module. 9 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/Catalyst/README.md: -------------------------------------------------------------------------------- 1 | # Catalyst technical information 2 | 3 | - [Catalyst on the kitware GitLab](https://gitlab.kitware.com/paraview/catalyst/) 4 | 5 | - [GitLab releases](https://gitlab.kitware.com/paraview/catalyst/-/tags) 6 | 7 | 8 | ## EasyBuild 9 | 10 | - There is no support for Catalyst in the EasyBuilders repository. 11 | 12 | - [Support for Catalyst in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/c/Catalyst) 13 | 14 | - [Support for Catalyst in the JSC repository](https://github.com/easybuilders/JSC/tree/2025/Golden_Repo/c/Catalyst) 15 | 16 | - [libcatalyst package in Spack](https://packages.spack.io/package.html?name=libcatalyst) 17 | 18 | 19 | ### Version 2.0.0 for cpeGNU/24.03 20 | 21 | - The EasyConfig is derived from the JSC ones with changes for LUMI. 22 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/Celerity/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Celerity license information 2 | 3 | Celerity is licensed under the MIT license. 4 | See the 5 | [LICENSE file in the GitHub repository](https://github.com/celerity/celerity-runtime/blob/master/LICENSE). -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/Celerity/README.md: -------------------------------------------------------------------------------- 1 | # Package 2 | 3 | - [Celerity (runtime) on GitHub](https://github.com/celerity/celerity-runtime) 4 | 5 | ## EasyBuild 6 | 7 | - There is no support for Celerity in the EasyBuilders repository. 8 | - There is no support for Celerity in the CSCS repository. 9 | 10 | ### Release 0.6.0 for CPE 24.03 11 | 12 | - Rely on: 13 | - cpeAMD EasyBuild toolchain 14 | - AdaptiveCpp 24.10.0 with ROCm 6.0.3 15 | - The recipe relies on ROCm LLVM entirely. 16 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/Charm++/LICENSE.md: -------------------------------------------------------------------------------- 1 | # CHARM|++ License 2 | 3 | Charm++ and associated software are licensed under the 4 | [Charm++/Converse License](http://charm.cs.illinois.edu/distrib/LICENSE). 5 | 6 | Note in particular that the license forbits use of Software or Software 7 | derivative works for internal commercial purposes. -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/Charm++/README.md: -------------------------------------------------------------------------------- 1 | # Charm++ 2 | 3 | * [Charm++ Website](http://charmplusplus.org/) 4 | 5 | ## General information 6 | 7 | Charm++ is a parallel programming framework in C++ supported by an adaptive 8 | runtime system, which enhances user productivity and allows programs to run 9 | portably from small multicore computers (your laptop) to the largest 10 | supercomputers. 11 | 12 | ## EasyBuild 13 | 14 | * [Charm++ in the CSCS repository](https://github.com/easybuilders/CSCS/tree/master/easybuild/easyconfigs/c/Charm%2B%2B) 15 | 16 | ### Version 6.10.2 for CPE GNU 21.08 17 | 18 | * The EasyConfig is derived from the CSCS one 19 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/Charm++/charmpp-800-cmake.patch: -------------------------------------------------------------------------------- 1 | --- charm-8.0.0/CMakeLists.txt 2024-05-30 19:53:44.000000000 +0300 2 | +++ charm-8.0.0-mod/CMakeLists.txt 2025-09-26 16:42:00.000000000 +0300 3 | @@ -1014,7 +1014,7 @@ 4 | file(APPEND ${optfile_sh} "CMK_COMPILER_SUFFIX=${CMK_COMPILER_SUFFIX}\n") 5 | 6 | if(NOT ${NETWORK} STREQUAL "mpi" AND NOT ${NETWORK} MATCHES "gni-" AND NOT ${NETWORK} MATCHES "-cray") 7 | - file(APPEND ${optfile_sh} ". ${CMAKE_BINARY_DIR}/include/cc-${CMK_COMPILER}.sh\n") 8 | + file(APPEND ${optfile_sh} ". ${CMAKE_INSTALL_PREFIX}/include/cc-${CMK_COMPILER}.sh\n") 9 | endif() 10 | 11 | if(${BUILD_SHARED}) 12 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/Conduit/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Conduit license 2 | 3 | Conduit is licensed under the [BSD 3-Clause license](https://opensource.org/licenses/BSD-3-Clause). 4 | The license information can be found in the 5 | [`COPYRIGHT` file](https://github.com/LLNL/conduit/blob/develop/COPYRIGHT) and the 6 | [`LICENSE` file in the Conduit GitHub repository](https://github.com/LLNL/conduit/blob/develop/LICENSE). 7 | 8 | These files also available in 9 | `$EBROOTCONDUIT/share/licenses/Conduit` after installing and loading the module. 10 | 11 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/Conduit/README.md: -------------------------------------------------------------------------------- 1 | # Conduit technical information 2 | 3 | - [Conduit homepage](https://software.llnl.gov/conduit/) 4 | 5 | - [Conduit on GitHub](https://github.com/LLNL/conduit/) 6 | 7 | - [GitHub releases](https://github.com/LLNL/conduit/releases) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - There is no support for Conduit in the EasyBuilders repository 13 | 14 | - [Conduit in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/c/Conduit) 15 | 16 | - [Conduit in the JSC repository](https://github.com/easybuilders/JSC/tree/2025/Golden_Repo/c/Conduit) 17 | 18 | - [conduit package in Spack](https://packages.spack.io/package.html?name=conduit) 19 | 20 | 21 | ### Version 0.9.2 for cpeGNU/24.03 22 | 23 | - The EasyConfig is largely a LUST development. 24 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/CppUnit/LICENSE.md: -------------------------------------------------------------------------------- 1 | # CppUnit loicensing 2 | 3 | CppUnit is licensed under the GNU Lesser General Public License 4 | Version 2.1, a copy of which can be found in the 5 | [COPYING file in the git repository of CppUnit](https://cgit.freedesktop.org/libreoffice/cppunit/tree/COPYING). 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/CppUnit/README.md: -------------------------------------------------------------------------------- 1 | # CppUnit 2 | 3 | - [CppUnit web site](https://freedesktop.org/wiki/Software/cppunit/) 4 | 5 | 6 | ## EasyBuild 7 | 8 | - [CppUnit support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/c/CppUnit) 9 | 10 | - There is no support for CppUnit in the CSCS repository. 11 | 12 | 13 | ### Version 1.15.1 for CPE 21.12 and later 14 | 15 | - This is a direct port of the EasyBuilders version but with enhanced 16 | sanity checks. 17 | 18 | - The one binary has no options to easily test. 19 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/CuPy/LICENSE.md: -------------------------------------------------------------------------------- 1 | # CuPy license 2 | 3 | CuPy is licensed under the MIT License. 4 | Specific information is available in the 5 | [LICENSE file in the CuPy GitHub](https://github.com/cupy/cupy/blob/master/LICENSE). 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/CubeLib/LICENSE.md: -------------------------------------------------------------------------------- 1 | # CubeLib license 2 | 3 | The CubeLib license agreement can be found 4 | [on the Scalasca web site](https://scalasca.org/scalasca/front_content.php?idart=1094). 5 | It is partly a BSD-style license, but there are third party components included with 6 | their own licenses. 7 | 8 | From version 4.9 on, the license information can also be found in 9 | `$EBROOTCUBELIB/share/licenses/CubeLib` after installing and loading the module. 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/CubeWriter/LICENSE.md: -------------------------------------------------------------------------------- 1 | # CubeWriter license 2 | 3 | The CubeLib license agreement can be found 4 | [on the Scalasca web site](https://scalasca.org/scalasca/front_content.php?idart=1094). 5 | It is partly a BSD-style license, but there are third party components included with 6 | their own licenses. 7 | 8 | From version 4.9 on, the license information can also be found in 9 | `$EBROOTCUBEWRITER/share/licenses/CubeWriter` after installing and loading the module. 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/Cython/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Cython license 2 | 3 | Cython, which derives from Pyrex, is licensed under the [Apache 2.0 License](https://www.apache.org/licenses/LICENSE-2.0.html). 4 | See the [COPYING file](https://github.com/cython/cython/blob/3.0.10/COPYING.txt) for a detailed description. 5 | 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/Cython/README.md: -------------------------------------------------------------------------------- 1 | # Cython instructions 2 | 3 | - [Cython documentation](https://cython.org/) 4 | - [Cython on GitHub](https://github.com/cython/cython) 5 | 6 | ## EasyBuild 7 | 8 | - [Cython support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/c/Cython) 9 | 10 | ### Cython 3.0.10 for cpeGNU 24.03 11 | 12 | - EasyConfig file from the EasyBuilders repository adapted to LUMI. 13 | - This recipe allows using Cython 3.0 in contrast to Cython 0.29 in cray-python/3.11.7. 14 | 15 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/c-ares/LICENSE.md: -------------------------------------------------------------------------------- 1 | # c-ares License 2 | 3 | C-ares is coverd by the MIT license. 4 | [The full text is available on the web site](https://c-ares.org/license.html). 5 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/c/c-ares/README.md: -------------------------------------------------------------------------------- 1 | # c-ares 2 | 3 | - [c-ares web page](https://c-ares.org/) 4 | 5 | 6 | ## EasyBuild 7 | 8 | - [Support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/c/c-ares) 9 | 10 | - There is no support in the CSCS repository. 11 | 12 | 13 | ### Version 1.16.1 for CPE 21.12 and later 14 | 15 | - Direct port of the EasyBuilders build recipe. 16 | 17 | 18 | ### Version 1.18.1 for CPE 22.08 and later 19 | 20 | - Trivial version bump 21 | 22 | 23 | ### Version 1.21.0 fro CPE 23.09 and later 24 | 25 | - Trivial version bump, but started using variables for versions for easier updating. 26 | 27 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/d/DFTD4/LICENSE.md: -------------------------------------------------------------------------------- 1 | # DFT-D4 license 2 | 3 | This project is free software: you can redistribute it and/or modify it under 4 | the terms of the Lesser GNU General Public License as published by the Free 5 | Software Foundation, either version 3 of the License, or (at your option) 6 | any later version. 7 | 8 | This project is distributed in the hope that it will be useful, but without 9 | any warranty; without even the implied warranty of merchantability or fitness 10 | for a particular purpose. See the Lesser GNU General Public License for more 11 | details. 12 | 13 | Unless you explicitly state otherwise, any contribution intentionally 14 | submitted for inclusion in this project by you, as defined in the Lesser 15 | GNU General Public license, shall be licensed as above, without any 16 | additional terms or conditions. 17 | 18 | A copy of the license can be found in 19 | [the COPYING.LESSER file in the DFT-D4 GitHub repository](https://github.com/dftd4/dftd4/blob/main/COPYING.LESSER). 20 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/d/DFTD4/README.md: -------------------------------------------------------------------------------- 1 | # DFT-D4 information 2 | 3 | 4 | - [DFT-D4 home page](https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4) 5 | 6 | - [DFT-D4 on GitHub](https://github.com/dftd4/dftd4) 7 | 8 | - [GitHub releases](https://github.com/dftd4/dftd4/releases) 9 | 10 | 11 | ## EasyBuild 12 | 13 | - [Support in the EasyBuilders repository under a different name: DFT-D4 rather than DFTD4](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/d/DFT-D4) 14 | 15 | - There is no support in the CSCS repository 16 | 17 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/d/DL_POLY_4/LICENSE.md: -------------------------------------------------------------------------------- 1 | # DL_POLY license information 2 | 3 | DL_POLY is currently licensed under the 4 | [GNU General Pulbic License version 3](https://www.gnu.org/licenses/gpl-3.0.html), 5 | a copy of which can be found in the 6 | [LICENSE.rst file in the GitLab repository](https://gitlab.com/ccp5/dl-poly/-/blob/devel/LICENCE.rst?ref_type=heads). 7 | 8 | After installation with EasyBuild and loading the module, a copy of the license can 9 | also be found in the subdirectory 10 | `$EBROOTDL_POLY_4/share/licenses/DL_POLY_4`. -------------------------------------------------------------------------------- /easybuild/easyconfigs/d/DeepSpeed/LICENSE.md: -------------------------------------------------------------------------------- 1 | # DeepSpeed license information 2 | 3 | DeepSpeed is licensed under the MIT License, a copy of which can be found in 4 | [the LICENSE file on the DeepSpeed GitHub](https://github.com/microsoft/DeepSpeed/blob/master/LICENSE). 5 | 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/d/DeepSpeed/README.md: -------------------------------------------------------------------------------- 1 | # DeepSpeed instructions 2 | 3 | - [DeepSpeed web site](https://www.deepspeed.ai) 4 | 5 | - [DeepSpeed on PyPi](https://pypi.org/project/deepspeed/) 6 | 7 | - [DeepSpeed on GitHub](https://github.com/microsoft/DeepSpeed) 8 | 9 | - [GitHub releases](https://github.com/microsoft/DeepSpeed/releases) 10 | 11 | 12 | ## EasyBuild 13 | 14 | - There is no DeepSpeed support in the EasyBuilders repository. 15 | 16 | - There is no DeepSpeed support in the CSCS repository. 17 | 18 | 19 | ### Version 0.7.2 for cpeGNU/22.08 20 | 21 | - The EasyConfig is a LUST development. It currently uses an installation from 22 | wheels rather than rebuilding from sources. 23 | 24 | - The `postinstallcmds` modifies one of the files as otherwise RCCL also detects 25 | a network interface it should not use and hangs. 26 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/d/DeepSpeed/USER.md: -------------------------------------------------------------------------------- 1 | # User instructions for DeepSpeed 2 | 3 | Note that DeepSpeed is now integrated with some of the 4 | [PyTorch containers](../../p/PyTorch/), which is a better way 5 | to use DeepSpeed on LUMI. 6 | 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/e/ELPA/elpa-2023.11.01.patch: -------------------------------------------------------------------------------- 1 | --- a/src/GPU/ROCm/rocmFunctions_template.h 2 | +++ b/src/GPU/ROCm/rocmFunctions_template.h 3 | @@ -1562,7 +1562,7 @@ extern "C" { 4 | 5 | void rocblasZscal_elpa_wrapper (BLAS_handle rocblasHandle, int n, double _Complex alpha, double _Complex *X, int incx){ 6 | 7 | -#ifndef HIPBLAS 8 | +#ifdef HIPBLAS 9 | const BLAS_double_complex* X_casted = (const BLAS_double_complex*) X; 10 | #else 11 | BLAS_double_complex* X_casted = ( BLAS_double_complex*) X; 12 | @@ -1577,7 +1577,7 @@ extern "C" { 13 | 14 | void rocblasCscal_elpa_wrapper (BLAS_handle rocblasHandle, int n, float _Complex alpha, float _Complex *X, int incx){ 15 | 16 | -#ifndef HIPBLAS 17 | +#ifdef HIPBLAS 18 | const BLAS_float_complex* X_casted = (const BLAS_float_complex*) X; 19 | #else 20 | BLAS_float_complex* X_casted = ( BLAS_float_complex*) X; 21 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/e/ESMF/README.md: -------------------------------------------------------------------------------- 1 | # ESMF technical information 2 | 3 | See the technical information for the pre-installed versions. 4 | 5 | ## EasyBuild 6 | 7 | ### Version 8.8.0 for cpeGNU 24.03 with MPI and PIO 8 | 9 | - This EasyConfig is a straightforward port of the EasyConfig for 10 | 8.6.0 with these options, also using the updated EasyBlock. 11 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/e/Elk/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Elk license information 2 | 3 | Elk is freely available under the 4 | [GNU General Public License version 3](https://www.gnu.org/licenses/gpl-3.0.txt). 5 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/e/eb-tutorial/LICENSE.md: -------------------------------------------------------------------------------- 1 | # eb-tutorial license 2 | 3 | The EasyConfigs are based on examples in the EasyBuild tutorials. 4 | The EasyBuild tutorial is covered by the 5 | [GNU General Public Licenxe version 2.0](https://www.gnu.org/licenses/old-licenses/gpl-2.0.html) 6 | a copy of which can also be found in the 7 | [LICENSE file in the easybuild-tutorial GitHub](https://github.com/easybuilders/easybuild-tutorial/blob/main/LICENSE). 8 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/e/eb-tutorial/README.md: -------------------------------------------------------------------------------- 1 | # Technical documentation for eb-tutorial 2 | 3 | This is really just an EasyConfig file used in the LUMI tutorials to have something 4 | that is very quick to install. 5 | 6 | - [EasyBuild tutorial site](http://tutorial.easybuild.io/) 7 | 8 | - [Content of the source package that is downloaded](https://github.com/easybuilders/easybuild-tutorial/tree/main/docs/files/eb-tutorial-1.0.1) 9 | 10 | 11 | ## EasyBuild 12 | 13 | ### 1.0.1 for any CPE, 22.08 and later 14 | 15 | - The EasyConfig is derived from the one build up in the 16 | [examples on "Creating easyconfig files" for the LUST course of 2021](http://tutorial.easybuild.io/2021-lust/creating_easyconfig_files/#example) 17 | 18 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/e/eb-tutorial/USER.md: -------------------------------------------------------------------------------- 1 | # eb-tutorial user instructions 2 | 3 | This module has no practical use. It is only used in the exercises of 4 | the 1-day LUMI training developed by the LUMI User Support Team. 5 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/e/ecCodes/LICENSE.md: -------------------------------------------------------------------------------- 1 | # ecCodes license 2 | 3 | The ecCodes software package license information is available on 4 | [the "License" page of the ecCodes web site](https://confluence.ecmwf.int/display/ECC/License). 5 | 6 | After installation and loading the module, a copy of the license is also available in the 7 | `$EBROOTECDODES/share/licenses/eCCodes` directory (from version 2.30.0 onwards). 8 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/f/FUSE/LICENSE.md: -------------------------------------------------------------------------------- 1 | # FUSE license 2 | 3 | See the [LICENSE file in the libfuse GitHub repository](https://github.com/libfuse/libfuse/blob/master/LICENSE): 4 | Some parts are released under the 5 | [GNU Lesser General Public License version 2.1](https://www.gnu.org/licenses/old-licenses/lgpl-2.1.html), 6 | the remaining files under the 7 | [GNU General Public License version 2](https://www.gnu.org/licenses/old-licenses/gpl-2.0.html). 8 | 9 | After installing and loading the module, the license information can also be found 10 | in `$EBRPOOTFUSE/share/licenses/FUSE`. 