39 lines
1.2 KiB
Bash
39 lines
1.2 KiB
Bash
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#!/bin/bash
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# ------------------------------------------------------------------------
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# PACKAGE LIST: register all new dependent tools and libs here. Order
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# is important, the first in the list gets installed first
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# ------------------------------------------------------------------------
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tool_list="gcc intel cmake"
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mpi_list="mpich openmpi intelmpi"
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math_list="mkl acml openblas"
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lib_list="fftw libint libxc libgrpp libxsmm cosma scalapack elpa cusolvermp plumed \
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spfft spla ptscotch superlu pexsi quip gsl spglib hdf5 libvdwxc sirius
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libvori libtorch deepmd"
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package_list="${tool_list} ${mpi_list} ${math_list} ${lib_list}"
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# ------------------------------------------------------------------------
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# first set everything to __DONTUSE__
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for ii in ${package_list}; do
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eval with_${ii}="__DONTUSE__"
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done
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# ------------------------------------------------------------------------
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# Work out default settings
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# ------------------------------------------------------------------------
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# tools to turn on by default:
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with_gcc="__SYSTEM__"
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if [ "COMPILER" = intel ]; then
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./install_intel.sh
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elif [ "COMPILER" = llvm ]; then
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./install_llvm.sh
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elif [ "COMPILER" = clang]; then
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./install_llvm.sh
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else
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./install_gcc.sh
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fi
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