646b892680
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65 lines
1.2 KiB
Nix
65 lines
1.2 KiB
Nix
{
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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 {
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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 = "libvdwxc";
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rev = "92f4910c6ac88e111db2fb3a518089d0510c53b0";
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sha256 = "1c7pjrvifncbdyngs2bv185imxbcbq64nka8gshhp8n2ns6fids6";
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};
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nativeBuildInputs = [
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autoreconfHook
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gfortran
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];
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buildInputs = [
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mpi
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fftwMpi
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];
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# Required for compilation with gcc-14
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env.NIX_CFLAGS_COMPILE = "-Wno-error=incompatible-pointer-types";
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preConfigure = ''
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mkdir build && cd build
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configureFlagsArray+=(
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--with-mpi=${lib.getDev 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; [
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lgpl3Plus
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bsd3
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];
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homepage = "https://libvdwxc.materialsmodeling.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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