11 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/f/FUSE/README.md: -------------------------------------------------------------------------------- 1 | # FUSE technical documentation 2 | 3 | - [lib on GitHub](https://github.com/libfuse/libfuse) 4 | 5 | - [GitHub releases](https://github.com/libfuse/libfuse/releases) 6 | 7 | 8 | ## EasyBuild 9 | 10 | - [FUSE in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/f/FUSE) 11 | 12 | - [libfuse in Spack](https://packages.spack.io/package.html?name=libfuse) 13 | 14 | 15 | ### Version 2.9.9 16 | 17 | - This older version was required for building Open MPI. 18 | 19 | - The EasyConfig is a LUST development. 20 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/f/feh/LICENSE.md: -------------------------------------------------------------------------------- 1 | # feh license information 2 | 3 | The license for feh can be found in the 4 | [COPYING file in the GitHub repository](https://github.com/derf/feh/blob/master/COPYING). 5 | 6 | A copy of this file can be found in 7 | `$EBROOTFEH/share/licenses/feh` after installing and loading the module. 8 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/f/feh/README.md: -------------------------------------------------------------------------------- 1 | # Feh README 2 | 3 | - [feh homepage](https://feh.finalrewind.org/) 4 | 5 | feh should be downloaded from its homepage, not from GitHub. 6 | 7 | - [feh development on GitHub](https://github.com/derf/feh) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - [Support for feh in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/f/feh) 13 | 14 | - There is no support for feh in the CSCS repository. 15 | 16 | - [Spack support for feh](https://packages.spack.io/package.html?name=feh) 17 | 18 | 19 | ### Version 2.26 for 24.03 20 | 21 | - The EasyConfig is a direct port of the EasyBuilders one. 22 | 23 | Also copy the COPYING file to our standard location. 24 | 25 | 26 | ### Version 3.10.3 for 24.03 27 | 28 | - Starting from the EasyBuilders EasyConfig, but added support for libmagic 29 | from the file package and libexif. 30 | 31 | Also copy the COPYING file to our standard location. 32 | 33 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/f/fpocket/LICENSE.md: -------------------------------------------------------------------------------- 1 | # fpocket license information 2 | 3 | The fpocket package is distributed under a MIT license, a copy of which can be 4 | found in the [LICENSE file in the fpocket GitHub repository](https://github.com/Discngine/fpocket/blob/master/LICENSE). 5 | 6 | The fpocket package also includes code from QHull whose license can be found in the 7 | [QHULL_COPYING.txt file in the fpocket GitHub repository](https://github.com/Discngine/fpocket/blob/master/QHULL_COPYING.txt). 8 | 9 | After installing the package and loading the module, both license files can also be 10 | found in `$EBROOTFPOCKET/share/licenses/fpocket`. 11 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/f/fpocket/USER.md: -------------------------------------------------------------------------------- 1 | # fpocket user information 2 | 3 | The [fpocket package](https://github.com/Discngine/fpocket/tree/master) 4 | only compiles with a rather high number of warnings, and the makefiles 5 | used for building are rather buggy and not written for LUMI. Use at your own risk. 6 | Fixing bugs is not the task of the LUMI User Support Team, but of the authors of the 7 | package, and as this package is neither parallel, nor supports GPU compute, it is not 8 | exactly the target software for LUMI and LUST cannot invest resources into it. 9 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/g/GDAL/GDAL-3.9.0_cmake-hdf5-target.patch: -------------------------------------------------------------------------------- 1 | --- gdal-3.9.0/frmts/hdf5/CMakeLists.txt 2024-05-07 15:53:28.000000000 +0300 2 | +++ gdal-3.9.0.new/frmts/hdf5/CMakeLists.txt 2024-08-27 22:21:06.846347021 +0300 3 | @@ -92,8 +92,6 @@ 4 | if (WIN32) 5 | target_compile_definitions(gdal_HDF5 PRIVATE -DWIN32) 6 | endif () 7 | -target_include_directories(gdal_HDF5 SYSTEM PRIVATE ${HDF5_INCLUDE_DIRS}) 8 | -gdal_target_link_libraries(gdal_HDF5 PRIVATE ${HDF5_C_LIBRARIES}) 9 | 10 | if (HDF5_BUILD_SHARED_LIBS) 11 | target_compile_definitions(gdal_HDF5 PRIVATE -DH5_BUILT_AS_DYNAMIC_LIB) -------------------------------------------------------------------------------- /easybuild/easyconfigs/g/GDAL/LICENSE.md: -------------------------------------------------------------------------------- 1 | # GDAL license information 2 | 3 | GDAL is mostly licensed under an MIT style license. However, due to the 4 | many dependencies and other included packages, some components have a 5 | different license. The license information can be found in the 6 | [LICENSE.TXT file in the GitHub](https://github.com/OSGeo/gdal/blob/master/LICENSE.TXT). 7 | 8 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/g/GEOS/LICENSE.md: -------------------------------------------------------------------------------- 1 | # GEOS license information 2 | 3 | GEOS is distributed under the 4 | [GNU Lesser General Public License version 2.1](https://www.gnu.org/licenses/old-licenses/lgpl-2.1.html), 5 | a copy of which can be found in the 6 | [COPYING file in the GitHub repository](https://github.com/libgeos/geos/blob/main/COPYING). 7 | 8 | After installing and loading the module, the license information can also be found 9 | in `$EBROOTGEOS/share/licenses/GEOS/COPYING`. 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/g/GOTCHA/LICENSE.md: -------------------------------------------------------------------------------- 1 | # GOTCHA license information 2 | 3 | GOTCHA is licensed under the GNU Lesser General Public License but with a 4 | specific preamble. See the 5 | [`LGPL` file in the GOTCHA GitHub repository](https://github.com/LLNL/GOTCHA/blob/develop/LGPL). 6 | 7 | After installing and loading the module, this information can also be found in 8 | `$EBROOTGOTCHA/share/licenses/GOTCHA`. 9 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/g/GPAW/GPAW-24.6.0-fix-ase-version.patch: -------------------------------------------------------------------------------- 1 | --- a/setup.py 2 | +++ b/setup.py 3 | @@ -395,7 +395,7 @@ setup(name='gpaw', 4 | 'console_scripts': ['gpaw = gpaw.cli.main:main']}, 5 | setup_requires=['numpy<2'], 6 | python_requires=python_requires, 7 | - install_requires=[f'ase>={ase_version_required}', 8 | + install_requires=[f'ase=={ase_version_required}', 9 | 'numpy<2', 10 | 'scipy>=1.6.0'], 11 | extras_require={'docs': ['sphinx-rtd-theme', 12 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/g/GPAW/GPAW-24.6.0-fix-cupy-cublas.patch: -------------------------------------------------------------------------------- 1 | --- a/gpaw/gpu/__init__.py 2 | +++ b/gpaw/gpu/__init__.py 3 | @@ -18,6 +18,7 @@ if TYPE_CHECKING: 4 | else: 5 | try: 6 | import cupy 7 | + import cupy.cublas 8 | import cupyx 9 | from cupy.cuda import runtime 10 | is_hip = runtime.is_hip 11 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/g/GPAW/GPAW-24.6.0-siteconfig-cpu.patch: -------------------------------------------------------------------------------- 1 | --- /dev/null 2 | +++ b/siteconfig-lumi-cpu.py 3 | @@ -0,0 +1,34 @@ 4 | +"""Custom GPAW siteconfig for LUMI-C.""" 5 | + 6 | +parallel_python_interpreter = True 7 | + 8 | +mpi = True 9 | +compiler = 'cc' 10 | +compiler_args = [] # remove all default args 11 | +libraries = [] 12 | +library_dirs = [] 13 | +include_dirs = [] 14 | +extra_compile_args = [ 15 | + '-g', 16 | + '-O3', 17 | + '-fopenmp', 18 | + '-fPIC', 19 | + '-Wall', 20 | + '-Wno-stringop-overflow', # suppress warnings from MPI_STATUSES_IGNORE 21 | + '-Wno-deprecated-declarations', # PySys_SetArgv() etc deprecated in Python 3.11 22 | + '-Werror', 23 | + ] 24 | +extra_link_args = ['-fopenmp'] 25 | + 26 | +# FFTW 27 | +fftw = True 28 | +libraries += ['fftw3'] 29 | + 30 | +# ScaLAPACK 31 | +# Note: required libraries are linked by compiler wrappers 32 | +scalapack = True 33 | + 34 | +# Libxc 35 | +libraries += ['xc'] 36 | + 37 | +define_macros += [('GPAW_ASYNC', 1)] 38 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/g/GPAW/GPAW-25.1.0-fix-ase-version.patch: -------------------------------------------------------------------------------- 1 | diff --git a/setup.py b/setup.py 2 | index 9ea28ce7d..b09894925 100644 3 | --- a/setup.py 4 | +++ b/setup.py 5 | @@ -397,7 +397,7 @@ setup(name='gpaw', 6 | 'console_scripts': ['gpaw = gpaw.cli.main:main']}, 7 | setup_requires=['numpy'], 8 | python_requires=python_requires, 9 | - install_requires=[f'ase>={ase_version_required}', 10 | + install_requires=['ase==3.24.0', 11 | 'numpy', 12 | 'scipy>=1.6.0'], 13 | extras_require={'docs': ['sphinx-rtd-theme', 14 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/g/GPAW/GPAW-25.1.0-test-gauss-func.patch: -------------------------------------------------------------------------------- 1 | diff --git a/gpaw/test/test_gauss_func.py b/gpaw/test/test_gauss_func.py 2 | index 60e1072..478cab3 100644 3 | --- a/gpaw/test/test_gauss_func.py 4 | +++ b/gpaw/test/test_gauss_func.py 5 | @@ -34,7 +34,7 @@ def test_gauss_func(): 6 | for mL in range(9): 7 | m = gauss.get_moment(g, mL) # the mL'th moment of g 8 | print(f' {mL}\'th moment = {m:2.6f}') 9 | - assert m == pytest.approx(gL == mL, abs=1e-4) 10 | + assert m == pytest.approx(float(gL == mL), abs=1e-4) 11 | 12 | # Check the moments of the constructed 1s density 13 | print('\nDensity of Hydrogen atom') 14 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/g/GPAW/GPAW-25.1.0-test-nosave-projections.patch: -------------------------------------------------------------------------------- 1 | diff --git a/gpaw/test/test_nosave_projections.py b/gpaw/test/test_nosave_projections.py 2 | index 9dfd470a3..f60ddbb5d 100644 3 | --- a/gpaw/test/test_nosave_projections.py 4 | +++ b/gpaw/test/test_nosave_projections.py 5 | @@ -45,7 +45,7 @@ def test_nice_error_message(noprojs_gpw): 6 | wfs.P_ani 7 | 8 | 9 | -def test_fixed_density_bandstructure(tmp_path, noprojs_gpw): 10 | +def test_fixed_density_bandstructure(noprojs_gpw): 11 | calc = GPAW(noprojs_gpw, parallel=parallel) 12 | 13 | fixed_calc = calc.fixed_density( 14 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/g/GPAW/LICENSE.md: -------------------------------------------------------------------------------- 1 | # GPAW license 2 | 3 | GPAW itself is licensed under the 4 | [GNU General Public License version 3](https://www.gnu.org/licenses/gpl-3.0.html) 5 | which can also be found in the 6 | [COPYING file in the GPAW GitLab](https://gitlab.com/gpaw/gpaw/-/blob/master/COPYING?ref_type=heads). 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/g/GROMACS/LICENSE.md: -------------------------------------------------------------------------------- 1 | # GROMACS license information 2 | 3 | GROMACS is Free Software, available under the 4 | [GNU Lesser General Public License (LGPL), version 2.1](https://www.gnu.org/licenses/old-licenses/lgpl-2.1.html). 5 | You can redistribute it and/or modify it under the terms of the LGPL as published 6 | by the Free Software Foundation; either version 2.1 of the License, or (at your 7 | option) any later version. 8 | 9 | See the ["About it" page on the GROMACS web site](https://www.gromacs.org/about.html#license). 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/g/GROMACS/gromacs_cmake_manage_sycl.patch: -------------------------------------------------------------------------------- 1 | --- cmake/gmxManageSYCL.cmake.orig 2023-09-11 17:55:43.000000000 +0300 2 | +++ cmake/gmxManageSYCL.cmake 2023-09-11 17:55:57.000000000 +0300 3 | @@ -280,7 +280,7 @@ 4 | if(HIPSYCL_SYCLCC_ROCM_PATH) 5 | # Teach the rocFFT find package how to find the necessary components 6 | # from the ROCm distribution used by hipSYCL. 7 | - set(hip_DIR ${HIPSYCL_SYCLCC_ROCM_PATH}/hip/lib/cmake/hip) 8 | + set(hip_DIR ${HIPSYCL_SYCLCC_ROCM_PATH}/lib/cmake/hip) 9 | set(AMDDeviceLibs_DIR ${HIPSYCL_SYCLCC_ROCM_PATH}/lib/cmake/AMDDeviceLibs) 10 | set(amd_comgr_DIR ${HIPSYCL_SYCLCC_ROCM_PATH}/lib/cmake/amd_comgr) 11 | set(hsa-runtime64_DIR ${HIPSYCL_SYCLCC_ROCM_PATH}/lib/cmake/hsa-runtime64) 12 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/g/git-lfs/LICENSE.md: -------------------------------------------------------------------------------- 1 | # git-lfs license information 2 | 3 | The git-lfs package is licensed under the MIT license. 4 | The license and copyright can be found in the 5 | [LICENSE file in the git-lfs GitHub repository](https://github.com/git-lfs/git-lfs/blob/main/LICENSE.md). 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/h/HDF/LICENSE.md: -------------------------------------------------------------------------------- 1 | # HDF license information 2 | 3 | The HDF libraries are distributed under a BSD-style open source license. 4 | The license information can be found in the source files in a file called 5 | COPYING. 6 | Until the link dies (as the package is no longer supported), a copy is 7 | also [available on the web](https://support.hdfgroup.org/ftp/HDF/HDF_Current/src/unpacked/COPYING). 8 | 9 | After installing and loading the module, the license file can also be found on the system 10 | as `$EBROOTHDF/share/licenses/HDF/COPYING`. 11 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/h/HDF/README.md: -------------------------------------------------------------------------------- 1 | # HDF (HDF4) instructions 2 | 3 | This is a module for those packages that would still use the old HDF4 format. 4 | 5 | Its main use seems to be as a dependency for GDAL. One should not develop new code 6 | using it. 7 | 8 | - [HDF(4) web site](https://support.hdfgroup.org/products/hdf4/) 9 | 10 | 11 | ## EasyBuild 12 | 13 | - [Support for HDF in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/h/HDF) 14 | 15 | - [Support for HDF in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/h/HDF) 16 | 17 | 18 | ### Version 4.2.15 for cpeGNU 22.08 and later 19 | 20 | - The EasyConfig is a mix of the CSCS and EasyBuilder ones. 21 | 22 | 23 | ### Version 4.2.16-2 for cpeGNU 23.09 and later 24 | 25 | - Trivial port of the EasyConfig for 4.2.15 26 | 27 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/h/HTSlib/LICENSE.md: -------------------------------------------------------------------------------- 1 | # HTSlib license information 2 | 3 | Source files of HTSlib are covered by different licesnes. Some source files are 4 | covered by the MIT/Expat license while others are covered by a modifed 3-clause BSD license. 5 | 6 | See the 7 | [LICENSE file in the GitHub repository](https://github.com/samtools/htslib/blob/develop/LICENSE) 8 | for complete information. 9 | 10 | Please also note the 11 | ["Citing" section in the README file in that repository](https://github.com/samtools/htslib#citing): 12 | users are asked to cite a particular paper when usig HTSlib for publications. 13 | 14 | After installation of the package and loading of the module, the LICENSE and README 15 | files are available in `$EBROOTHTSLIB/share/licenses/HTSlib` (from version 1.17 16 | on). 17 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/h/HyperQueue/LICENSE.md: -------------------------------------------------------------------------------- 1 | # HyperQueue License Information 2 | 3 | HyperQueue is licensed under the MIT License. 4 | See the 5 | [LICENSE file in the GitHub repositorty](https://github.com/It4innovations/hyperqueue/blob/main/LICENSE). 6 | 7 | From version 0.17.0 on, the LICENSE file is also available in 8 | `$EBROOTHYPERQUEUE/share/licenses/HyperQueue` 9 | after installation of the package and loading of the module. 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/h/Hypre/Hypre-2.26.0-cpeGNU-23.09.eb: -------------------------------------------------------------------------------- 1 | name = 'Hypre' 2 | version = '2.26.0' 3 | 4 | homepage = 'https://computation.llnl.gov/projects/hypre-scalable-linear-solvers-multigrid-methods' 5 | description = """Hypre is a library for solving large, sparse linear systems of equations on massively 6 | parallel computers. The problems of interest arise in the simulation codes being developed at LLNL 7 | and elsewhere to study physical phenomena in the defense, environmental, energy, and biological sciences.""" 8 | 9 | toolchain = {'name': 'cpeGNU', 'version': '23.09'} 10 | toolchainopts = {'openmp': True, 'pic': True} 11 | 12 | source_urls = ['https://github.com/hypre-space/hypre/archive/'] 13 | sources = ['v%(version)s.tar.gz'] 14 | 15 | start_dir = 'src' 16 | 17 | moduleclass = 'numlib' 18 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/h/Hypre/Hypre-2.31.0-cpeGNU-24.03.eb: -------------------------------------------------------------------------------- 1 | name = 'Hypre' 2 | version = '2.31.0' 3 | 4 | homepage = 'https://computation.llnl.gov/projects/hypre-scalable-linear-solvers-multigrid-methods' 5 | description = """Hypre is a library for solving large, sparse linear systems of equations on massively 6 | parallel computers. The problems of interest arise in the simulation codes being developed at LLNL 7 | and elsewhere to study physical phenomena in the defense, environmental, energy, and biological sciences.""" 8 | 9 | toolchain = {'name': 'cpeGNU', 'version': '24.03'} 10 | toolchainopts = {'openmp': True, 'pic': True} 11 | 12 | source_urls = ['https://github.com/hypre-space/hypre/archive/'] 13 | sources = ['v%(version)s.tar.gz'] 14 | checksums = ['9a7916e2ac6615399de5010eb39c604417bb3ea3109ac90e199c5c63b0cb4334'] 15 | 16 | start_dir = 'src' 17 | 18 | moduleclass = 'numlib' 19 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/h/Hypre/LICENSE.md: -------------------------------------------------------------------------------- 1 | # HYPRE License information 2 | 3 | HYPRE is distributed under the terms of both the MIT license and the Apache License (Version 2.0). Users may choose either license, at their option. 4 | 5 | All new contributions must be made under both the MIT and Apache-2.0 licenses. 6 | 7 | See 8 | [README.md](https://github.com/hypre-space/hypre/blob/master/README.md), 9 | [LICENSE-MIT](https://github.com/hypre-space/hypre/blob/master/LICENSE-MIT), 10 | [LICENSE-APACHE](https://github.com/hypre-space/hypre/blob/master/LICENSE-APACHE), 11 | [COPYRIGHT](https://github.com/hypre-space/hypre/blob/master/COPYRIGHT), and 12 | [NOTICE](https://github.com/hypre-space/hypre/blob/master/NOTICE) 13 | in the GitHub repository for details. 14 | 15 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/h/Hypre/README.md: -------------------------------------------------------------------------------- 1 | # Hypre instructions 2 | 3 | - [HYPRE web site](https://computing.llnl.gov/projects/hypre-scalable-linear-solvers-multigrid-methods) 4 | 5 | - [HYPRE GitHub repo](https://github.com/hypre-space/hypre) 6 | 7 | - [GitHub releases via tags](https://github.com/hypre-space/hypre/tags) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - [HYPRE support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/h/Hypre) 13 | 14 | - There is no HYPRE support in the CSCS repository 15 | 16 | 17 | ### Version 2.26.0 for cpeGNU 22.08 18 | 19 | - The EasyConfig is adapted from those in the EasyBuilders repository. 