├── .github ├── pull_request_template.md └── workflows │ ├── docker_build.yml │ ├── python3.yml │ └── singularity_build.yml ├── .gitignore ├── CHANGELOG.md ├── LICENSE ├── MANIFEST.in ├── README.md ├── docs ├── README.md ├── building_blocks.md ├── citation.md ├── getting_started.md ├── misc_api.md ├── primitives.md ├── recipes.md ├── tutorial.md └── workflows.md ├── hpccm.sh ├── hpccm ├── Stage.py ├── __init__.py ├── base_object.py ├── building_blocks │ ├── __init__.py │ ├── amgx.py │ ├── apt_get.py │ ├── arm_allinea_studio.py │ ├── base.py │ ├── boost.py │ ├── catalyst.py │ ├── cgns.py │ ├── charm.py │ ├── cmake.py │ ├── conda.py │ ├── doca_ofed.py │ ├── fftw.py │ ├── gdrcopy.py │ ├── generic_autotools.py │ ├── generic_build.py │ ├── generic_cmake.py │ ├── gnu.py │ ├── hdf5.py │ ├── hpcx.py │ ├── intel_mpi.py │ ├── intel_psxe.py │ ├── intel_psxe_runtime.py │ ├── julia.py │ ├── knem.py │ ├── kokkos.py │ ├── libsim.py │ ├── llvm.py │ ├── magma.py │ ├── mkl.py │ ├── mlnx_ofed.py │ ├── mpich.py │ ├── multi_ofed.py │ ├── mvapich2.py │ ├── mvapich2_gdr.py │ ├── nccl.py │ ├── netcdf.py │ ├── nsight_compute.py │ ├── nsight_systems.py │ ├── nvhpc.py │ ├── nvshmem.py │ ├── ofed.py │ ├── openblas.py │ ├── openmpi.py │ ├── packages.py │ ├── pgi.py │ ├── pip.py │ ├── pmix.py │ ├── pnetcdf.py │ ├── python.py │ ├── rdma_core.py │ ├── scif.py │ ├── sensei.py │ ├── slurm_pmi2.py │ ├── ucx.py │ ├── xpmem.py │ └── yum.py ├── cli.py ├── common.py ├── config.py ├── primitives │ ├── __init__.py │ ├── baseimage.py │ ├── blob.py │ ├── comment.py │ ├── copy.py │ ├── environment.py │ ├── label.py │ ├── raw.py │ ├── runscript.py │ ├── shell.py │ ├── user.py │ └── workdir.py ├── recipe.py ├── templates │ ├── CMakeBuild.py │ ├── ConfigureMake.py │ ├── __init__.py │ ├── annotate.py │ ├── downloader.py │ ├── envvars.py │ ├── git.py │ ├── ldconfig.py │ ├── rm.py │ ├── sed.py │ ├── tar.py │ ├── wget.py │ └── zipfile.py ├── toolchain.py └── version.py ├── pydocmd.yml ├── recipes ├── easybuild.py ├── examples │ ├── basic.py │ ├── cloverleaf.py │ ├── gnu-devel.py │ ├── multistage.py │ ├── scif.py │ ├── script.py │ └── userargs.py ├── gromacs │ └── gromacs.py ├── hpcbase-gnu-mvapich2.py ├── hpcbase-gnu-openmpi.py ├── hpcbase-nvhpc-mvapich2.py ├── hpcbase-nvhpc-openmpi.py ├── hpccm │ ├── Dockerfile │ ├── README.md │ ├── Singularity.def │ └── bootstrap.py ├── jupyter │ ├── .gitignore │ ├── README.md │ ├── environment.yml │ ├── jupyter.py │ ├── notebook.ipynb │ └── requirements.txt ├── lammps │ └── lammps.py ├── milc │ └── milc.py ├── mpi_bandwidth.py ├── nvhpc.py ├── osu_benchmarks │ ├── README.md │ ├── common.py │ ├── entrypoint.sh │ └── osu_benchmarks.py └── spack.py ├── runtests.sh ├── setup.py └── test ├── bad_recipe.py ├── docker.blob ├── global_vars_recipe.py ├── helpers.py ├── include1.py ├── include2.py ├── include3.py ├── singularity.blob ├── test_CMakeBuild.py ├── test_ConfigureMake.py ├── test_Stage.py ├── test_amgx.py ├── test_annotate.py ├── test_apt_get.py ├── test_arm_allinea_studio.py ├── test_baseimage.py ├── test_bb_base.py ├── test_blob.py ├── test_boost.py ├── test_catalyst.py ├── test_cgns.py ├── test_charm.py ├── test_cli.py ├── test_cmake.py ├── test_comment.py ├── test_conda.py ├── test_config.py ├── test_copy.py ├── test_doca_ofed.py ├── test_downloader.py ├── test_environment.py ├── test_envvars.py ├── test_fftw.py ├── test_gdrcopy.py ├── test_generic_autotools.py ├── test_generic_build.py ├── test_generic_cmake.py ├── test_git.py ├── test_global_vars.py ├── test_gnu.py ├── test_hdf5.py ├── test_hpcx.py ├── test_intel_mpi.py ├── test_intel_psxe.py ├── test_intel_psxe_runtime.py ├── test_julia.py ├── test_knem.py ├── test_kokkos.py ├── test_label.py ├── test_ldconfig.py ├── test_libsim.py ├── test_llvm.py ├── test_magma.py ├── test_mkl.py ├── test_mlnx_ofed.py ├── test_mpich.py ├── test_multi_ofed.py ├── test_mvapich2.py ├── test_mvapich2_gdr.py ├── test_nccl.py ├── test_netcdf.py ├── test_nsight_compute.py ├── 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