40 lines
903 B
Nix
40 lines
903 B
Nix
{ lib, stdenv, fetchFromGitLab, cmake, gfortran, perl }:
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stdenv.mkDerivation rec {
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pname = "libxc";
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version = "6.1.0";
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src = fetchFromGitLab {
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owner = "libxc";
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repo = "libxc";
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rev = version;
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hash = "sha256-PqKqZbL9Y7lKu7tKo+DfAhoEeFSsYWEcwiFX41VhRIs=";
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};
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nativeBuildInputs = [ perl cmake gfortran ];
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preConfigure = ''
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patchShebangs ./
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'';
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cmakeFlags = [
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"-DENABLE_FORTRAN=ON"
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"-DBUILD_SHARED_LIBS=ON"
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# Force compilation of higher derivatives
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"-DDISABLE_VXC=0"
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"-DDISABLE_FXC=0"
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"-DDISABLE_KXC=0"
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"-DDISABLE_LXC=0"
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];
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doCheck = true;
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meta = with lib; {
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description = "Library of exchange-correlation functionals for density-functional theory";
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homepage = "https://www.tddft.org/programs/Libxc/";
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license = licenses.mpl20;
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platforms = platforms.unix;
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maintainers = with maintainers; [ markuskowa ];
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};
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}
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