20 | 21 | 22 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/h/h5py/LICENSE.md: -------------------------------------------------------------------------------- 1 | # h5py license information 2 | 3 | The h5py package is covered by a BSD 3-clause license, a copy 4 | of which can be found in the 5 | [LICENSE file in the GitHub repository](https://github.com/h5py/h5py/blob/master/LICENSE). 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/h/h5py/README.md: -------------------------------------------------------------------------------- 1 | # h5py instructions 2 | 3 | - [h5py web site](http://www.h5py.org/) 4 | 5 | - [h5py Documentation](https://docs.h5py.org/en/stable/) 6 | 7 | - [h5py on GitHub](https://github.com/h5py/h5py) 8 | 9 | - [h5py on PyPi](https://pypi.org/project/h5py/) 10 | 11 | 12 | ## EasyBuild 13 | 14 | * [h5py support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/h/h5py) 15 | 16 | * [h5py support in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/h/h5py) 17 | 18 | ### Version 3.6.0 for CPE GNU 22.08 19 | 20 | * Is taken from the CSCS repository 21 | 22 | ### Version 3.7.0 for CPE 22.08 23 | 24 | * Based on CSCS version with additional information added 25 | 26 | ### Version 3.11.0 for CPE 24.03 27 | 28 | * Based on previous easyconfigs -------------------------------------------------------------------------------- /easybuild/easyconfigs/h/hipfort/LICENSE.md: -------------------------------------------------------------------------------- 1 | hipfort is released under the MITx11 License. A copy of the license can be found 2 | in the [hipfort Github repository](https://github.com/ROCmSoftwarePlatform/hipfort/blob/develop/LICENSE). -------------------------------------------------------------------------------- /easybuild/easyconfigs/h/hipfort/README.md: -------------------------------------------------------------------------------- 1 | # hifort 2 | 3 | - [hipfort web site](https://rocmdocs.amd.com/projects/hipfort/en/latest/) 4 | - [hipfort on GitHub](https://github.com/ROCmSoftwarePlatform/hipfort) 5 | 6 | 7 | ## EasyBuild 8 | 9 | - No support in the EasyBuilders repository at the time of writing. 10 | - No support in the CSCS repository at the time of writing. 11 | 12 | ### Version 0.4.0 for cpeCray 22.08, 22.12 and 23.03 (archived) 13 | 14 | - Custom easyconfig created for LUMI 15 | 16 | ### Version 0.4.0 for cpeCray 23.09, 23.12 and 24.03 17 | 18 | - Port for previous CPE versions with additional patch to support ROCm 6. 19 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/h/hpcat/README.md: -------------------------------------------------------------------------------- 1 | # hpcat EasyBuild instructions 2 | 3 | `hpcat` is a program developed by HPE in their support teams for supercomputer 4 | centres and is currently not open-sourced. It is currently installed from 5 | binaries. 6 | 7 | ## Version 1.0 for cpeCray in LUMI/24.03 8 | 9 | - The EasyConfig is a LUST development. Currently this is just installing 10 | the binaries from a tar file prepared by HPE. 11 | 12 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/h/hpcat/USER.md: -------------------------------------------------------------------------------- 1 | # User information for hpcat 2 | 3 | `hpcat` is a tool developed by HPE to display process and thread distribution 4 | and binding on LUMI and other clusters. 5 | 6 | The tool is currently considered a bit experimental and only offered for use 7 | in the Cray Compilation Environment. Since the default OpenMP thread-to-core binding 8 | depends on the compiler, the tool may not produce the right result to check 9 | binding for a program compiled with a different compiler. It is an alternative 10 | to the tools offered in [lumi-CPEtools](../../l/lumi-CPEtools/index.md) 11 | with the advantage that it can also give information about the binding to 12 | NICs on the LUMI GPU nodes. 13 | 14 | Over time, it will be integrated in a new version of the 15 | [lumi-CPEtools module](../../l/lumi-CPEtools/index.md) and not be maintained 16 | anymore as a separate user-installable program. 17 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/i/Imlib2/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Imlib2 license information 2 | 3 | Imlib2 does not use any of the standard licenses. It includes a COPYING file 4 | basicallyo granting everybody the right to deal with the software without 5 | restrictions as long as the copyright notice is included. 6 | 7 | After installing and loading the module, the files explaining the license 8 | can be found in 9 | `$EBROOTIMLIB2/share/licenses/Imlib2`. 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/i/Imlib2/README.md: -------------------------------------------------------------------------------- 1 | # Imlib2 technical documentation 2 | 3 | - [Imlib2 home page](https://docs.enlightenment.org/api/imlib2/html/) 4 | though this page doesn't seem to be maintained anymore. 5 | 6 | - [Download from SourceForge](https://sourceforge.net/projects/enlightenment/files/imlib2-src/) 7 | 8 | 9 | ## EasyBuild 10 | 11 | - [Support for Imlib2 in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/i/Imlib2) 12 | 13 | - There is no support for Imlib2 in the CSCS repository 14 | 15 | - [Imlib2 support in Spack](https://packages.spack.io/package.html?name=imlib2) 16 | 17 | 18 | ### Version 1.5.1 in 24.03 19 | 20 | - The EasyConfig is a direct port of the EasyBuilders one, 21 | but we also copy the license files. 22 | 23 | 24 | ### Version 1.12.3 in 24.03 25 | 26 | - The EasyConfig is a direct port of the EasyBuilders one, 27 | but we also copy the license files. 28 | 29 | 30 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/i/Info-ZIP/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Info-ZIP license information 2 | 3 | The current Info-ZIP license is baded on the BSD license. 4 | It can be found on the 5 | ["License" page of the Info-ZIP site on SourceForge](https://infozip.sourceforge.net/license.html). 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/j/Java/Java-11.eb: -------------------------------------------------------------------------------- 1 | easyblock = 'ModuleRC' 2 | 3 | name = 'Java' 4 | version = '11' 5 | 6 | homepage = 'https://java.com/' 7 | 8 | whatis = [ 9 | 'Description: Java Platform, Standard Edition (Java SE) lets you develop and deploy Java applications on desktops and servers' 10 | ] 11 | 12 | description = """ 13 | Java Platform, Standard Edition (Java SE) lets you develop and deploy 14 | Java applications on desktops and servers. 15 | """ 16 | 17 | toolchain = SYSTEM 18 | 19 | dependencies = [ 20 | ('Java', '%(version)s.0.21') 21 | ] 22 | 23 | moduleclass = 'lang' 24 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/j/Java/Java-17.eb: -------------------------------------------------------------------------------- 1 | easyblock = 'ModuleRC' 2 | 3 | name = 'Java' 4 | version = '17' 5 | 6 | homepage = 'https://java.com/' 7 | 8 | whatis = [ 9 | 'Description: Java Platform, Standard Edition (Java SE) lets you develop and deploy Java applications on desktops and servers' 10 | ] 11 | 12 | description = """ 13 | Java Platform, Standard Edition (Java SE) lets you develop and deploy 14 | Java applications on desktops and servers. 15 | """ 16 | 17 | toolchain = SYSTEM 18 | 19 | dependencies = [ 20 | ('Java', '%(version)s.0.9') 21 | ] 22 | 23 | moduleclass = 'lang' 24 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/j/Java/Java-21.eb: -------------------------------------------------------------------------------- 1 | easyblock = 'ModuleRC' 2 | 3 | name = 'Java' 4 | version = '21' 5 | 6 | homepage = 'https://java.com/' 7 | 8 | whatis = [ 9 | 'Description: Java Platform, Standard Edition (Java SE) lets you develop and deploy Java applications on desktops and servers' 10 | ] 11 | 12 | description = """ 13 | Java Platform, Standard Edition (Java SE) lets you develop and deploy 14 | Java applications on desktops and servers. 15 | """ 16 | 17 | toolchain = SYSTEM 18 | 19 | dependencies = [ 20 | ('Java', '%(version)s.0.1') 21 | ] 22 | 23 | moduleclass = 'lang' 24 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/j/Java/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Java LICENSE information 2 | 3 | We use the Eclispe Adoptium Temurin releases, which are based on the 4 | OpenJDK releases. 5 | 6 | OpenJDK is licensed under the 7 | [GNU General Public License version 2.0 license](https://www.gnu.org/licenses/old-licenses/gpl-2.0.html) 8 | a copy of which can also be found in the 9 | [LICENSE file in the OpenJDK GitJHub repository](https://github.com/openjdk/jdk/blob/master/LICENSE). 10 | 11 | The Eclipse Adoptium Temurin distributions are very careful about specifying their 12 | license consitions, and the licenses for all packages contained in the distribution. 13 | After installing and loading the `Java` module, the main license notice can be 14 | found in the file 15 | `$EBROOTJAVA/NOTICE` 16 | while more information for specific components is available in the subdirectories 17 | of the 18 | `$EBROOTJAVA/legal` directory. 19 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/j/json-c/LICENSE.md: -------------------------------------------------------------------------------- 1 | # json-c license information 2 | 3 | The json-c license can be found in the 4 | [COPYING file](https://github.com/json-c/json-c/blob/master/COPYING) 5 | in the json-c GitHub repository. 6 | 7 | For the more recent toolchains a copy of this file is also available 8 | after loading the module in 9 | `$EBROOTJSONMINCshare/licenses/json-c`. 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/k/Kokkos-kernels/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Kokkos-kernels license 2 | 3 | Kokkos-kernels is under the [Apache License, Version 2.0](https://www.apache.org/licenses/LICENSE-2.0). 4 | 5 | A copy of the license can also be found in the 6 | ["LICENSE" file in the Kokkos-kernels GitHub repository](https://github.com/kokkos/kokkos-kernels/blob/develop/LICENSE). 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/k/Kokkos-kernels/README.md: -------------------------------------------------------------------------------- 1 | # Kokkos technical information 2 | 3 | - [Kokkos website](https://kokkos.org/) 4 | 5 | - [Kokkos-kernels GitHub repository](https://github.com/kokkos/kokkos-kernels) 6 | 7 | - [Kokkos-kernels GitHub releases](https://github.com/kokkos/kokkos-kernels/releases) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - No EasyBuild support Kokkos-kernels at the time of writing in either the EasyBuilders or the CSCS repository. 13 | 14 | - [kokkos-kernels package in Spack](https://packages.spack.io/package.html?name=kokkos-kernels) 15 | 16 | 17 | ### Version 4.5.1 for cpeGNU and cpeAMD with ROCm 6.0.3 18 | 19 | - The EasyConfig is a LUST development. 20 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/k/Kokkos/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Kokkos license 2 | 3 | Kokkos is under the [Apache License, Version 2.0](https://www.apache.org/licenses/LICENSE-2.0). 4 | 5 | A copy of the license can also be found in the 6 | ["LICENSE" file in the Kokkos GitHub repository](https://github.com/kokkos/kokkos/blob/develop/LICENSE). 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/k/Kokkos/README.md: -------------------------------------------------------------------------------- 1 | # Kokkos technical information 2 | 3 | - [Kokkos website](https://kokkos.org/) 4 | 5 | - [Kokkos core GitHub repository](https://github.com/kokkos/kokkos) 6 | 7 | - [Kokkos GitHub releases](https://github.com/kokkos/kokkos/releases) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - No EasyBuild support Kokkos at the time of writing in either the EasyBuilders or the CSCS repository. 13 | 14 | - [kokkos package in Spack](https://packages.spack.io/package.html?name=kokkos) 15 | 16 | 17 | ### Version 4.5.1 for cpeGNU and cpeAMD with ROCm 6.0.3 18 | 19 | - The EasyConfig is a LUST development. 20 | 21 | - The cpeGNU recipe offers the serial host backend only to avoid OpenMP runtime library mismatch 22 | between the GNU one and ROCm one. 23 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/LAMMPS/LICENSE.md: -------------------------------------------------------------------------------- 1 | # LAMMPS License information 2 | 3 | LAMMPS is licensed under the terms of the 4 | [GNU Public License Version 2](https://github.com/lammps/lammps/blob/develop/LICENSE). 5 | More information can be found on the 6 | ["LAMMPS open-source license" page in the LAMMPS documentation](https://docs.lammps.org/Intro_opensource.html). 7 | A copy of the license can also be found in the 8 | [LICENSE file in the LAMMPS GitHub](https://github.com/lammps/lammps/blob/develop/LICENSE). 9 | 10 | The LAMMPS developers also appreciate being cited when you use LAMMPS. 11 | See the ["Citing LAMMPS in your papers" page on the LAMMPS web site](https://www.lammps.org/cite.html) 12 | for the appropriate citations, depending on which components of LAMMPS you use. 13 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/Libint-CP2K/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Libint license information 2 | 3 | Libint uses a mixed license. 4 | See the 5 | [LICENSE file in the GitHub repository](https://github.com/evaleev/libint/blob/master/LICENSE) 6 | for more details, and the 7 | [COPYING](https://github.com/evaleev/libint/blob/master/COPYING) and 8 | [COPYING.LESSER](https://github.com/evaleev/libint/blob/master/COPYING.LESSER) 9 | files referred to. 10 | 11 | When using Libint, users should also cite it according to the information in the 12 | [CITATION file in the GitHub repository](https://github.com/evaleev/libint/blob/master/CITATION). 13 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/Libint-CP2K/Libint-2.7.2_remove-test-permute.patch: -------------------------------------------------------------------------------- 1 | Disable 2-e 3-c integrals permute correctly (deriv_order=1) unit test 2 | See https://github.com/evaleev/libint/issues/252 3 | author: Ben Czaja (SURF) 4 | diff -W 152 -Nru libint-2.7.2-orig/tests/unit/test-permute.cc libint-2.7.2/tests/unit/test-permute.cc 5 | --- libint-2.7.2-orig/tests/unit/test-permute.cc 2022-06-20 07:51:55.000000000 +0200 6 | +++ libint-2.7.2/tests/unit/test-permute.cc 2022-08-17 11:29:30.415136451 +0200 7 | @@ -539,9 +539,9 @@ 8 | SECTION( "deriv_order=0" ) { 9 | validate3<0>(obs, dfbs, atoms); 10 | } // section 11 | - SECTION( "deriv_order=1" ) { 12 | - validate3<1>(obs, dfbs, atoms); 13 | - } // section 14 | + // SECTION( "deriv_order=1" ) { 15 | + // validate3<1>(obs, dfbs, atoms); 16 | + // } // section 17 | SECTION( "deriv_order=2" ) { 18 | validate3<2>(obs, dfbs, atoms); 19 | } // section -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/Libint-CP2K/README.md: -------------------------------------------------------------------------------- 1 | # Libint (CP2K version) instructions 2 | 3 | * [Libint for CP2K on GitHub](https://github.com/cp2k/libint-cp2k) 4 | 5 | * [GitHub releases](https://github.com/cp2k/libint-cp2k/releases) 6 | 7 | * [Regular Libint GitHub](https://github.com/evaleev/libint) 8 | 9 | 10 | ## EasyBuild 11 | 12 | * [Libint-CP2K in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/l/Libint-CP2K) 13 | 14 | 15 | ### Version 2.6.0 for CP2K 9.1 and later 16 | 17 | * The EasyConfig is a direct port from the CSCS one. 18 | 19 | * Always update to the Boost version for the specific toolchain. 20 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libFLAME/LICENSE.md: -------------------------------------------------------------------------------- 1 | # libFLAME license info 2 | 3 | LibFLAME is licensed under the 3-clause BSD license, a copy of which can be found in 4 | the [LICENSE file in the source repository](https://github.com/flame/libflame/blob/master/LICENSE). 5 | 6 | From version 4.0 on, a copy of the license can be found in 7 | `$EBROOTLIBFLAME/share/licenses/libFLAME` after installation and loading of the 8 | libFLAME module. 9 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libaio/LICENSE.md: -------------------------------------------------------------------------------- 1 | # libaio license 2 | 3 | The libaio library is licensed under the 4 | [GNU Lesser General Public License version 2.1](https://www.gnu.org/licenses/old-licenses/lgpl-2.1.html) 5 | a copy of which can also be found as 6 | [the COPYING file in the libaio repository](https://pagure.io/libaio/blob/master/f/COPYING). 7 | 8 | After installation and loading of the module a copy of the license can also be found 9 | in `$EBROOTLIBAIO/share/licenses/libaio`. 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libaio/README.md: -------------------------------------------------------------------------------- 1 | # libaio instructions 2 | 3 | - [libaio home page](https://pagure.io/libaio) 4 | 5 | - [libaio releases](https://pagure.io/libaio/releases) 6 | 7 | 8 | ## EasyBuild 9 | 10 | - [libaio support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/l/libaio) 11 | 12 | - There is no support for libaio in the CSCS repository. 13 | 14 | - [Spack support for libaio](https://spack.readthedocs.io/en/latest/package_list.html#libaio) 15 | 16 | 17 | ### Version 0.3.113 for 22.12/23.03 18 | 19 | - The EasyConfig is derived from the 2022b one in the EasyBuilders repository. 20 | 21 | - Extensions: include license information, and install the manual pages. 22 | 23 | - The toolchain option for position-independent code is not needed as that is 24 | already hardcoded in the Makefile. 25 | 26 | - A version compiled with the SYSTEM toolchain is also included for just in case. 27 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libbfd/LICENSE.md: -------------------------------------------------------------------------------- 1 | # libbfd license 2 | 3 | As libbfd is licensed under the 4 | [GNU General Public License version 3](https://www.gnu.org/licenses/gpl-3.0.html). 5 | 6 | See also the [COPYING file in the `bfd` subdirectory of the Git repository](https://sourceware.org/git/?p=binutils-gdb.git;a=blob;f=bfd/COPYING;h=94a9ed024d3859793618152ea559a168bbcbb5e2;hb=HEAD). 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libconfig/LICENSE.md: -------------------------------------------------------------------------------- 1 | # libconfig license information 2 | 3 | Libconfig is distributed under the 4 | [GNU Lesser General Public License version 2.1](https://www.gnu.org/licenses/old-licenses/lgpl-2.1.html) 5 | a copy of which is also available as the 6 | [COPYING.LIB file in the libconfig GitHub repository](https://github.com/hyperrealm/libconfig/blob/master/COPYING.LIB). 7 | 8 | After installing and loading the module, the license information can also be found 9 | in `$EBROOTLIBCONFIG/share/licenses/libconfig`. 