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build_20.10.0_Python39_FFTW_icc.JSC.sh 30.3 KiB
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    - 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