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echo -e "\n### Cleaning up and making the LUA-module $packageName/$packageID...\n"
# Go to a different directory before cleaning up the build directory
cd $modules_dir
/bin/rm -rf $build_dir
# Create a module file
cat >$packageID.lua <<EOF
help([==[
Description
===========
GPAW $GPAW_version for the UEABS benchmark.
Configuration:
* Parallel GPAW $GPAW_version with ase $ase_version
* Using FFTW for the FFT computations and MKL for the BLAS/Lapack
* Minimal use of system libraries or libraries that are installed
through package managers such as EasyBuild or Spack.
Detailed configuration:
* Compiler module: $compiler_module, used for all packages
* Python dependencies:
* zlib $zlib_version
* ncurses $ncurses_version
* readline $readline_version
* SQLite $sqlite_version
* libffi $libffi_version
* FFTW $fftw_version
* libxc $libxc_version
* Python $python_version
* Important Python packages: numpy-$numpy_version, scipy-$scipy_version, ase-$ase_version, gpaw-$GPAW_version
* Additional Python packages: wheel-$wheel_version, cython-$cython_version
* GPAW setups $GPAWsetups_version
More information
================
- Homepage: http://wiki.fysik.dtu.dk/gpaw
- Documentation:
- GPAW web-based documentation: https://wiki.fysik.dtu.dk/gpaw/
- Version information at https://gitlab.com/gpaw/gpaw/-/blob/$GPAW_version/doc/
- ASE web-based documentation: https://wiki.fysik.dtu.dk/ase/
]==])
whatis([==[Description: GPAW $GPAW_version with ase $ase_version: UEABS benchmark configuration with Python $python_version, numpy-$numpy_version, scipy-$scipy_version, libxc $libxc_version and FFTW $fftw_version.]==])
conflict("GPAW")
conflict("$packageName")
if not ( isloaded("$compiler_module") ) then
load("$compiler_module")
end
if not ( isloaded("$mpi_module") ) then
load("$mpi_module")
end
if not ( isloaded("$math_module") ) then
load("$math_module")
end
prepend_path("PATH", "$install_dir/bin")
prepend_path("LD_LIBRARY_PATH", "$install_dir/lib")
prepend_path("LIBRARY_PATH", "$install_dir/lib")
prepend_path("PYTHONPATH", "$install_dir/lib/python$py_maj_min/site-packages")
setenv("GPAW_SETUP_PATH", "$install_dir/share/gpaw-setups")
EOF