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libconfig/README.md: -------------------------------------------------------------------------------- 1 | # libconfig technical information 2 | 3 | This library came into the software stack as a dependency of the custom CXI provider. 4 | 5 | - [libconfig in GitHub](https://github.com/hyperrealm/libconfig) 6 | 7 | - [GitHub releases](https://github.com/hyperrealm/libconfig/releases) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - [libconfig in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/l/libconfig) 13 | 14 | - [libconfig in Spack](https://packages.spack.io/package.html?name=libconfig) 15 | 16 | 17 | ### Version 1.7.3 for SYSTEM 18 | 19 | - This EasyConfig was developed to build a custom CXI provider for use with 20 | Open MPI 5 in September 2025. 21 | 22 | - The EasyConfig is derived from the EasyBuilders one. 23 | 24 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libcxi/LICENSE.md: -------------------------------------------------------------------------------- 1 | # libcxi license information 2 | 3 | There is no license statement in the code repositories. However, this package 4 | is meant to be used with the HPE Cray SlingShot 11 host adapters only, 5 | also known as the Cray Cassini NIC. 6 | 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libdap/LICENSE.md: -------------------------------------------------------------------------------- 1 | # libdap license information 2 | 3 | Libdap is licensed under the 4 | GNU Lesser General Public License version 2.1 5 | a copy of which can be found in the 6 | [COPYING file in the source repository](https://github.com/OPENDAP/libdap4/blob/master/COPYING). 7 | 8 | From version 3.20.11 on: After installation and loading of the module, the license information can also be found in the 9 | `$EBROOTLIBDAP/share/licenses/libdap` directory. 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libexif/LICENSE.md: -------------------------------------------------------------------------------- 1 | # libexif license 2 | 3 | Libexif is distributed under the 4 | [GNu Lesser General Public License v2.1](https://www.gnu.org/licenses/old-licenses/lgpl-2.1.html). 5 | A copy of the license can be found in the 6 | [COPYING file in the libexif GitHub](https://github.com/libexif/libexif/blob/master/COPYING). 7 | 8 | After installing and loading the module, this file is also available in the 9 | `$EBROOTLIBEXIF/share/licenses/libexif` directory. 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libexif/README.md: -------------------------------------------------------------------------------- 1 | # libexif technical information 2 | 3 | - [libexif home page](https://libexif.github.io/) 4 | 5 | - [libexif on GitHub](https://github.com/libexif/libexif) 6 | 7 | - [GitHub releases](https://github.com/libexif/libexif/releases) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - [Support for libexif in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/l/libexif) 13 | 14 | - There is no support for libexif in the CSCS repository 15 | 16 | - [Spack package for libexif](https://packages.spack.io/package.html?name=libexif) 17 | 18 | 19 | ### Version 0.6.25 for cpeGNU 24.03 20 | 21 | - EasyConfig derived from the EasyBuilders one, but we also store the license 22 | information in the installation directories. 23 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libfabric/LICENSE.md: -------------------------------------------------------------------------------- 1 | # libfabric license information 2 | 3 | Libfabric is released under a BSD license or the 4 | [GNU General Public License version 2](https://www.gnu.org/licenses/old-licenses/gpl-2.0.html). 5 | More information can be found in the 6 | [COPYING file in the libfabric GitHub repository](https://github.com/ofiwg/libfabric/blob/main/COPYING). 7 | 8 | After installing and loading the module, the license information is also available 9 | in `$EBROOTLIBFABRIC/share/licenses/libfabric`. 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libfabric/README.md: -------------------------------------------------------------------------------- 1 | # libfabric technical information 2 | 3 | - [libfabric on GitHub](https://github.com/ofiwg/libfabric) 4 | 5 | - [GitHub releases](https://github.com/ofiwg/libfabric/releases) 6 | 7 | 8 | ## EasyBuild 9 | 10 | - [libfabric in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/l/libfabric) 11 | 12 | - [libfabric in Spack](https://packages.spack.io/package.html?name=libfabric) 13 | 14 | 15 | ### Version 2.3.0 for SYSTEM 16 | 17 | - This EasyConfig was developed specifically for Open MPI 5 on LUMI. 18 | 19 | - The EasyConfig is a LUST development, developed with help from HPE. 20 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libgeotiff/LICENSE.md: -------------------------------------------------------------------------------- 1 | # libgeotiff license 2 | 3 | The license for libgeotiff can be found in the 4 | [LICENSE file in the GitHub repository](https://github.com/OSGeo/libgeotiff/blob/master/libgeotiff/LICENSE). 5 | 6 | After installation and loading the module, the license can also be found in 7 | `$EBROOTLIBGEOTIFF/share/licenses/libgeotiff/LICENSE`. 8 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libgeotiff/README.md: -------------------------------------------------------------------------------- 1 | # libgeotiff instructions 2 | 3 | - [libgeotiff Wiki](https://directory.fsf.org/wiki/Libgeotiff) 4 | 5 | - [ GeoTIFF web page](https://trac.osgeo.org/geotiff/) 6 | 7 | - [libgeotiff on GitHub](https://github.com/OSGeo/libgeotiff) 8 | 9 | - [GitHub releases](https://github.com/OSGeo/libgeotiff) 10 | 11 | 12 | ## EasyBuild 13 | 14 | - [libgeotiff in the EasyBuilders repository](https://github.com/OSGeo/libgeotiff) 15 | 16 | - [libgeotiff in the CSCS repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/l/libgeotiff) 17 | 18 | 19 | ### Version 1.7.1 for cpeGNU/22.08 and cpeGNU/23.09 20 | 21 | - The EasyConfig is derived from the EasyBuilders one. 22 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libsodium/LICENSE.md: -------------------------------------------------------------------------------- 1 | # libsodium license information 2 | 3 | Libsodium is licensed under the ISC license of the Internet Systems Consortium. See the 4 | [LICENSE file in the GitHub repository](https://github.com/jedisct1/libsodium/blob/master/LICENSE) 5 | for details. 6 | 7 | From LUMI/24.03 on, the license information can also be found in the 8 | `$EBROOT/share/licenses/libsodium` directory after installing and loading the module. 9 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libsodium/README.md: -------------------------------------------------------------------------------- 1 | # libsodium 2 | 3 | * [libsodium web site](https://doc.libsodium.org/) 4 | 5 | * [libsodium on Github](https://github.com/jedisct1/libsodium) 6 | 7 | 8 | ## EasyBuild 9 | 10 | * [libsodium support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/l/libsodium) 11 | 12 | * [libsodium support in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/l/libsodium) 13 | 14 | * [libsodium support in the JSC repository](https://github.com/easybuilders/JSC/tree/2022/Golden_Repo/l/libsodium) 15 | 16 | 17 | ### Version 1.0.18 for CPE 22.08 and CPE 22.12 18 | 19 | - Based on the EasyBuilders easyconfig 20 | 21 | 22 | ### Version 1.0.19 from CPE 23.09 on 23 | 24 | - Trivial version bump. 25 | 26 | - Added license information to the 24.03 one in May 2025. 27 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libspatialindex/LICENSE.md: -------------------------------------------------------------------------------- 1 | # libspatialindex license information 2 | 3 | libspatialindex is licensed under the MIT license. See the 4 | [COPYING file in the GitHub repository](https://github.com/libspatialindex/libspatialindex/blob/main/COPYING) 5 | for details. 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libspatialindex/README.md: -------------------------------------------------------------------------------- 1 | # libspatialindex 2 | 3 | * [libspatialindex web site](https://libspatialindex.org/) 4 | 5 | * [libspatialindex on Github](https://github.com/libspatialindex/libspatialindex) 6 | 7 | 8 | ## EasyBuild 9 | 10 | * [libspatialindex support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/l/libspatialindex) 11 | 12 | * [libspatialindex support in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/l/libspatialindex) 13 | 14 | * [libspatialindex support in the JSC repository](https://github.com/easybuilders/JSC/tree/2024/Golden_Repo/l/libspatialindex) 15 | 16 | 17 | ### Version 1.9.3 for CPE 24.03 18 | 19 | - Based on the EasyBuilders easyconfig 20 | 21 | 22 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libuv/LICENSE.md: -------------------------------------------------------------------------------- 1 | # libuv license information 2 | 3 | Libuv is licensed uner an MIT license, a copy of which can be found in the 4 | [LICENSE file in the libuv GitHub repository](https://github.com/libuv/libuv/blob/v1.x/LICENSE). 5 | 6 | After installing and loading the module, the license information can also be found 7 | in `$EBROOTLIBUV/share/licenses/libuv`. 8 | 9 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libuv/README.md: -------------------------------------------------------------------------------- 1 | # libuv technical information 2 | 3 | - [libuv website](https://libuv.org/) 4 | 5 | - [libuv on GitHub](https://github.com/libuv/libuv) 6 | 7 | - [GitHub releases](https://github.com/libuv/libuv/releases) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - [libuv in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/l/libuv) 13 | 14 | - [libuv in Spack](https://packages.spack.io/package.html?name=libuv) 15 | 16 | 17 | ### Version 1.48.0 for SYSTEM 18 | 19 | - EasyConfig developed as a dependency for our custom CXI provider. 20 | 21 | - EasyConfig derived from the EasyBuilders one. 22 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libvdwxc/LICENSE.md: -------------------------------------------------------------------------------- 1 | # libvdwxc license 2 | 3 | libvdwxc is licensed under the [GNU General Public License v3](https://www.gnu.org/licenses/gpl-3.0.en.html). 4 | See the [COPYING file](https://gitlab.com/libvdwxc/libvdwxc/-/blob/master/COPYING) for a detailed description. 5 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libvdwxc/README.md: -------------------------------------------------------------------------------- 1 | # libvdwxc 2 | 3 | The libvdwxc package entered the software stack as a dependency for GPAW. 4 | 5 | - [libvdwxc documentation](https://libvdwxc.materialsmodeling.org/) 6 | 7 | - [ libvdwxc on Gitlab](https://gitlab.com/libvdwxc/libvdwxc) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - [libvdwxc support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/l/libvdwxc) 13 | 14 | 15 | ### libvdwxc 0.4.0 for cpuGNU 24.03 16 | 17 | - EasyConfig file from the EasyBuilders repository adapted for LUMI 18 | 19 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libvori/LICENSE.md: -------------------------------------------------------------------------------- 1 | # libvori license information 2 | 3 | According to the [libvori web page](https://brehm-research.de/libvori.php), 4 | libvori is distruted under the 5 | [GNU Lesser General Public License version 3](https://www.gnu.org/licenses/lgpl-3.0.en.html). 6 | There is a COPYING file in the source distribution but that file is not 7 | readily available to link to. 8 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libvori/README.md: -------------------------------------------------------------------------------- 1 | # libvori instructions 2 | 3 | * [libvori web site](https://brehm-research.de/libvori.php) 4 | 5 | 6 | ## EasyBuild 7 | 8 | * [libvbori support in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/l/libvori) 9 | 10 | * There is no support yet for libvori in the EasyBuilders repository. 11 | 12 | 13 | ### libvori 210412 for CP2K 9.1 14 | 15 | * The EasyConfig is a direct port of the CSCS one. 16 | 17 | 18 | ### libvori 220621 for CP2K 2022.1 and 2023.1 19 | 20 | * Trivial port of the previous EasyConfig 21 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libxc/LICENSE.md: -------------------------------------------------------------------------------- 1 | # libxc license information 2 | 3 | Libxc is released under the 4 | [Mozilla Public License v2.0](https://www.mozilla.org/en-US/MPL/2.0/). 5 | The license file can be found as the 6 | [COPYING file in the libxc GitLab repository](https://gitlab.com/libxc/libxc/-/raw/devel/COPYING?ref_type=heads). 7 | 8 | From LUMI/23.09 on, the license information is also available in 9 | `$EBROOTLIBXC/share/licences/libxc` (as is relevant citation information) after 10 | installation of the package and loading of the module. 11 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libxsmm/LICENSE.md: -------------------------------------------------------------------------------- 1 | # libxsmm license information 2 | 3 | Libxsmm is licensed under the BSD 3-Clause License, see the 4 | ["BSD 3-Clause License" page in the documentation](https://libxsmm.readthedocs.io/en/latest/LICENSE/) 5 | or the [LICENSE.md file in the GitHub repository](https://github.com/libxsmm/libxsmm/blob/main/LICENSE.md). 6 | 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/libxsmm/README.md: -------------------------------------------------------------------------------- 1 | # libxsmm instructions 2 | 3 | * [libxsmm on ReadTheDocs](https://readthedocs.org/projects/libxsmm/) 4 | 5 | * [libxsmm on GitHub](https://github.com/hfp/libxsmm) 6 | 7 | * [GitHub releases](https://github.com/hfp/libxsmm/releases) 8 | 9 | 10 | ## EasyBuild 11 | 12 | * [libxsmm in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/l/libxsmm) 13 | 14 | * [libxsmm in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/l/libxsmm) 15 | 16 | 17 | ### libxsmm 1.17 for cpeGNU 21.08 and later 18 | 19 | * The EasyConfig is a direct port of the CSCS one. 20 | 21 | ### libxsmm 29Dec22 for CPE 22.08 and later 22 | 23 | * Created for PyFR as it requires a recent version of libxsmm but no release 24 | exists. Use the date of the commit as the version. 25 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/lm-sensors/LICENSE.md: -------------------------------------------------------------------------------- 1 | # lm-sensors license information 2 | 3 | The library (libsensors) is released under the 4 | [GNU Lesser General Public License (LGPL) version 2.1](https://www.gnu.org/licenses/old-licenses/lgpl-2.1.html), 5 | as included in the file [COPYING.LGPL in the lm-sensors GitHub repository](https://github.com/lm-sensors/lm-sensors/blob/master/COPYING.LGPL). 6 | The rest of this package may be distributed according to the 7 | [GNU General Public License (GPL) version 2](https://www.gnu.org/licenses/old-licenses/gpl-2.0.html), 8 | as included in the file [COPYING in the lm-sensors GitHub repository](https://github.com/lm-sensors/lm-sensors/blob/master/COPYING). 9 | 10 | After installing and loading the module, the license information can also be found 11 | in `$EBROOTLMMINSENSORS/share/licenses/lm-sensors`. 12 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/lm-sensors/README.md: -------------------------------------------------------------------------------- 1 | # lm-sensors technical information 2 | 3 | - [lm-sensors GitHub]() 4 | 5 | - [GitHub releases]() 6 | 7 | 8 | ## EasyBuild 9 | 10 | - There is no support for lm-sensors in the EasyBuilders repository at the time of 11 | writing. 12 | 13 | - [lm-sensors in Spack](https://packages.spack.io/package.html?name=lm-sensors) 14 | 15 | 16 | ### Version 3.6.0 for SYSTEM 17 | 18 | - This EasyConfig was developed as a dependency for a custom CXI provider for use 19 | with Open MPI 5. 20 | 21 | - The EasyConfig is a LUST development. 22 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/lumi-CPEtools/README.md: -------------------------------------------------------------------------------- 1 | # Technical information contributed versions of lumi-CPEtools 2 | 3 | ## EasyBuild 4 | 5 | ### Version 1.1 for Open MPI 6 | 7 | - The EasyConfigs are similar to those for the Cray MPICH versions, but 8 | 9 | - Compilers need to be set manually in `buildopts` to use the Open MPI 10 | compiler wrappers. 11 | 12 | - Before building some modules need to be unloaded again (which ones 13 | depends on the specific `OpenMPI` module). 14 | 15 | 16 | 17 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/lumi-allocations/LICENSE.md: -------------------------------------------------------------------------------- 1 | # lumi-allocations license 2 | 3 | The lumi-allocation package is licensed under the 4 | [European Union Public License 1.2 ](https://joinup.ec.europa.eu/collection/eupl/eupl-text-eupl-12) 5 | a copy of which can be found in the 6 | [LICENSE file in the lumi-allocations GitHub repository](https://github.com/Lumi-supercomputer/lumi-allocations/blob/main/LICENSE). 7 | 8 | After installation and loading of the module the license file LICENSE can also be 9 | found in the directory $EBROOTLUMIMINALLOCATIONS. 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/lumi-allocations/README.md: -------------------------------------------------------------------------------- 1 | # lumi-allocations instructions 2 | 3 | The lumi-allocations command is an in-house development of LUST. 4 | 5 | - [lumi-allocations GitHub repository](https://github.com/Lumi-supercomputer/lumi-allocations) 6 | 7 | 8 | ## Easy/build 9 | 10 | ### Version 20230103 11 | 12 | - This is simply a first try based on a beta commit and also used 13 | to start the development of the lumi-tools module that will 14 | ultimately replace lumi-allocations. 15 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/lumi-training-tools/LICENSE.md: -------------------------------------------------------------------------------- 1 | # License information for the lumi-training-tools module 2 | 3 | The `mkfile` tool is licensed under the 4 | [2-clause BSD license](https://opensource.org/license/bsd-2-clause/). 5 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/lumi-training-tools/README.md: -------------------------------------------------------------------------------- 1 | # lumi-trainig-tools technical documentation 2 | 3 | - mkfile tool: 4 | 5 | - It was originally a tool included with Solaris and can still be found in some 6 | BSD distributions. 7 | 8 | - A simple version with one option less is available on the 9 | [GitHub repository vogelchr/mkfile](https://github.com/vogelchr/mkfile). 10 | Its command line options are different though so we avoid using it for now. 11 | 12 | ## EasyConfigs 13 | 14 | ### Version 20240502 - Amsterdam 2-day LUST training in May 2024 15 | 16 | - Only includes the mkfile tool, but already uses a bundle for future 17 | extensions. 