mirror of
https://github.com/CHN-beta/nixos.git
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40 lines
1.0 KiB
Nix
40 lines
1.0 KiB
Nix
{
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stdenvNoCC, requireFile,
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nvhpc, rsync, mkl, lmod, bash, which,
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glibc_multi
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}:
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stdenvNoCC.mkDerivation rec
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{
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pname = "vasp";
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version = "6.4.0";
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# nix-store --query --hash $(nix store add-path ./vasp-6.4.0)
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src = requireFile
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{
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name = "${pname}-${version}";
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sha256 = "189i1l5q33ynmps93p2mwqf5fx7p4l50sls1krqlv8ls14s3m71f";
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hashMode = "recursive";
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message = "Source file not found.";
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};
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makeFlags = "DEPS=1";
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enableParallelBuilding = true;
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buildInputs = [ nvhpc mkl glibc_multi ];
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nativeBuildInputs = [ rsync bash which ];
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MKLROOT = mkl;
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configurePhase =
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''
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cp ${./makefile.include} makefile.include
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. ${lmod}/lmod/lmod/init/bash
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module use ${nvhpc}/share/nvhpc/modulefiles
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module load nvhpc
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# chmod +w makefile.include
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# echo "CPP_OPTIONS += -Duse_shmem -Dshmem_bcast_buffer -Dshmem_rproj" >> makefile.include
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# echo "OBJECTS_LIB += getshmem.o" >> makefile.include
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mkdir -p bin
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'';
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installPhase =
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''
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mkdir -p $out
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cp -r bin $out
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'';
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}
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