├── .gitignore ├── LICENSE ├── R-install.bash ├── R.bash ├── R ├── R-basic.bash ├── R-mods.bash ├── lwgeom.bash ├── rgdal.bash ├── rgeos.bash ├── sf.bash ├── sp.bash ├── udunits2.bash └── units.bash ├── README.md ├── applications ├── abinit.bash ├── ape.bash ├── atk.bash ├── atom.bash ├── bader.bash ├── bedtools.bash ├── bgw.bash ├── bigdft.bash ├── blender.bash ├── bsc-perf-tools.bash ├── conda.bash ├── conda_install.bash ├── cp2k.bash ├── dftb.bash ├── dftb_slako.bash ├── dftd3.bash ├── dftd4.bash ├── elk.bash ├── espresso-packages.bash ├── espresso.bash ├── fhiaims.bash ├── gdis.bash ├── getfem.bash ├── gnuplot.bash ├── gracegtk.bash ├── gromacs.bash ├── gulp.bash ├── lammps.bash ├── meep.bash ├── molden.bash ├── mopac.bash ├── mpb.bash ├── octave.bash ├── octopus.bash ├── oncvpsp.bash ├── opari2.bash ├── openfoam.bash ├── openmx-pseudo.bash ├── openmx.bash ├── otf2.bash ├── papi.bash ├── plumed.bash ├── povray.bash ├── radiance.bash ├── scalasca.bash ├── scorep.bash ├── siesta-3.bash ├── siesta-4.0.bash ├── siesta-4.bash ├── siesta-bulk-bias.bash ├── siesta-git.bash ├── siesta-linalg.bash ├── siesta-master-debug.bash ├── siesta-master.bash ├── siesta-speed.bash ├── siesta-trunk-scf.bash ├── siesta.bash ├── tau.bash ├── tinker.bash ├── valgrind.bash ├── vasp-potcar.bash ├── vasp │ ├── 5.3-intel.bash │ ├── 5.3.bash │ ├── 5.4.bash │ ├── common-end.bash │ ├── common-init.bash │ └── vasp.bash ├── vesta.bash ├── vmd-python.bash ├── vmd.bash ├── wannier.bash ├── xcrysden.bash ├── xmgrace.bash └── yambo.bash ├── apps.bash ├── bbuild ├── compiler ├── compilers.bash ├── gcc │ ├── 4 │ │ ├── gcc.bash │ │ ├── gmp.bash │ │ ├── isl.bash │ │ ├── mpc.bash │ │ └── mpfr.bash │ ├── 5 │ │ ├── gcc.bash │ │ ├── gmp.bash │ │ ├── isl.bash │ │ ├── mpc.bash │ │ └── mpfr.bash │ ├── 6 │ │ ├── gcc.bash │ │ ├── gdb.bash │ │ ├── gmp.bash │ │ ├── isl.bash │ │ ├── mpc.bash │ │ └── mpfr.bash │ ├── 7 │ │ ├── gcc.bash │ │ ├── gdb.bash │ │ ├── gmp.bash │ │ ├── isl.bash │ │ ├── mpc.bash │ │ └── mpfr.bash │ ├── 8 │ │ ├── gcc.bash │ │ ├── gdb.bash │ │ ├── gmp.bash │ │ ├── isl.bash │ │ ├── mpc.bash │ │ └── mpfr.bash │ ├── 9 │ │ ├── gcc.bash │ │ ├── gdb.bash │ │ ├── gmp.bash │ │ ├── isl.bash │ │ ├── mpc.bash │ │ └── mpfr.bash │ ├── 10 │ │ ├── gcc.bash │ │ ├── gdb.bash │ │ ├── gmp.bash │ │ ├── isl.bash │ │ ├── mpc.bash │ │ └── mpfr.bash │ ├── 11 │ │ ├── gcc.bash │ │ ├── gdb.bash │ │ ├── gmp.bash │ │ ├── isl.bash │ │ ├── mpc.bash │ │ └── mpfr.bash │ ├── gcc-env.bash │ ├── gcc.bash │ ├── gdb.bash │ ├── gmp.bash │ ├── isl.bash │ ├── mpc.bash │ ├── mpfr.bash │ └── prereq.bash └── llvm │ ├── 7 │ └── llvm.bash │ ├── 8 │ └── llvm.bash │ ├── 9 │ └── llvm.bash │ ├── 10 │ └── llvm.bash │ ├── llvm-env.bash │ └── llvm.bash ├── custom ├── abinit.sh ├── bigdft.sh ├── elk.sh ├── espresso.sh ├── grace.sh ├── gromacs.sh ├── llvm.sh ├── mpich.sh ├── octopus.sh ├── python.sh ├── scripts.sh ├── siesta-scf.sh ├── siesta-stable.sh ├── suitesparse.sh ├── valgrind.sh ├── vasp.sh └── yambo.sh ├── default.bash ├── helpers.bash ├── helpers ├── autoconf.bash ├── autogen.bash ├── automake.bash ├── bazel.bash ├── binutils.bash ├── bison.bash ├── boost.bash ├── ccache.bash ├── cmake-bt.bash ├── cmake.bash ├── curl.bash ├── datamash.bash ├── default.bash ├── dejagnu.bash ├── doxygen.bash ├── ffmpeg.bash ├── flex.bash ├── freetype.bash ├── git.bash ├── global.bash ├── gnumake.bash ├── gpp.bash ├── graphviz.bash ├── gts.bash ├── guile.bash ├── help2man.bash ├── imake.bash ├── indent.bash ├── libffi.bash ├── libgd.bash ├── libgit2.bash ├── libpng.bash ├── libssh2.bash ├── libtool.bash ├── libunistring.bash ├── libxml2.bash ├── m4.bash ├── makedepend.bash ├── modules.bash ├── mongo.bash ├── ninja.bash ├── numactl.bash ├── openjpeg.bash ├── openssl.bash ├── optipng.bash ├── parallel.bash ├── pcre.bash ├── pcre2.bash ├── pkgconfig.bash ├── readline.bash ├── screen.bash ├── shtool.bash ├── sqlite.bash ├── stow.bash ├── swig.bash ├── termcap.bash ├── texinfo.bash ├── unwind.bash ├── wxwidgets.bash └── zlib.bash ├── julia-install.bash ├── julia.bash ├── julia └── julia-mods.bash ├── latest.bash ├── libs.bash ├── libs ├── adcl.bash ├── amd.bash ├── amgcl.bash ├── aotus.bash ├── arb.bash ├── arpack-ng.bash ├── arpack.bash ├── atlas.bash ├── atompaw.bash ├── blas.bash ├── blaze.bash ├── blis.bash ├── boost.bash ├── camd.bash ├── cblas.bash ├── ccolamd.bash ├── cgal.bash ├── cholmod.bash ├── colamd.bash ├── ctl.bash ├── dealii.bash ├── dl_mg.bash ├── eigen.bash ├── eigenexa.bash ├── elpa-debug.bash ├── elpa.bash ├── etsf_io.bash ├── expat.bash ├── fdict.bash ├── fftw-intel.bash ├── fftw.bash ├── fftw2-intel.bash ├── fftw2.bash ├── flame.bash ├── flint.bash ├── flook.bash ├── gdal.bash ├── geos.bash ├── globalarrays.bash ├── glpk.bash ├── gridxc.bash ├── gsl.bash ├── h5utils-serial.bash ├── harminv.bash ├── hdf5-serial-noszip.bash ├── hdf5-serial.bash ├── hdf5.bash ├── hwloc.bash ├── hypre.bash ├── knem.bash ├── lapack.bash ├── libffi.bash ├── libint.bash ├── libint1.bash ├── libxc.bash ├── libxml2.bash ├── libxsmm.bash ├── metis-par-3.bash ├── metis.bash ├── mpi-benchmarks.bash ├── mpich.bash ├── mumps-serial.bash ├── mumps.bash ├── mvapich.bash ├── nanoflann.bash ├── ncdf.bash ├── nco.bash ├── netcdf-logging.bash ├── netcdf-serial-noszip.bash ├── netcdf-serial.bash ├── netcdf.bash ├── netpipe.bash ├── nfft.bash ├── nlopt.bash ├── openblas.bash ├── opencoarray.bash ├── openexr.bash ├── openimageio.bash ├── openlibm.bash ├── openmpi-hpc.bash ├── openmpi.bash ├── osu-benchmarks.bash ├── otpo.bash ├── p4est.bash ├── parmetis.bash ├── parpack.bash ├── petsc.bash ├── pexsi.bash ├── pio.bash ├── plasma.bash ├── pmix.bash ├── pnetcdf.bash ├── proj.bash ├── psml.bash ├── pspio.bash ├── qhull.bash ├── scalapack-debug.bash ├── scalapack.bash ├── scotch.bash ├── seacas.bash ├── sfcgal.bash ├── slepc.bash ├── spglib.bash ├── spike.bash ├── suitesparse.bash ├── suitesparse_config.bash ├── suitesparse_separate.bash ├── superlu-dist.bash ├── superlu.bash ├── symengine.bash ├── sympack.bash ├── szip.bash ├── ucx.bash ├── udunits.bash ├── umfpack.bash ├── upcxx.bash ├── xmlf90.bash ├── xssp.bash ├── zeep.bash └── zlib.bash ├── lua ├── complex.bash ├── filesystem.bash ├── install.bash ├── ldoc.bash ├── lmod.bash ├── lua.bash ├── luajit.bash ├── mathx.bash ├── peg.bash ├── penlight.bash ├── rocks.bash ├── strip.bash └── xml.bash ├── nim-install.bash ├── nim.bash ├── nim └── nim-mods.bash ├── python-install.bash ├── python ├── ase.bash ├── backports.bash ├── biopython.bash ├── boost_amend.bash ├── bottleneck.bash ├── bzr-fastimport.bash ├── bzr.bash ├── cclib.bash ├── certifi.bash ├── cffi.bash ├── cftime.bash ├── cython.bash ├── dask-distributed.bash ├── dask.bash ├── dateutil.bash ├── distribute.bash ├── docutils.bash ├── fastimport.bash ├── fireworks.bash ├── gpaw-setups.bash ├── gpaw.bash ├── h5py.bash ├── hotbit.bash ├── imageio.bash ├── inelastica-dev.bash ├── inelastica.bash ├── ipi-dev.bash ├── ipython.bash ├── jinja2.bash ├── jsonschema.bash ├── jupyter.bash ├── krypy.bash ├── kwant.bash ├── llvmlite.bash ├── lmfit.bash ├── markupsafe.bash ├── matplotlib.bash ├── meson.bash ├── mfix.bash ├── mistune.bash ├── mock.bash ├── monty.bash ├── mpi4py.bash ├── netcdf4.bash ├── networkx.bash ├── nose.bash ├── numba.bash ├── numexpr.bash ├── numpy.bash ├── openmm.bash ├── orthopy.bash ├── pandas.bash ├── pandoc.bash ├── pep8.bash ├── petsc4py.bash ├── pexpect.bash ├── phono3py.bash ├── phonopy.bash ├── pint.bash ├── pip.bash ├── pip_installs.bash ├── pkgconfig.bash ├── plotly.bash ├── pyamg.bash ├── pybind11.bash ├── pybinding.bash ├── pyccel-dev.bash ├── pycparser.bash ├── pyfftw.bash ├── pygments.bash ├── pygsl.bash ├── pygtk.bash ├── pymc3.bash ├── pymongo.bash ├── pyqt3d.bash ├── pyqt5.bash ├── pyquante.bash ├── pyquante2.bash ├── pysqlite.bash ├── pytables.bash ├── python-mods.bash ├── pythtb.bash ├── pytorch.bash ├── pytz.bash ├── pywt.bash ├── pyyaml.bash ├── pyzmq.bash ├── quadpy.bash ├── qutip.bash ├── rdkit.bash ├── scikit-image.bash ├── scikit-learn.bash ├── scikit-nano.bash ├── scikit-optimize.bash ├── scipy.bash ├── scons.bash ├── seaborn.bash ├── setuptools.bash ├── sgdml.bash ├── sip.bash ├── sisl-dev.bash ├── sisl.bash ├── slepc4py.bash ├── sphinx.bash ├── statsmodels.bash ├── symengine.bash ├── sympy.bash ├── tensorflow.bash ├── theano.bash ├── tinyarray.bash ├── tornado.bash ├── vtk.bash ├── wxpython.bash ├── xarray.bash └── yt.bash ├── python2.bash ├── python3.bash ├── scripts.bash ├── scripts ├── npa-ml.bash ├── npa-moduleswitch.bash ├── npa-scripts.bash ├── npa-slsf.bash ├── npa-spbs.bash └── npa-sub.bash ├── setup ├── hpc.sh ├── local.sh └── niflheim.sh ├── src ├── auxilliary.bash ├── build.bash ├── compiler.bash ├── default_build.bash ├── globals.bash ├── host.bash ├── init.bash ├── install.bash ├── module.bash ├── package.bash ├── source-generic.sh ├── source-gnu-debug.sh └── source-gnu.sh └── vendor.bash /.gitignore: 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