18 | 19 | - The Makefile that comes with `mkfile` is for the BSD make so we compiled 20 | with explicit commands using `CmdCp` and also modified the manual page a 21 | bit to fit better with our setup. 22 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/lumi-training-tools/USER.md: -------------------------------------------------------------------------------- 1 | # lumi-training-tools user documentation 2 | 3 | The lumi-training-tools is a module-under-development that provides tools used 4 | during the trainings, mostly for exercises, but that don't make sense to include 5 | in modules that are useful outside trainings also such as 6 | [lumi-CPEtools](../lumi-CPEtools). 7 | 8 | Content of the newest versions: 9 | 10 | - `mkfile`: A simple tool to generate a file of given size. 11 | 12 | 13 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/l/lumi-training-tools/mkfile_Manual_page.patch: -------------------------------------------------------------------------------- 1 | # Patch: Re-edit the manual page to make it suitable for lumi-training-tools 2 | # Created by Kurt Lust 3 | # Command: diff -Nru mkfile.8.orig mkfile.8 >mkfile_Manual_page.patch 4 | --- mkfile.8.orig 2024-01-16 18:08:39.000000000 +0200 5 | +++ mkfile.8 2024-01-16 18:09:46.000000000 +0200 6 | @@ -25,7 +25,7 @@ 7 | .\" $Id: mkfile.8,v 1.1 2013-06-22 08:49:54+09 hatanou Exp $ 8 | .\" 9 | .Dd January 21, 2004 10 | -.Dt MKFILE 8 11 | +.Dt MKFILE 1 12 | .Os 13 | .Sh NAME 14 | .Nm mkfile 15 | @@ -55,10 +55,6 @@ 16 | Verbose. 17 | Report the names and sizes of created files. 18 | .El 19 | -.Sh SEE ALSO 20 | -.Xr swapon 2 , 21 | -.Xr swapon 8 , 22 | -.Xr mdconfig 8 23 | .Sh HISTORY 24 | A 25 | .Nm 26 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/m/MATIO/LICENSE.md: -------------------------------------------------------------------------------- 1 | # MATIO License Information 2 | 3 | MATIO is distributed under a BSD 2-Clause "Simplified" License. 4 | The exact text including copyrights can be found in 5 | [the COPYING file in the MATIO GitHub repository](https://github.com/tbeu/matio/blob/master/COPYING). 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/m/MATIO/README.md: -------------------------------------------------------------------------------- 1 | # MATIO instruction 2 | 3 | MATIO is used by Trilinos. 4 | 5 | - [MATIO - MAT File I/O Libary on SourceForge](https://matio.sourceforge.io/) 6 | 7 | - [MATIO on GitHub](https://github.com/tbeu/matio) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - [MATIO support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/m/MATIO) 13 | 14 | - There is no support for MATIO in the CSCS repository 15 | 16 | 17 | ### Version 1.5.23 for cpeGNU 22.08 and 22.12 (archived) 18 | 19 | - The EasyConfig is adapted from the EasyBuilder ones. 20 | 21 | ### Version 1.5.27 for cpeGNU 24.03 22 | 23 | - The EasyConfig is adapted from the previous one but with a 24 | switch to use CMake as the build system. Enabled shared library and 25 | HDF5. HDF5 parallel is used as MATIO is a Trilinos dependency and we 26 | use the parallel version to build Trilinos. -------------------------------------------------------------------------------- /easybuild/easyconfigs/m/MUMPS/LICENSE.md: -------------------------------------------------------------------------------- 1 | # MUMPS License Information 2 | 3 | The license information for MUMPS can be found on the 4 | [download page on the MUMPS web site](https://mumps-solver.org/index.php?page=dwnld), 5 | in the ["Conditions of Use" section](https://mumps-solver.org/index.php?page=dwnld#license). 6 | 7 | The main part of MUMS is covered by the [CeCILL-C License](https://cecill.info/licences/Licence_CeCILL-C_V1-en.html) 8 | but some parts (relying on code from other projects) are covered by the 9 | [BSD 3-Clause License](https://opensource.org/licenses/BSD-3-Clause). 10 | 11 | Note that the conditions of use also ask to cite two particular papers about MUMPS 12 | and to try to notify the authors of the publication. 13 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/m/MUMPS/README.md: -------------------------------------------------------------------------------- 1 | # MUMPS instructions 2 | 3 | - [MUMPS web site](https://graal.ens-lyon.fr/MUMPS/) 4 | 5 | 6 | 7 | 8 | ## EasyBuild 9 | 10 | - [Support for MUMPS in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/m/MUMPS) 11 | 12 | - There is no support for MUMPS in the CSCS repository. 13 | 14 | 15 | ### Version 5.5.1. for cpeGNU 22.08 and 22.12 16 | 17 | - The EasyConfig is derived from the EasyBuilders one with an additional patch 18 | for the Cray PE. 19 | 20 | ### Version 5.6.1. for cpeGNU 24.03 21 | 22 | - The EasyConfig is derived from the EasyBuilders one -------------------------------------------------------------------------------- /easybuild/easyconfigs/m/Mako/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Mako license information 2 | 3 | Mako is covered by the [MIT License](https://opensource.org/licenses/mit-license.php). 4 | 5 | The precise license information with the proper copyrights for Mako can be found in 6 | the [LICENSE file](https://github.com/sqlalchemy/mako/blob/main/LICENSE) and 7 | [AUTHORS file](https://github.com/sqlalchemy/mako/blob/main/AUTHORS), bvoth in the 8 | [Mako GitHub reppository](https://github.com/sqlalchemy/mako). 9 | 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/m/MicroHH/LICENSE.md: -------------------------------------------------------------------------------- 1 | # MicroHH license information 2 | 3 | MicroHH is released under the [GNU General Public License (v3)](https://www.gnu.org/licenses/gpl-3.0.en.html). 4 | 5 | Users are asked to cite the following publication: 6 | ``` 7 | van Heerwaarden, C. C., van Stratum, B. J. H., Heus, T., Gibbs, J. A., Fedorovich, E., and Mellado, J. P.: MicroHH 1.0: a computational fluid dynamics code for direct numerical simulation and large-eddy simulation of atmospheric boundary layer flows, Geosci. Model Dev., 10, 3145–3165, https://doi.org/10.5194/gmd-10-3145-2017, 2017. 8 | ``` -------------------------------------------------------------------------------- /easybuild/easyconfigs/m/magma/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Magma License 2 | 3 | Magma is The 3-Clause BSD License. The full text is available 4 | [in the MAGMA bitbucket repository](https://bitbucket.org/icl/magma/src/master/COPYRIGHT). -------------------------------------------------------------------------------- /easybuild/easyconfigs/m/magma/magma-2.7.2_crayftn-uppercase-module.patch: -------------------------------------------------------------------------------- 1 | --- magma-2.7.2.old/CMakeLists.txt 2024-01-26 13:51:04.000000000 +0100 2 | +++ magma-2.7.2/CMakeLists.txt 2024-01-26 13:53:19.000000000 +0100 3 | @@ -624,7 +624,8 @@ 4 | if (filename MATCHES "\\.(f90|F90)$") 5 | # mod files seem to wind up in root build directory 6 | get_filename_component( fmod ${filename} NAME_WE ) 7 | - list( APPEND modules "${CMAKE_BINARY_DIR}/${fmod}.mod" ) 8 | + string(TOUPPER ${fmod} fmod_upper) 9 | + list( APPEND modules "${CMAKE_BINARY_DIR}/${fmod_upper}.mod" ) 10 | endif() 11 | endforeach() 12 | endif() 13 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/m/magma/magma-2.8.0_crayftn-uppercase-module.patch: -------------------------------------------------------------------------------- 1 | --- magma-2.8.0.old/CMakeLists.txt 2024-09-09 20:21:33.000000000 +0300 2 | +++ magma-2.8.0.new/CMakeLists.txt 2024-09-09 20:22:46.000000000 +0300 3 | @@ -628,7 +628,8 @@ 4 | if (filename MATCHES "\\.(f90|F90)$") 5 | # mod files seem to wind up in root build directory 6 | get_filename_component( fmod ${filename} NAME_WE ) 7 | - list( APPEND modules "${CMAKE_BINARY_DIR}/${fmod}.mod" ) 8 | + string(TOUPPER ${fmod} fmod_upper) 9 | + list( APPEND modules "${CMAKE_BINARY_DIR}/${fmod_upper}.mod" ) 10 | endif() 11 | endforeach() 12 | endif() 13 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/m/makedepf90/LICENSE.md: -------------------------------------------------------------------------------- 1 | # makedepf90 license 2 | 3 | The makedepf90 tool was developed long ago by Erik Edelmann from CSC but is no 4 | longer maintained, and the original repository is no longer available. Yet it is 5 | still included in several Linux distributions as an optional packages. 6 | 7 | There is an unofficvial GitHub repository that still provides information about the 8 | license. The tool is distirbuted under the 9 | [GNU General Public License version 2.0](https://www.gnu.org/licenses/old-licenses/gpl-2.0.html) 10 | and a copy of it is available in the 11 | [copying file in the source repository](https://github.com/outpaddling/makedepf90/blob/master/copying). 12 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/m/mpiFileUtils/LICENSE.md: -------------------------------------------------------------------------------- 1 | # mpiFileUtils license information 2 | 3 | The mpiFileUtils is distributed under the BSD 3-Clause license. The license is 4 | available at the 5 | [Github repository](https://github.com/hpc/mpifileutils/blob/main/LICENSE). -------------------------------------------------------------------------------- /easybuild/easyconfigs/m/mpiFileUtils/README.md: -------------------------------------------------------------------------------- 1 | # mpiFileUtils 2 | 3 | - [mpiFileUtils web site](https://hpc.github.io/mpifileutils/) 4 | 5 | - [mpiFileUtils documentation](https://mpifileutils.readthedocs.io/en/latest/) 6 | 7 | - [mpiFileUtils Github](https://github.com/hpc/mpifileutils) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - [mpiFileUtils support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/m/mpifileutils) 13 | 14 | 15 | ### Version 0.11.1 16 | 17 | - Custom easyconfig for LUMI 18 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/n/NCO/LICENSE.md: -------------------------------------------------------------------------------- 1 | # NCO License Conditions 2 | 3 | NCO is distributed under a 4 | [BSD 3-Clause License](https://opensource.org/licenses/BSD-3-Clause), 5 | a copy of which can also be found in the 6 | [COPYING file in the source repository](https://github.com/nco/nco/blob/master/COPYING). 7 | Further copyright information can be found in the 8 | [COPYRIGHT file in that same repository](https://github.com/nco/nco/blob/master/COPYRIGHT). 9 | 10 | Suggested citations for users of NCO can be found in the 11 | [CITATION file in the source repository](https://github.com/nco/nco/blob/master/CITATION). 12 | 13 | From version 5.1.5 on, these files can also be found after installation and loading of the module 14 | in the directory `$EBROOTNCO/share/licenses/NCO`. 15 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/n/Neko/README.md: -------------------------------------------------------------------------------- 1 | # Neko 2 | 3 | * [Neko Website](https://neko.cfd) 4 | 5 | ## General information 6 | 7 | Neko is a portable framework for high-order spectral element flow simulations. 8 | Written in modern Fortran, Neko adopts an object-oriented approach, allowing 9 | multi-tier abstractions of the solver stack and facilitating various hardware 10 | backends ranging from general-purpose processors, CUDA and HIP enabled accelerators. 11 | 12 | ### Version 0.8.1 for CPE GNU and CPE Cray 24.03 13 | 14 | * Recipe for the GNU toolchain is only tested for single node runs; there is an issue 15 | with device buffers on multiple nodes for this version 16 | 17 | * Recipes are tested agains ROCm release 6.0.3 18 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/n/ncview/LICENSE.md: -------------------------------------------------------------------------------- 1 | # ncview license information 2 | 3 | Ncview is currently licensed under the 4 | [GNU General Pulbic License version 3](https://www.gnu.org/licenses/gpl-3.0.html). 5 | 6 | 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/n/nlohmann-json/LICENSE.md: -------------------------------------------------------------------------------- 1 | # nlohmann-json license information 2 | 3 | The nlohmann-json class is licensed under the 4 | [MIT License](https://json.nlohmann.me/home/license/). 5 | The license can also be found on the 6 | ["License" page of the project web site](https://json.nlohmann.me/home/license/) 7 | which also contains additional information about liciensing of components 8 | used from elsewhere. 9 | 10 | See also the 11 | ["License" section of the README in the GitHub repository](https://github.com/nlohmann/json#license), 12 | [LICENSE.MIT file in that repository](https://github.com/nlohmann/json/blob/develop/LICENSE.MIT) and 13 | the [LICENSES subdirectory](https://github.com/nlohmann/json/tree/develop/LICENSES) 14 | for other licenses. 15 | 16 | After installing and loading the module, this information can also be found in 17 | `$EBROOTNLOHMANNMINJSON/share/licenses/nlohmann-json`. 18 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/n/nlohmann-json/README.md: -------------------------------------------------------------------------------- 1 | # nlohmann-json 2 | 3 | * [nlohmann-json web site](https://json.nlohmann.me/) 4 | 5 | * [nlohmann-json on Github](https://github.com/nlohmann/json) 6 | 7 | 8 | ## EasyBuild 9 | 10 | * No nlohmann-json support in the EasyBuilders repository 11 | 12 | * No nlohmann-json support in the CSCS repository 13 | 14 | * [nlohmann-json support in the JSC repository](https://github.com/easybuilders/JSC/tree/2022/Golden_Repo/n/nlohmann-json) 15 | 16 | 17 | ### Version 3.10.4 for CPE 22.08 18 | 19 | - Based on the JSC easyconfig 20 | 21 | 22 | ### Version 3.11.2 for CPE 22.12 and 23.09 23 | 24 | - Based on the JSC easyconfig 25 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/n/nvtop/LICENSE.md: -------------------------------------------------------------------------------- 1 | # nvtop license information 2 | 3 | nvtop is licensed under the 4 | [GPL version 3 license](https://github.com/Syllo/nvtop/blob/master/COPYING). 5 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/n/nvtop/README.md: -------------------------------------------------------------------------------- 1 | # nvtop 2 | 3 | * [nvtop on Github](https://github.com/Syllo/nvtop) 4 | 5 | 6 | ## EasyBuild 7 | 8 | * [nvtop support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/n/nvtop) 9 | 10 | * [nvtop support in the CSCS repository](https://github.com/easybuilders/CSCS/tree/master/easybuild/easyconfigs/n/nvtop) 11 | 12 | ### Version 3.0.2 13 | 14 | - Easyconfig created for LUMI -------------------------------------------------------------------------------- /easybuild/easyconfigs/o/OPARI2/LICENSE.md: -------------------------------------------------------------------------------- 1 | # OPARI2 license 2 | 3 | OPARI2 is available under the [3-clause BSD Open Source license](https://opensource.org/license/bsd-3-clause). 4 | 5 | From version 2.0.9 on, the license information can also be found in 6 | `$EBROOTOPARI2/share/licenses/OPARI2` after installing and loading the module. 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/o/OSU-Micro-Benchmarks/LICENSE.md: -------------------------------------------------------------------------------- 1 | # OSU Micro-Benchmarks license 2 | 3 | The OSU micro-benchmarks are made available under a 4 | [BSD license](https://mvapich.cse.ohio-state.edu/static/media/mvapich/LICENSE-OMB.txt). 5 | 6 | After loading the module, a copy of this license is also available in the 7 | COPYRIGHT file in 8 | `$EBROOTOSUMINMICROMINBENCHMARKS/share/licenses/OSU-Micro-Benchmarks`. 9 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/o/OSU-Micro-Benchmarks/USER.md: -------------------------------------------------------------------------------- 1 | # OSU benchmarks user info 2 | 3 | These benchmarks are mostly provided for users who want to experiment with 4 | Open MPI, to test those Open MPI builds and to compare performance with 5 | Cray MPICH. 6 | 7 | Currently only the C MPI benchmarks are provided. 8 | 9 | Each module also contains a number of example scripts to run the benchmarks. 10 | After loading the module, those example scripts can be found in the subdirectory 11 | `$OSU_EXAMPLES`. Note that in some cases additional software needs to be 12 | installed to run those scripts. Please check the module help of the respective 13 | `OSU-Micro-Benchmarks` module as that information is different for all modules. 14 | When all software is installed, you should be able to launch the example scripts 15 | just using `sbatch -A project_46YXXXXXX $OSU_EXAMPLES/` (at least 16 | on the CPU partition of LUMI), but of course you may want to copy and modify them. 17 | 18 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/o/OTF2/LICENSE.md: -------------------------------------------------------------------------------- 1 | # OTF2 license 2 | 3 | OTF2 is available under the [3-clause BSD Open Source license](https://opensource.org/license/bsd-3-clause). 4 | 5 | From version 3.1.1 on, this information is also available in 6 | `$EBROOTOTF2/share/licenses/OTF2` after installing and loading the module. 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/o/OpenBLAS/LICENSE.md: -------------------------------------------------------------------------------- 1 | # OpenBLAS License Information 2 | 3 | OpenBLAS is distributed under a 4 | [BSD 3-Clause License](https://opensource.org/licenses/BSD-3-Clause), 5 | a copy of which can be found in the 6 | [LICENSE file in the source repository](https://github.com/xianyi/OpenBLAS/blob/develop/LICENSE). 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/o/OpenBLAS/OpenBLAS-0.3.15_workaround-gcc-miscompilation.patch: -------------------------------------------------------------------------------- 1 | Workaround optimizer bug in GCC on POWER9. 2 | See https://gcc.gnu.org/bugzilla/show_bug.cgi?id=100799 3 | 4 | Author: Alexander Grund (TU Dresden) 5 | 6 | diff --git a/Makefile.power b/Makefile.power 7 | index 946f5523..96b14dca 100644 8 | --- a/Makefile.power 9 | +++ b/Makefile.power 10 | @@ -35,6 +35,7 @@ endif 11 | ifneq ($(F_COMPILER), PGI) 12 | FCOMMON_OPT += -O2 -frecursive -fno-fast-math 13 | ifeq ($(C_COMPILER), GCC) 14 | +FCOMMON_OPT += -fstack-protector-strong 15 | ifneq ($(GCCVERSIONGT4), 1) 16 | $(warning your compiler is too old to fully support POWER9, getting a newer version of gcc is recommended) 17 | FCOMMON_OPT += -mcpu=power8 -mtune=power8 18 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/o/OpenFOAM/LICENSE.md: -------------------------------------------------------------------------------- 1 | # OpenFOAM License Information 2 | 3 | The OpenFOAM.com versions are licensed under the 4 | [GNU General Public License version 3.0](https://www.gnu.org/licenses/gpl-3.0.html). 5 | See also the 6 | ["Open Source Licensing" page on the OpenFOAM.com web site](https://www.openfoam.com/licensing). 