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40 lines
1.1 KiB
Nix
40 lines
1.1 KiB
Nix
{
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stdenvNoCC, requireFile,
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rsync, blas, scalapack, mpi, openmp, gfortran, gcc, fftwMpi, hdf5, wannier90
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}:
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let
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versions = import ../source.nix;
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vasp = version: stdenvNoCC.mkDerivation rec
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{
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pname = "vasp-gnu";
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inherit version;
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src = requireFile
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{
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name = "vasp-${version}";
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sha256 = versions.${version};
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hashMode = "recursive";
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message = "Source file not found.";
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};
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configurePhase =
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''
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cp ${./makefile.include-${version}} makefile.include
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cp ${../constr_cell_relax.F} src/constr_cell_relax.F
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mkdir -p bin
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'';
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enableParallelBuilding = true;
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makeFlags = "DEPS=1";
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buildInputs = [ blas scalapack mpi openmp fftwMpi.dev fftwMpi hdf5 hdf5.dev wannier90 ];
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nativeBuildInputs = [ rsync gfortran gfortran.cc gcc ];
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FFTW_ROOT = fftwMpi.dev;
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HDF5_ROOT = hdf5.dev;
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WANNIER90_ROOT = wannier90;
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installPhase =
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''
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mkdir -p $out/bin
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for i in std gam ncl; do
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cp bin/vasp_$i $out/bin/vasp-gnu-${version}-$i
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done
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'';
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};
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in builtins.mapAttrs (version: _: vasp version) versions
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