52 lines
1.1 KiB
Nix
52 lines
1.1 KiB
Nix
{ stdenv
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, lib
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, fetchFromGitLab
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, gfortran
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, autoreconfHook
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, fftwMpi
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, mpi
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}:
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stdenv.mkDerivation rec {
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pname = "libvdwxc";
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# Stable version has non-working MPI detection.
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version = "unstable-24.02.2020";
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src = fetchFromGitLab {
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owner = "libvdwxc";
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repo = pname;
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rev = "92f4910c6ac88e111db2fb3a518089d0510c53b0";
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sha256 = "1c7pjrvifncbdyngs2bv185imxbcbq64nka8gshhp8n2ns6fids6";
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};
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nativeBuildInputs = [ autoreconfHook gfortran ];
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propagatedBuildInputs = [ mpi fftwMpi ];
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preConfigure = ''
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mkdir build && cd build
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export PATH=$PATH:${mpi}/bin
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configureFlagsArray+=(
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--with-mpi=${mpi}
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CC=mpicc
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FC=mpif90
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MPICC=mpicc
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MPIFC=mpif90
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)
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'';
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configureScript = "../configure";
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hardeningDisable = [ "format" ];
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doCheck = true;
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meta = with lib; {
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description = "Portable C library of density functionals with van der Waals interactions for density functional theory";
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license = with licenses; [ lgpl3Plus bsd3 ];
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homepage = "https://libvdwxc.org/";
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platforms = platforms.unix;
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maintainers = [ maintainers.sheepforce ];
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};
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}
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