7 | 8 | The OpenFOAM.org versions are also licensed under the 9 | [GNU General Public License version 3.0](https://www.gnu.org/licenses/gpl-3.0.html). 10 | See also the 11 | ["Free Software Licence" page on the OpenFOAM.org web site](https://openfoam.org/licence/). 12 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/o/OpenMPI/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Open MPI License Information 2 | 3 | Open MPI is distributed under a 3-clause BSD license that can be found on the 4 | ["Open MPI License" page on the Open MPI web site](https://www.open-mpi.org/community/license.php). 5 | 6 | From version 4.1.6 on, the license can also be found as the file LICENSE in 7 | `$EBROOTOPENMPI/share/licenses/OpenMPI` after loading the OpenMPI module. 8 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/o/OpenPGM/LICENSE.md: -------------------------------------------------------------------------------- 1 | # OpenPGM License Information 2 | 3 | [OpenPGM](https://code.google.com/archive/p/openpgm/) 4 | is distributed under the 5 | [GNU Lesser General Public License](https://www.gnu.org/licenses/lgpl-3.0.html). 6 | 7 | The license information can also be found in the `COPYING` file in the 8 | `$EBROOTOPENPGM/share/licenses/OpenPGM` directory after installing and loading the 9 | module. 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/o/OpenPGM/README.md: -------------------------------------------------------------------------------- 1 | # OpenPGM 2 | 3 | * [OpenPGM on Google code](https://code.google.com/p/openpgm/) 4 | 5 | 6 | ## EasyBuild 7 | 8 | * [OpenPGM support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/o/OpenPGM) 9 | 10 | * [OpenPGM support in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/o/OpenPGM) 11 | 12 | * [OpenPGM support in the JSC repository](https://github.com/easybuilders/JSC/tree/2022/Golden_Repo/o/OpenPGM) 13 | 14 | 15 | ### Version 5.2.122 for CPE 22.08 and later 16 | 17 | - Based on the EasyBuilders easyconfig 18 | 19 | - Added license information to the 24.03 version in May 2025. 20 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/o/OptiX/LICENSE.md: -------------------------------------------------------------------------------- 1 | # OptiX license 2 | 3 | OptiX is released under the 4 | [NVIDIA Software Developer Kits, Samples and Tools License Agreement](https://developer.download.nvidia.com/designworks/DesignWorks_SDKs_Samples_Tools_License_distrib_use_rights_2017_06_13.pdf). 5 | 6 | After installing and loading the module, the license can also be found in 7 | `$EBROOTOPTIX/doc` or 8 | `$EBROOTOPTIX/share/licenses/OptiX`. 9 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/o/OptiX/README.md: -------------------------------------------------------------------------------- 1 | # OptiX technical information 2 | 3 | - [Home page](https://developer.nvidia.com/optix) 4 | 5 | - [Download the latest version](https://developer.nvidia.com/designworks/optix/download) 6 | and [download legacy versions](https://developer.nvidia.com/designworks/optix/downloads/legacy). 7 | 8 | 9 | ## EasyBuild 10 | 11 | - [OptiX support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/o/OptiX) 12 | 13 | - [OptiX support in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/o/OptiX) 14 | 15 | - [OptiX support in the JSC repository](https://github.com/easybuilders/JSC/blob/2025/Golden_Repo/o/OptiX/OptiX-8.1.0.eb) 16 | 17 | - [optix-dev package in Spack](https://packages.spack.io/package.html?name=optix-dev) 18 | 19 | 20 | ### Version 8.0.0 21 | 22 | - The EasyConfig is derived from the JSC one. 23 | 24 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/p/PETSc/LICENSE.md: -------------------------------------------------------------------------------- 1 | # PETSc License Information 2 | 3 | PETSc itself is covered by a 2-clause BSD license. 4 | Information is available on the 5 | ["License" page of the PETSc web site](https://petsc.org/release/install/license/#doc-license). 6 | 7 | Note that PETSc relies on many other libraries, some of which have much more restrictive 8 | licensing conditions so do not forget to check those in function of which components and options 9 | of PETSc you use. 10 | 11 | PETSc also asks users to cite relevant publications in function of the algorithms they are 12 | using. See the 13 | ["Citing PETSc" section on the PETSc web site](https://petsc.org/release/#citing-petsc). 14 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/p/PLUMED/LICENSE.md: -------------------------------------------------------------------------------- 1 | # PLUMED License Information 2 | 3 | PLUMED is distributed under the 4 | [GNU Lesser General Public License version 3.0](https://www.gnu.org/licenses/lgpl-3.0.en.html) 5 | a copy of which can be found in the 6 | [COPYING.LESSER file in the source repository](https://github.com/plumed/plumed2/blob/master/COPYING.LESSER). 7 | 8 | Users are asked to acknowledge PLUMED in their work and cite the relevant publications, see the 9 | ["How to cite PLUMED" page on the PLUMED web site](https://www.plumed.org/cite). 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/p/PLUMED/USER.md: -------------------------------------------------------------------------------- 1 | # PLUMED user information 2 | 3 | **Note: Recent versions of PLUMED need to be build on the compute nodes if you want 4 | to optimise for them (and hence use `partition/C` or `partition/G`).** 5 | 6 | **After the March-April 2023 system update the EasyConfigs of PLUMED were replaced with 7 | two versions due to build problems on the updated system.** 8 | 9 | - `-cray-python-3.9.12.1` versions include Python support as before, with the 10 | `cray-python` module now loaded explicitly as a dependency. 11 | 12 | These EasyConfigs in particular are currently workarounds as we are not sure about 13 | the root cause of the problem yet and suspect the configure process may still be 14 | picking up unintended versions of packages. 15 | 16 | - `-noPython` versions have Python support disabled. 17 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/p/ParMETIS/README.md: -------------------------------------------------------------------------------- 1 | # ParMETIS extra easyconfigs 2 | 3 | ## EasyBUild 4 | 5 | ### 4.0.3-cpeGNU-24.03-shared 6 | 7 | - Shared library version of ParMETIS, needing just a simple change to the 8 | `configopts`. 9 | 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/p/ParaView/LICENSE.md: -------------------------------------------------------------------------------- 1 | # ParaView license information 2 | 3 | ParaView is distributed under the 4 | [3-Clause BSD License](https://opensource.org/licenses/BSD-3-Clause). 5 | Some packages leveraged by ParaView have different licenses. 6 | The exact licensr formulation for Paraview and those packages can 7 | be found on the 8 | ["ParaView License" page of the ParaView web site](https://www.paraview.org/license/). 9 | 10 | From 5.13.3 on, the license information can also be found in 11 | `$EBROOTPARAVIEW/share/licenses/ParaView` after installing and loading the module. 12 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/p/ParaView/USER.md: -------------------------------------------------------------------------------- 1 | # ParaView user instructions 2 | 3 | ## Running ParaView with OpenGL acceleration 4 | 5 | To run ParaView with OpenGL accelleration, it should be started via `vglrun -d egl0`. 6 | 7 | This version of ParaView is mostly offered for power users for whom the configuration 8 | in the LUMI web interface is not sufficient. The EasyBuild recipe can be a starting 9 | point for further customisations. 10 | 11 | The compilation time for ParaView is very long. It can easily take two hours on busy 12 | login nodes... 13 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/p/PyFR/LICENSE.md: -------------------------------------------------------------------------------- 1 | # PyFR license. 2 | 3 | The PyFR license can be found in the 4 | [LICENSE file in the PyFR GitHub repository](https://github.com/PyFR/PyFR/blob/develop/LICENSE). 5 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/p/PyFR/README.md: -------------------------------------------------------------------------------- 1 | # PyFR 2 | 3 | * [PyFR web site](https://www.pyfr.org/) 4 | 5 | * [PyFR Documentation](https://pyfr.readthedocs.io/en/latest/) 6 | 7 | * [PyFR on GitHub](https://github.com/PyFR/PyFR) 8 | 9 | 10 | ## EasyBuild 11 | 12 | * [PyFR support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/p/PyFR) 13 | 14 | * [PyFR support in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/p/PyFR) 15 | 16 | 17 | ### Version 1.15.0 for CPE GNU 22.08 18 | 19 | * Created from scratch for LUMI 20 | 21 | ### Version 2.0.3 for CPE GNU 24.03 22 | 23 | * Based on previous easyconfigs with addition of an extra dependency, 24 | libspatialindex required by the Rtree python package -------------------------------------------------------------------------------- /easybuild/easyconfigs/p/PyTorch/LICENSE.md: -------------------------------------------------------------------------------- 1 | # PyTorch license information 2 | 3 | The PyTorch license can be found in the 4 | [LICENSE file in the PyTorch GitHub](https://github.com/pytorch/pytorch/blob/master/LICENSE). 5 | 6 | Note however that in order to use PyTorch you will also be using several other packages that 7 | have different licenses. 8 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/q/QuEST/LICENSE.md: -------------------------------------------------------------------------------- 1 | # QuEST License 2 | 3 | QuEST is distributed under the MIT License, 4 | a copy of which can be found in the 5 | [LICENCE.txt file in the source repository](https://github.com/QuEST-Kit/QuEST/blob/master/LICENCE.txt). 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/q/QuantumESPRESSO/LICENSE.md: -------------------------------------------------------------------------------- 1 | # QuantumESPRESSO License Information 2 | 3 | Quantum ESPRESSO requires users to register before they can get access to the source code. 4 | 5 | Quantum ESPRESSO is coverd by the GNU General Public License. 6 | Some information can be found int the 7 | ["Terms of use" in the user guide](http://www.quantumespresso.org/Doc/user_guide/node6.html) 8 | and in the 9 | ["License" file in the Quantum ESPRESSO GitLab repository](https://gitlab.com/QEF/q-e/-/raw/develop/License?ref_type=heads). 10 | 11 | From LUMI/23.09 on, the information is also available in 12 | `$EBROOTQUANTUMESPRESSO/share/licenses/QuantumESPRESSO` after installation of the package and 13 | loading of the module. 14 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/q/QuantumESPRESSO/files/gab128-qe-intranode.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Lumi-supercomputer/LUMI-EasyBuild-contrib/2b2ddcdc843cf87757faa693dec32b902ebead05/easybuild/easyconfigs/q/QuantumESPRESSO/files/gab128-qe-intranode.png -------------------------------------------------------------------------------- /easybuild/easyconfigs/r/R/LICENSE.md: -------------------------------------------------------------------------------- 1 | # R License Information 2 | 3 | R itself is available as free software under the 4 | GNU General Public License, see the 5 | ["COPYING" page on the R web site](https://www.r-project.org/COPYING). 6 | 7 | Several of the EasyConfigs provide additional packages from [CRAN](https://cran.r-project.org/) and other 8 | sources that may be licensed differently though. It is the User's responsibility 9 | to ensure that all packages can be legally used by them as some may have liceses 10 | that restrict use. 11 | 12 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/r/R/Rmpi-0.7-2_Cray.patch: -------------------------------------------------------------------------------- 1 | --- Rmpi/configure.orig 2022-08-10 12:04:09.178493481 +0300 2 | +++ Rmpi/configure 2022-08-10 12:04:30.678222051 +0300 3 | @@ -3797,7 +3797,7 @@ 4 | PKG_LIBS="-Wl,-rpath,${MPI_LIBPATH} -L${MPI_LIBPATH} -lmpich -lmpigf -lmpigi ${MPI_LIBS}" 5 | ;; 6 | CRAY) 7 | - PKG_LIBS="-L${MPI_LIBPATH} -lmpich_cray_default64 -lmpl -lopa ${MPI_LIBS}" 8 | + PKG_LIBS="${MPI_LIBS}" 9 | ;; 10 | *) 11 | as_fn_error $? "Unknown type of mpi: use --with-Rmpi-type or RMPI_TYPE to specify it" "$LINENO" 5 12 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/r/Rust/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Rust license information 2 | 3 | The Rust programming language is dual-licensed under the 4 | [Apache License, version 2.0](http://www.apache.org/licenses/LICENSE-2.0) and the 5 | [MIT license](http://opensource.org/licenses/MIT). 6 | See also the 7 | ["Licenses" page on the Rust web site](https://www.rust-lang.org/policies/licenses). 8 | 9 | For Rust itself, the licenses can also be found in the 10 | [LICENSE-APACHE](https://github.com/rust-lang/rust/blob/master/LICENSE-APACHE) and 11 | [LICENSE-MIT](https://github.com/rust-lang/rust/blob/master/LICENSE-MIT) 12 | files in the source repository. 13 | The repository also contains a 14 | [copyright notice in the COPYRIGHT file](https://github.com/rust-lang/rust/blob/master/COPYRIGHT). 15 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/r/Rust/USER.md: -------------------------------------------------------------------------------- 1 | # Rust user instructions 2 | 3 | Rust is offered "as is", without support from the LUMI User Support Team as it 4 | is not a typical HPC language and as we don't have the personpower to build up 5 | proper knowledge about Rust. 6 | 7 | The Rust compiler is known to conflict with the Cray PE in certain circumstances 8 | and recent versions are also incompatible with the system GCC of LUMI causing the 9 | bootstrap procedure during installation to fail. 10 | 11 | The Rust EasyConfig files that we provide rely on GCC for the installation of 12 | the compiler but don't need GCC anymore afterwards which is why no toolchain is 13 | loaded explicitly. 14 | 15 | We cannot guarantee that object files generated by the Rust compiler can link with 16 | object files or libraries from the Cray PE as the Rust compiler is based on its own 17 | version of LLVM which may not correspond with any Cray or AMD compiler version on 18 | the system at a given time. 19 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/SAMtools/LICENSE.md: -------------------------------------------------------------------------------- 1 | # SAMtools license information 2 | 3 | SAMtools is distributed under the MIT/Expat License, a copy of which can be found in the 4 | [LICENSE file in the SAMtools GitHub repository](https://github.com/samtools/samtools/blob/develop/LICENSE) 5 | 6 | Please also note the 7 | ["Citing" section in the README file in that repository](https://github.com/samtools/samtools#citing): 8 | users are asked to cite a particular paper when usig SAMtools for publications. 9 | 10 | After installation of the package and loading of the module, the LICENSE and README 11 | files are available in `$EBROOTSAMTOOLS/share/licenses/SAMtools` (from version 1.17 12 | on). 13 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/SPLA/LICENSE.md: -------------------------------------------------------------------------------- 1 | # SPLA license information 2 | 3 | SPLA is licensed under a 4 | BSD 3-Clause License 5 | a copy of which can be found in the 6 | [LICENSE file in the GitHub repository](https://github.com/eth-cscs/spla/blob/master/LICENSE). 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/SPLA/SPLA-1.5.5_rocm6-memorytype.patch: -------------------------------------------------------------------------------- 1 | diff -ruN spla-1.5.5.orig/src/gpu_util/gpu_pointer_translation.hpp spla-1.5.5/src/gpu_util/gpu_pointer_translation.hpp 2 | --- spla-1.5.5.orig/src/gpu_util/gpu_pointer_translation.hpp 2023-04-25 09:55:56.000000000 +0300 3 | +++ spla-1.5.5/src/gpu_util/gpu_pointer_translation.hpp 2024-08-22 16:57:26.000000000 +0300 4 | @@ -54,7 +54,7 @@ 5 | std::pair ptrPair{nullptr, nullptr}; 6 | 7 | // get memory type - cuda 10 changed attribute name 8 | -#if defined(SPLA_CUDA) && (CUDART_VERSION >= 10000) 9 | +#if (defined(SPLA_CUDA) && (CUDART_VERSION >= 10000)) || (defined(SPLA_ROCM) && HIP_VERSION_MAJOR > 5) 10 | auto memoryType = attr.type; 11 | #else 12 | auto memoryType = attr.memoryType; 13 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/STAR/LICENSE.md: -------------------------------------------------------------------------------- 1 | # SAMtools license information 2 | 3 | STAR is distributed under the MIT/Expat License, a copy of which can be found in the 4 | [LICENSE file in the STAR GitHub repository](https://github.com/alexdobin/STAR/blob/master/LICENSE). 5 | 6 | After installation of the package and loading of the module, the LICENSE file is also 7 | available in `$EBROOTSAMTOOLS/share/licenses/STAR`. 8 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/STAR/README.md: -------------------------------------------------------------------------------- 1 | # STAR technical information 2 | 3 | - [STAR on GitHub](https://github.com/alexdobin/STAR) 4 | 5 | - [STAR GitHub releases](https://github.com/alexdobin/STAR/releases) 6 | 7 | 8 | ## EasyBuild 9 | 10 | - [STAR support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/s/STAR) 11 | 12 | - There is no STAR support in the CSCS repository 13 | 14 | - [STAR support in Spack](https://packages.spack.io/package.html?name=star) 15 | 16 | 17 | ### Version 2.7.11b in 24.03 18 | 19 | - The EasyConfig is an adaptation of the EasyBuilders one, with some 20 | reorganisation to align with what we usually do on LUMI. 21 | 22 | - Played a bit with `toolchainopts` so that the options that are set 23 | by EasyBuild correspond to those used in the Makefile already so to 24 | not lower the optimisation level normally used by the authors. 25 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/STRUMPACK/LICENSE.md: -------------------------------------------------------------------------------- 1 | # STRUMPACK icense Information 2 | 3 | STRUMPACK is distributed under a BSD-style license. 4 | See the 5 | [LICENSE file in the GitHub repository](https://github.com/pghysels/STRUMPACK/blob/master/LICENSE) 6 | for precise information. 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/STRUMPACK/README.md: -------------------------------------------------------------------------------- 1 | # STRUMPACK instructions 2 | 3 | - [STRUMPACK web site](https://portal.nersc.gov/project/sparse/strumpack/index.html) (different from the EasyConfig) 4 | 5 | - [STRUMPACK on GitHub](https://github.com/pghysels/STRUMPACK) 6 | 7 | - [GitHub releases](https://github.com/pghysels/STRUMPACK/releases) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - [STRUMPACK support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/s/STRUMPACK) 13 | 14 | 15 | ### Version 6.3.1 for cpeGNU 22.08 16 | 17 | - The EasyConfig files are derived from those in the EasyBuilders repository, but 18 | support for AMD GPUs has been added. 19 | 20 | 21 | ### Version 7.0.1 CPU for cpeGNU 24.03 22 | 23 | - Made the layout more readable. 24 | 25 | - Corrected the homepage. 26 | 27 | Note that the main author, Pieter Ghysels, has left the national labs and is 28 | now working for AMD. It remains to be seen how this package will further evolve. 29 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/SWIG/LICENSE.md: -------------------------------------------------------------------------------- 1 | # SWIG license information 2 | 3 | The SWIG license information can be found in the 4 | ["Legal Talk" page of the SWIG web site](https://www.swig.org/legal.html). 5 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/SWIG/README.md: -------------------------------------------------------------------------------- 1 | # SWIG 2 | 3 | * [SWIG Website](http://www.swig.org/) 4 | 5 | ## General information 6 | 7 | SWIG is an interface compiler that connects programs written in C and C++ with 8 | scripting languages such as Perl, Python, Ruby, and Tcl. It works by taking the 9 | declarations found in C/C++ header files and using them to generate the wrapper 10 | code that scripting languages need to access the underlying C/C++ code. 11 | In addition, SWIG provides a variety of customization features that let you 12 | tailor the wrapping process to suit your application. 13 | 14 | ## EasyBuild 15 | 16 | * [SWIG in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/s/SWIG) 17 | * [SWIG in the CSCS repository](https://github.com/easybuilders/CSCS/tree/master/easybuild/easyconfigs/s/SWIG) 18 | 19 | 20 | ### Version 4.0.2 for CPE GNU 21.08 and 21.12 21 | 22 | * The EasyConfig is derived from the EasyBuilders one 23 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/SWIG/SWIG-4.1.1-cpeGNU-24.03.eb: -------------------------------------------------------------------------------- 1 | local_zlib_version = '1.3.1' 2 | local_PCRE2_version = '10.42' 3 | 4 | name = 'SWIG' 5 | version = '4.1.1' 6 | 7 | homepage = 'http://www.swig.org/' 8 | 9 | description = """ 10 | SWIG is a software development tool that connects programs written in C and C++ 11 | with a variety of high-level programming languages. 12 | """ 13 | 14 | toolchain = {'name': 'cpeGNU', 'version': '24.03'} 15 | toolchainopts = {'pic': True} 16 | 17 | source_urls = [SOURCEFORGE_SOURCE] 18 | sources = [SOURCELOWER_TAR_GZ] 19 | checksums = ['2af08aced8fcd65cdb5cc62426768914bedc735b1c250325203716f78e39ac9b'] 20 | 21 | builddependencies = [ 22 | ('buildtools', '%(toolchain_version)s', '', True), 23 | ('craype-network-none', EXTERNAL_MODULE), 24 | ('craype-accel-host', EXTERNAL_MODULE), 25 | ] 26 | 27 | dependencies = [ 28 | ('zlib', local_zlib_version), 29 | ('PCRE2', local_PCRE2_version), 30 | ] 31 | 32 | configopts = '--without-alllang --with-boost=no' 33 | 34 | moduleclass = 'devel' -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/SZ/LICENSE.md: -------------------------------------------------------------------------------- 1 | # SZ license information 2 | 3 | The SZ package is distributed under a BSD-style license that can be found in the 4 | [`copyright-and-BSD-license.txt` file in the SZ2 GitHub](https://github.com/szcompressor/SZ2/blob/master/copyright-and-BSD-license.txt). 5 | 6 | From LUMI/24.03 on, this file can also be found in 7 | `$EBROOTSZ/share/licenses/SZ` after installing and loading the module. 8 | 9 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/ScaLAPACK/LICENSE.md: -------------------------------------------------------------------------------- 1 | # ScaLAPACK License Information 2 | 3 | ScaLAPACK is distriguted under a modified BSD license. See the 4 | ["Licensing" section on the netlib.org ScaLPACK web site](https://netlib.org/scalapack/#_licensing). 5 | 6 | From version 4.0 on, the license information can also be found in 7 | `$EBROOTSCALAPACK/share/licenses/ScaLAPACK` after installation and loading 8 | the ScaLAPACK module. 9 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/Scalasca/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Scalasca information 2 | 3 | The Scalasca version 2 licensing agreement can be found on the 4 | ["Scalasca v2 License Agreement" page in the manuals](https://apps.fz-juelich.de/scalasca/releases/scalasca/2.6/docs/manual/license.html). 5 | 6 | Since version 2.6.2, this information is also available in 7 | `$EBROOTSCALASCA/share/licenses/Scalasca` after installing and loading the module. 8 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/Scalasca/USER.md: -------------------------------------------------------------------------------- 1 | # Scalasca User Information 2 | 3 | Scalasca is part of the Score-P ecosystem. 4 | See the [Score-P user instructions](../Score-P/index.md) 5 | for more information. 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/Score-P/LICENSE.md: -------------------------------------------------------------------------------- 1 | # License information for Score-P 2 | 3 | Score-P is available under the 4 | [3-clause BSD Open Source license](https://opensource.org/license/bsd-3-clause). 5 | For more information, check the 6 | [COPYING file in the sources repository](https://gitlab.com/score-p/scorep/-/blob/master/COPYING). 7 | 8 | From version 9.0 on, this information can also be found in 9 | `$EBROOTSCOREMINP/share/licenses/Score-P` after installing and loading the module. 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/Score-P/Score-P-8.4-fix-mpi-dependency-Cray-ldflags.patch: -------------------------------------------------------------------------------- 1 | Fixes make installcheck failing due to libraries incorrectly being parsed when 2 | generating library dependencies. This also caused any instrumentation with MPI 3 | to fail. This issue is only noticed with Crays ftn compiler. 4 | --- a/build-config/common/generate-library-dependencies.sh 5 | +++ b/build-config/common/generate-library-dependencies.sh 6 | @@ -148,7 +148,12 @@ parse_la () 7 | done 8 | 9 | for i in ${ldflags}; do 10 | - printf ' ldflags.push_back( "%s" );\n' "${i}" 11 | + case ${i} in 12 | + -L*) 13 | + printf ' ldflags.push_back( "%s" );\n' "${i}" ;; 14 | + *) 15 | + printf ' ldflags.push_back( "-L%s" );\n' "${i}" ;; 16 | + esac 17 | done 18 | 19 | for i in ${rpath}; do 20 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/Siesta/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Siesta license information 2 | 3 | Siesta is distributed under the 4 | [GNU General Public License verison 3.0](https://www.gnu.org/licenses/gpl-3.0.html) 5 | a copy of which can also be found in the 6 | [COPYING file in the Siesta GitLab repo](https://gitlab.com/siesta-project/siesta/-/blob/master/COPYING). 7 | 8 | After installation and loading the module, the license information 9 | (and some other information) is also available in the directory 10 | `$EBROOTSIESTA/share/licenses/Siesta`. 11 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/Siesta/README.md: -------------------------------------------------------------------------------- 1 | # SIESTA information 2 | 3 | - [SIESTA home page](https://siesta-project.org/siesta/) 4 | 5 | - SIESTA is also one of the flagship codes of the 6 | [EuroHPC CoE Max](https://www.hpccoe.eu/max2/) 7 | 8 | - [SIESTA development on GitLab](https://gitlab.com/siesta-project/siesta) 9 | 10 | - [SIESTA documentation site](https://docs.siesta-project.org/) 11 | 12 | 13 | ## EasyBuild 14 | 15 | - [Support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/s/Siesta) 16 | 17 | - There is no support in the CSCS repository. 18 | 19 | - [Support in Spack](https://packages.spack.io/package.html?name=siesta) 20 | 21 | 22 | ### Siesta 4.1.5 for cpeGNU 22.12, CPU version 23 | 24 | - The EasyConfig is developed by LUST using `MakeCp` rather 25 | then adapting the software-specific easyblock from EasyBuild. 26 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/Silo/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Silo license 2 | 3 | Silo is licensed under a [3-clause BSD Open Source license](https://opensource.org/license/bsd-3-clause). 4 | See also the [COPYRIGHT file in the Silo GitHub repository](https://github.com/LLNL/Silo/blob/main/COPYRIGHT) 5 | and further information in the [BSD_LICENSE_README file in that repo](https://github.com/LLNL/Silo/blob/main/BSD_LICENSE_README). 6 | 7 | These files can also be found in 8 | `$EBROOTSILO/share/licenses/Silo` after installing and loading the module. 9 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/Silo/README.md: -------------------------------------------------------------------------------- 1 | # Silo technical information 2 | 3 | - [Silo website](https://wci.llnl.gov/simulation/computer-codes/silo/) 4 | 5 | - [Silo GitHub](https://github.com/LLNL/Silo) 6 | 7 | - [GitHub releases](https://github.com/LLNL/Silo/releases) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - There is no support for Silo in the EasyBuilders repository. 13 | 14 | - There is no support for Silo in the CSCS repository 15 | 16 | - [Silo in the JSC EasyConfigs repository](https://github.com/easybuilders/JSC/tree/2025/Golden_Repo/s/Silo) 17 | 18 | - [The silo package in Spack](https://packages.spack.io/package.html?name=silo) 19 | 20 | 21 | ### Version 4.11.1 for cpeGNU/24.03 22 | 23 | - The EasyConfig is based on the JSC EasyConfigs for Silo. 24 | 25 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/SpFFT/LICENSE.md: -------------------------------------------------------------------------------- 1 | # SpFFT license information 2 | 3 | The SpFFT library is licensed under a 4 | BSC 3-Clause License, 5 | a copy of which can be found in the 6 | [LICENSE file in the SpFFT GitHub](https://github.com/eth-cscs/SpFFT/blob/master/LICENSE). 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/SuperLU/LICENSE.md: -------------------------------------------------------------------------------- 1 | # SuperLU_DIST license information 2 | 3 | The SuperLU license can be found in the 4 | [License.txt filel on the SuperLU web site](https://portal.nersc.gov/project/sparse/superlu/License.txt) 5 | of the 6 | [License.txt file in the GitHub repository](https://github.com/xiaoyeli/superlu/blob/master/License.txt). 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/SuperLU/README.md: -------------------------------------------------------------------------------- 1 | # SuperLU instructions 2 | 3 | - [SuperLU home page](https://portal.nersc.gov/project/sparse/superlu/) 4 | 5 | - [SuperLU on GitHub](https://github.com/xiaoyeli/superlu) 6 | 7 | - [GitHub releases](https://github.com/xiaoyeli/superlu/releases) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - [SuperLU package in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/s/SuperLU) 13 | 14 | - There is no support for SuperLU in the CSCS repository. 15 | 16 | 17 | ### Version 6.0.0 for CPE 23.09 18 | 19 | - The EasyConfig is a LUST development. 20 | 21 | ### Version 6.0.0 for cpeGNU 24.03 22 | 23 | - Update based on previous easyconfigs 24 | 25 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/SuperLU_DIST/LICENSE.md: -------------------------------------------------------------------------------- 1 | # SuperLU_DIST license information 2 | 3 | The SuperLU license can be found in the 4 | [License.txt filel on the SuperLU web site](https://portal.nersc.gov/project/sparse/superlu/License.txt) 5 | of the 6 | [License.txt file in the GitHub repository](https://github.com/xiaoyeli/superlu_dist/blob/master/License.txt). 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/SuperLU_DIST/README.md: -------------------------------------------------------------------------------- 1 | # SuperLU_DIST instructions 2 | 3 | - [SuperLU home page](https://portal.nersc.gov/project/sparse/superlu/) 4 | 5 | - [SuperLU_DIST on GitHub](https://github.com/xiaoyeli/superlu_dist) 6 | 7 | - [GitHub releases](https://github.com/xiaoyeli/superlu_dist/releases) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - [SuperLU_DIST package in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/s/SuperLU_DIST) 13 | 14 | - There is no support for SuperLU in the CSCS repository. 15 | 16 | 17 | ### Version 7.2.0 for cpeGNU 22.08 18 | 19 | - The EasyConfig is an extended version of the EasyBuilders one. 20 | 21 | 22 | ### Version 8.1.2 23 | 24 | - The EasyConfig is adapted from the 7.2.0 one. 25 | 26 | - But **note that OpenMP is disabled in this version**. 27 | 28 | ### Version 9.0.0 for cpeGNU 24.03 29 | 30 | - Update based on previous easyconfigs 31 | 32 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/seacas-exodus/LICENSE.md: -------------------------------------------------------------------------------- 1 | # SEACAS/Exodus License information 2 | 3 | The license information for SEACAS Exodus can be found in the 4 | [LICENSE file in the SEACAS GitHub](https://github.com/sandialabs/seacas/blob/master/LICENSE). 5 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/seff/LICENSE.md: -------------------------------------------------------------------------------- 1 | # seff License Information 2 | 3 | seff/Slurm is free software; you can redistribute it and/or modify it under the 4 | terms of the [GNU General Public License](http://www.gnu.org/licenses/gpl.html) 5 | as published by the [Free Software Foundation](http://fsf/org/); either version 6 | 2 of the License, or (at your option) any later version. -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/seff/README.md: -------------------------------------------------------------------------------- 1 | # seff 2 | 3 | * [seff in the Slurm repository](https://github.com/SchedMD/slurm/tree/master/contribs/seff) 4 | 5 | ## EasyBuild 6 | 7 | * There is no support in the Easybuilders or CSCS repository. 8 | 9 | ### Version 22.05.8 10 | 11 | * Custom easyconfig for LUMI 12 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/seff/USER.md: -------------------------------------------------------------------------------- 1 | # seff user instructions 2 | 3 | This is the `seff` command to try to extract efficiency data from Slurm. 4 | 5 | It is provided "as is". We know it is broken on LUMI and cannot deal properly 6 | with all hyperthreading scenarios so the numbers reported may actually be wrong 7 | by a factor of two. No need to send in tickets for that, and it is also the reason 8 | why it is not in the central software stack. 9 | 10 | Even when it works the results have to be taken with a grain of salt. 11 | E.g., 100% CPU use says nothing about true efficiency as some runtimes use 12 | busy waiting. Nor does it tell anything about, e.g., proper use of the caches. 13 | Only thorough profiling of your application can give you proper efficiency 14 | information. 15 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/seff/seff-22.05.8.eb: -------------------------------------------------------------------------------- 1 | # Created for LUMI by Orian Louant 2 | 3 | easyblock = 'ConfigureMake' 4 | 5 | name = 'seff' 6 | version = '22.05.8' 7 | 8 | homepage = 'https://slurm.schedmd.com/' 9 | 10 | whatis = ['Description: seff is an utility that reports on job\'s CPU and memory utilization'] 11 | 12 | description = """ 13 | seff is a small utility that takes a Slurm jobid and reports on the efficiency 14 | of that job's CPU and memory utilization. 15 | """ 16 | 17 | software_license_urls = ['https://slurm.schedmd.com/disclaimer.html'] 18 | 19 | toolchain = SYSTEM 20 | 21 | source_urls = ['https://github.com/SchedMD/slurm/archive/refs/tags'] 22 | sources = ['slurm-22-05-8-1.tar.gz'] 23 | checksums = ['8c8f6a26a5d51e6c63773f2e02653eb724540ee8b360125c8d7732314ce737d6'] 24 | 25 | install_cmd = 'cd contribs/perlapi && make -j%(parallel)s install && cd - && ' 26 | install_cmd += 'cd contribs/seff && make install' 27 | 28 | sanity_check_paths = { 29 | 'files': ['bin/seff'], 30 | 'dirs': [], 31 | } 32 | 33 | moduleclass = 'tools' 34 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/singularity-bindings/LICENSE.md: -------------------------------------------------------------------------------- 1 | # singularity-biondings license 2 | 3 | The singularity-bindings module is a development of the LUMI User Support Team and entirely 4 | implemented as an EasyConfig file. Hence the 5 | [licensing of the LUMI-EasyBuild-contrib](https://github.com/Lumi-supercomputer/LUMI-EasyBuild-contrib/blob/main/LICENSE) 6 | GitHub repository applies (GNU Genmeral Public License v3.0). 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/s/spglib/LICENSE.md: -------------------------------------------------------------------------------- 1 | # spglib license information 2 | 3 | Spglib is licensed under a 4 | BSD 3-Clause License 5 | a copy of which can be found in the 6 | [COPYING file in the GitHub repository](https://github.com/spglib/spglib/blob/develop/COPYING). 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/t/Trilinos/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Trilinos license information. 2 | 3 | The Trilinos project is a collection of open-source packages licensed 4 | individually under multiple open-source licenses. Licensing terms are 5 | available at 6 | [the "License" page at the Trilinos website](https://trilinos.github.io/license.html). 7 | 8 | For information about the software license for a particular package, 9 | see package-specific documentation. -------------------------------------------------------------------------------- /easybuild/easyconfigs/u/UppASD/LICENSE.md: -------------------------------------------------------------------------------- 1 | # UppASD License Information 2 | 3 | The UppASD software is covered by the 4 | [GNU General Public License v3.0](https://www.gnu.org/licenses/gpl-3.0.html) 5 | a copy of which is included in the 6 | [LICENSE file in the UppASD GitHub repository](https://github.com/UppASD/UppASD/blob/master/LICENSE). 7 | 8 | After installation and loading of the module, the license is also available as the 9 | `$EBROOTUPPASD/share/licenses/UppASD/LICENSE` file (from the 22.12 toolchains on). 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/u/UppASD/USER.md: -------------------------------------------------------------------------------- 1 | # UppASD user instructions 2 | 3 | The UppASD build recipes are contributed by KTH but adapted for LUMI. 4 | 5 | The build recipes do install the Python ASD_GUI and ASD_Tools code 6 | (in $EBROOTUPPASD/ASD_GUI and $EBROOTUPPASD/ASD_Tools respectively) but do not build a Python 7 | environment with all dependencies of those packages. Given that several of the 8 | dependencies link to graphics UI libraries which are notoriously hard to run on 9 | LUMI, it may be better to either build a conda container using lumi-container-wrapper 10 | or cotainr, or simply run the Python code on a workstation. 11 | `$EBROOTUPPASD/requirements.txt` is the Python pip requirements file included in 12 | the GitHub repository, but `$EBROOTUPPASD/ASD_GUI` contains a different one also. 13 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/u/unicore-uftp/LICENSE.md: -------------------------------------------------------------------------------- 1 | # unicore-uftp client license 2 | 3 | The UNICORE UFTP client is covered by a 4 | [2-clause BSD license](https://opensource.org/license/bsd-2-clause/). 5 | 6 | After installation of the package and loading of the module, the license 7 | is available as the file `LICENSE` in 8 | `$EBROOTUNICOREMINUFTP/share/licenses/unicore-uftp`. 9 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/v/VASP/LICENSE.md: -------------------------------------------------------------------------------- 1 | # VASP license information 2 | 3 | Given the [licensing conditions of VASP](https://www.vasp.at/sign_in/registration_form/), 4 | users of VASP on LUMI need to provide their own license, but can use the provided 5 | EasyConfig files for the installation. See the user documentation that we provide. 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/v/VCFtools/LICENSE.md: -------------------------------------------------------------------------------- 1 | # VCFtools license information 2 | 3 | Licensing information for VCFtools is available on the 4 | ["License" page of the VCFtools web page](https://vcftools.github.io/license.html)./ 5 | 6 | The package is released under the 7 | [GNU Lesser General Public License version 3.0 (LGPLv3)](https://www.gnu.org/licenses/lgpl-3.0.en.html). 8 | Users of VCFtools are also aksked to cite a specific paper. 9 | 10 | This information is also available in the 11 | [README.md file](https://github.com/vcftools/vcftools/blob/master/README.md) and the 12 | [LICENSE file](https://github.com/vcftools/vcftools/blob/master/LICENSE) 13 | in the VCFtools GitHub repository. 14 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/v/VCFtools/VCFtools-0.1.16_gzip_regexp.patch: -------------------------------------------------------------------------------- 1 | # Patch by Kurt Lust, University of Antwerp, for the LUMI consortium 2 | # Fixes a regex used to check for the .gz file extension 3 | # (pull request 151 in the GitHub repository or commit 4 | # 581c231991cb4db017b92eabc573e17128541ab5). 5 | # Patch created as there hasn't been a new release for years 6 | # at the moment of the creation of this patch. 7 | --- src/perl/Vcf.pm.orig 2022-08-05 12:26:59.000000000 +0200 8 | +++ src/perl/Vcf.pm 2022-08-05 12:27:38.000000000 +0200 9 | @@ -201,7 +201,7 @@ 10 | $tabix_args .= qq['$$self{file}']; 11 | if ( exists($args{region}) && defined($args{region}) ) { $tabix_args .= qq[ '$args{region}']; } 12 | 13 | - if ( -e $$self{file} && $$self{file}=~/\.gz/i ) 14 | + if ( -e $$self{file} && $$self{file}=~/\.gz$/i ) 15 | { 16 | if ( exists($args{region}) && defined($args{region}) ) 17 | { 18 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/v/VTK/LICENSE.md: -------------------------------------------------------------------------------- 1 | # VTK License Information 2 | 3 | VTK is licensed under the BSD license; see the 4 | [VTK License page](https://vtk.org/about/#license). 5 | 6 | After installing and loading the module, the license information is also available 7 | in `$EBROOTVTK/share/licenses/VTK`. 8 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/v/VTK/README.md: -------------------------------------------------------------------------------- 1 | # VTK technical information 2 | 3 | - [VTK website](https://www.vtk.org) 4 | 5 | - [Downloads from the website](https://vtk.org/download/) 6 | 7 | - [VTK GitLab](https://gitlab.kitware.com/vtk/vtk) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - [VTK support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/v/VTK) 13 | 14 | - [VTK support in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/v/VTK) 15 | 16 | - [VTK support in the JSC repository](https://github.com/easybuilders/JSC/tree/2025/Golden_Repo/v/VTK) 17 | 18 | - [vtk in Spack](https://packages.spack.io/package.html?name=vtk) 19 | 20 | 21 | ### Version 9.2.6 for cpeGNU/24.03 22 | 23 | - The EasyConfig is a LUST development borrowing heavily from the JSC EasyConfigs. 24 | 25 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/v/VTK/VTK-9.2.6_fix-gcc-13-compilation.patch: -------------------------------------------------------------------------------- 1 | --- VTK-9.2.6/IO/Image/vtkSEPReader.h 2023-02-15 05:03:53.000000000 +0100 2 | +++ VTK-9.2.6.new/IO/Image/vtkSEPReader.h 2024-10-05 13:56:16.065313830 +0200 3 | @@ -25,6 +25,7 @@ 4 | #include "vtkImageAlgorithm.h" 5 | #include "vtkNew.h" // for ivars 6 | 7 | +#include 8 | #include // for std::array 9 | #include // for std::string 10 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/v/VTK/VTK-9.2.6_remove-ospray-version-requirement.patch: -------------------------------------------------------------------------------- 1 | --- VTK-9.2.6.orig/Rendering/RayTracing/CMakeLists.txt 2025-02-06 07:01:50.683217982 +0100 2 | +++ VTK-9.2.6/Rendering/RayTracing/CMakeLists.txt 2025-02-06 07:07:04.720518178 +0100 3 | @@ -56,8 +56,7 @@ 4 | 5 | if (VTK_ENABLE_OSPRAY) 6 | vtk_module_find_package( 7 | - PACKAGE ospray 8 | - VERSION 2.1) 9 | + PACKAGE ospray) 10 | 11 | vtk_module_link(VTK::RenderingRayTracing 12 | PUBLIC 13 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/v/VTK/vtk-version.egg-info: -------------------------------------------------------------------------------- 1 | Metadata-Version: 2.1 2 | Name: vtk 3 | Version: #VTK_VERSION# 4 | Summary: VTK is an open-source toolkit for 3D computer graphics, image processing, and visualization 5 | Platform: UNKNOWN 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/v/VisIt/LICENSE.md: -------------------------------------------------------------------------------- 1 | # VisIt license 2 | 3 | VisIt is licensed under a 3-clause BSD license. 4 | The license if available as the 5 | [`LICENSE` file in the VisIt GitHub repository](https://github.com/visit-dav/visit/blob/develop/LICENSE). 6 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/v/VisIt/README.md: -------------------------------------------------------------------------------- 1 | # VisIt technical documentation 2 | 3 | - [VisIt homepage](https://visit.llnl.gov/) 4 | 5 | - [VisIt GitHub](https://github.com/visit-dav/visit) 6 | 7 | - [GitHub releases](https://github.com/visit-dav/visit/releases) 8 | 9 | 10 | ## EasyBuild 11 | 12 | - [Visit support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/v/Visit) 13 | 14 | - [Visit support in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/v/Visit) 15 | 16 | - No support for VisIt in the JSC repository. 17 | 18 | - [visit package in Spack](https://packages.spack.io/package.html?name=visit) 19 | 20 | 21 | ### Version 3.4.1 for cpeGNU/24.03 22 | 23 | - The EasyConfig is a LUST development, partly based on the EasyBuilders one, 24 | but with extensions and corrections. 25 | 26 | - The license information of VisIt is not in the source distribution that we use 27 | hence not installed in `share/licenses`. 28 | 29 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/v/VisIt/VisIt-3.4.1_parallel-hdf5.patch: -------------------------------------------------------------------------------- 1 | --- visit3.4.1.orig/src/CMake/FindHDF5.cmake 2025-02-06 17:29:46.133865618 +0100 2 | +++ visit3.4.1/src/CMake/FindHDF5.cmake 2025-02-06 17:31:10.177122451 +0100 3 | @@ -41,6 +41,6 @@ 4 | ELSE() 5 | SET_UP_THIRD_PARTY(HDF5 LIBS hdf5) 6 | IF(VISIT_PARALLEL) 7 | - SET_UP_THIRD_PARTY(HDF5_MPI LIBS hdf5_mpi) 8 | + SET_UP_THIRD_PARTY(HDF5_MPI LIBS hdf5) 9 | ENDIF(VISIT_PARALLEL) 10 | ENDIF() 11 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/v/VisRTX/LICENSE.md: -------------------------------------------------------------------------------- 1 | # VisRTX License Information 2 | 3 | - The Anari SDK is distributed under an 4 | [Apache License version 2.0](https://www.apache.org/licenses/LICENSE-2.0). 5 | A copy can be found in the 6 | [LICENSE file in the ANARI-SDK GitHub repository](https://github.com/KhronosGroup/ANARI-SDK/blob/next_release/LICENSE). 7 | 8 | - VisRTX is distributed under a 3-clause BSD license. A copy of the license can be 9 | found in the 10 | [LICENSE file in the VisRTX GitHub repository](https://github.com/NVIDIA/VisRTX/blob/next_release/LICENSE). 11 | 12 | After installation and loading of the module, the license information can also be found 13 | in the respective subdirectories of 14 | `$EBROOTVISRTX/share/licenses`. 15 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/w/WPS/LICENSE.md: -------------------------------------------------------------------------------- 1 | # WPS license information 2 | 3 | See the [WPS Readme file](https://github.com/WRF-CMake/wps/blob/wps-cmake/README) for more information on the license. -------------------------------------------------------------------------------- /easybuild/easyconfigs/w/WRF-SFIRE/LICENSE.md: -------------------------------------------------------------------------------- 1 | # WRF-SFIRE license information 2 | 3 | The license for WRF-SFIRE can be viewed on the [OpenWFM GitHub](https://github.com/openwfm/WRF-SFIRE/blob/master/LICENSE.txt). -------------------------------------------------------------------------------- /easybuild/easyconfigs/w/WRF-SFIRE/README.md: -------------------------------------------------------------------------------- 1 | # WRF-SFIRE 2 | 3 | WRF-SFIRE is an open-source code for simulating wildland fire behavior and its interaction with the atmosphere. 4 | It is based on the Weather Research and Forecasting (WRF) model and includes additional modules for fire spread modeling. 5 | 6 | - [WRF-SFIRE website](https://wiki.openwfm.org/wiki/WRF-SFIRE) 7 | 8 | - [WRF-SFIRE user guide and tutorial](https://wiki.openwfm.org/wiki/WRF-SFIRE_user_guide) 9 | 10 | 11 | ## EasyBuild 12 | 13 | ### Version W4.4-SO.1 14 | 15 | - The EasyConfig is developed by LUST and the EPICURE project, based on 16 | an EasyConfig for WRF developed by LUST. 17 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/w/Wannier90/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Wannier90 license information 2 | 3 | Wannier90 is released under the 4 | [GNU General Public License (v2)](http://www.gnu.org/licenses/old-licenses/gpl-2.0.html). 5 | 6 | Users are asked to cite a publication. Which one depends on the version and can be found on 7 | the [Wannier90 home page](http://www.wannier.org/). 8 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/w/Wannier90/README.md: -------------------------------------------------------------------------------- 1 | # Wannier90 2 | 3 | [Wannier website](http://www.wannier.org/) 4 | 5 | ## General information 6 | 7 | Wannier90 is an open-source code (released under GPLv2) for generating 8 | maximally-localized Wannier functions and using them to compute advanced 9 | electronic properties of materials with high efficiency and accuracy. 10 | 11 | * [Wannier user guide and tutorial](http://www.wannier.org/support/) 12 | 13 | ## Known Issues 14 | 15 | * There is a problem with the code version 3.1.0 and GCC 12/13 reported 16 | [in the wannier GitHub as issue 521](https://github.com/wannier-developers/wannier90/issues/521) 17 | which may result in `wannier` program faults. 18 | 19 | For mitigating the issue develop code version (end of Jan 2025) is available with eb file: 20 | - Wannier90-24Jan2025-cpeGNU-24.03.eb 21 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/w/wheel/LICENSE.md: -------------------------------------------------------------------------------- 1 | # wheel license information 2 | 3 | The wheel Python package is distributed under the MIT License, 4 | a copy of which can be found in the 5 | [LICENSE.txt file in the source repository](https://github.com/pypa/wheel/blob/main/LICENSE.txt). 6 | 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/w/wheel/README.md: -------------------------------------------------------------------------------- 1 | # wheel 2 | 3 | * [wheel Documentation](https://wheel.readthedocs.io/en/stable/) 4 | 5 | * [PEP427](https://peps.python.org/pep-0427/) 6 | 7 | * [wheel on GitHub](https://github.com/pypa/wheel) 8 | 9 | 10 | ## EasyBuild 11 | 12 | * [wheel support in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/w/wheel) 13 | 14 | * [wheel support in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/w/wheel) 15 | 16 | ### Version 0.37.1 for CPE 22.08 17 | 18 | Created from scratch for LUMI. 19 | 20 | ### Version 0.38.4 for CPE 22.12 21 | 22 | Created from scratch for LUMI. 23 | 24 | ### Version 0.38.4 for cpeCray 23.03 25 | 26 | Created from scratch for LUMI. -------------------------------------------------------------------------------- /easybuild/easyconfigs/x/Xerces-C++/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Xerces-C++ license 2 | 3 | Xerces-C++ is licensed under the 4 | [Apache License version 2.0](https://www.apache.org/licenses/LICENSE-2.0). 5 | 6 | After installation and loading of the module, a copy of the license is also available 7 | in the 8 | `$EBROOTXERCESMINCPLUSPLUS/share/licenses/Xerces-C++` subdirectory. 9 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/x/Xerces-C++/README.md: -------------------------------------------------------------------------------- 1 | # Xerces-C++ technical information 2 | 3 | - [Xerces-C++ home page](https://xerces.apache.org/xerces-c/) 4 | 5 | - [Release info](https://xerces.apache.org/xerces-c/releases.html) 6 | 7 | 8 | ## EasyBuild 9 | 10 | - [Support for Xerces-C++ in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/x/Xerces-C%2B%2B) 11 | 12 | - [Support for Xerces-C++ in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/x/xerces-c) 13 | 14 | - [Support for Xerces-C++ in Spack: package xerces-c](https://packages.spack.io/package.html?name=xerces-c) 15 | 16 | 17 | ### Version 3.2.5 for 23.09 18 | 19 | - The EasyConfig is derived from the one in the EasyBuilders repository. 20 | 21 | - Checked to also run some commands to test if they load OK, but as the 22 | commands don't have a flag to request the version and as `-h` 23 | also returns an error code, there is no easy way to check them. 24 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/x/Xerces-C++/USER.md: -------------------------------------------------------------------------------- 1 | # Xerces-C++ User Information 2 | 3 | ## What is Xercer-C++? 4 | 5 | Xerces-C++ is a validating XML parser written in a portable 6 | subset of C++. Xerces-C++ makes it easy to give your application the ability to 7 | read and write XML data. A shared library is provided for parsing, generating, 8 | manipulating, and validating XML documents using the DOM, SAX, and SAX2 9 | APIs. 10 | 11 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/y/Yambo/LICENSE.md: -------------------------------------------------------------------------------- 1 | # Yambo license information 2 | 3 | Yambo is licensed under the 4 | [GNU General Public License v2.0](https://www.gnu.org/licenses/old-licenses/gpl-2.0.html). 5 | The license information can also be found in the 6 | [`COPYING` file in the GitHub repository](https://github.com/yambo-code/yambo/blob/master/COPYING). 7 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/y/Yambo/README.md: -------------------------------------------------------------------------------- 1 | # Yambo technical information 2 | 3 | - [Yambo web site](http://www.yambo-code.org) 4 | 5 | - [Yambo on GitHub](https://github.com/yambo-code/yambo) 6 | 7 | - [GitHub releases](https://github.com/yambo-code/yambo/releases) 8 | 9 | - [GitHub tags for subreleases](https://github.com/yambo-code/yambo/tags) 10 | 11 | 12 | ## EasyBuild 13 | 14 | - [Support for Yambo in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/y/Yambo) 15 | 16 | - [Support for Yambo in the CSCS repository](https://github.com/eth-cscs/production/tree/master/easybuild/easyconfigs/y/Yambo) 17 | 18 | - [Spack support for Yambo](https://packages.spack.io/package.html?name=yambo) 19 | 20 | 21 | ### 5.2.3 for CPE 23.09, CPU-only 22 | 23 | - The EasyConfig is mostly a LUST development. 24 | 25 | 26 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/y/yaml-cpp/LICENSE.md: -------------------------------------------------------------------------------- 1 | # yaml-cpp license information 2 | 3 | The yaml-cpp package is licensed under an MIT license a copy of which is available in the 4 | [LICENSE file in the yaml-cpp GitHub repository](https://github.com/jbeder/yaml-cpp/blob/master/LICENSE). 5 | 6 | From LUMI/24,03 on, the license information can also be found in 7 | `$EBROOTYAMLMINCPP/share/licenses/yaml-cpp` after installing and loading the module. 8 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/y/yaml-cpp/README.md: -------------------------------------------------------------------------------- 1 | # yaml-cpp technical documentation 2 | 3 | - [yaml-cpp on GitHub](https://github.com/jbeder/yaml-cpp) 4 | 5 | - [GitHub releases](https://github.com/jbeder/yaml-cpp/releases) 6 | 7 | 8 | ## EasyBuild 9 | 10 | - [yaml-cpp in the EasyBuilders repository](https://github.com/easybuilders/easybuild-easyconfigs/tree/develop/easybuild/easyconfigs/y/yaml-cpp) 11 | 12 | - There is no support for yaml-cpp in the CSCS repository. 13 | 14 | 15 | ### Version 0.7.0 for cpeGNU 22.12 16 | 17 | - This is a direct port of the EasyBuilders recipe. 18 | 19 | 20 | ### Version 0.8.0 for CPE 24.03 21 | 22 | - Trivial port of the 0.7.0 recipe. 23 | 24 | - Added the license information in May 2025. 25 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/z/ZeroMQ/LICENSE.md: -------------------------------------------------------------------------------- 1 | # ZeroMQ license information 2 | 3 | The precise licensing is unclear but it is GNU-based as the sources 4 | contain both a 5 | [COPYING](https://github.com/zeromq/libzmq/blob/master/COPYING) and 6 | [COPYING.LESSER](https://github.com/zeromq/libzmq/blob/master/COPYING.LESSER) file, 7 | refering to the regular GNU General Public License version 4 and the GNU Lesser 8 | General Public License Version 3 respectively. 9 | 10 | From LUMI/24.03 on, some license information can also be found in the 11 | `$EBROOTZEROMQ` subdirectory after installing and loading the modulee. 12 | -------------------------------------------------------------------------------- /easybuild/easyconfigs/z/zfp/LICENSE.md: -------------------------------------------------------------------------------- 1 | # zfp license information 2 | 3 | The zfp library is distributed under the BSD 3-Clause License. 4 | The precise formulation can be found in the 5 | [LICENSE file in the sources](https://github.com/LLNL/zfp/blob/develop/LICENSE), 6 | which also contain a further 7 | [notice in the NOTICE file](https://github.com/LLNL/zfp/blob/develop/NOTICE). 8 | 9 | Users using zfp are asked to 10 | [cite a paritcular zfp paper](https://github.com/LLNL/zfp#citing-zfp). 11 | 12 | From version 1.0.1 on, the license information can also be found in 13 | `$EBROOTZFP/share/licenses/zfp` after installing and loading the module. 14 | --------------------------------------------------------------------------------