nixpkgs/pkgs/development/libraries/libxc/default.nix

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{ lib, stdenv, fetchFromGitLab, cmake, gfortran, perl }:
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let
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version = "5.1.4";
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in stdenv.mkDerivation {
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pname = "libxc";
inherit version;
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src = fetchFromGitLab {
owner = "libxc";
repo = "libxc";
rev = version;
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sha256 = "0rs6v72zz3jr22r29zxxdk8wdsfv6wid6cx2661974z09dbvbr1f";
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};
buildInputs = [ gfortran ];
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nativeBuildInputs = [ perl cmake ];
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preConfigure = ''
patchShebangs ./
'';
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cmakeFlags = [ "-DENABLE_FORTRAN=ON" "-DBUILD_SHARED_LIBS=ON" ];
preCheck = ''
export LD_LIBRARY_PATH=$(pwd)
'';
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doCheck = true;
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/";
license = licenses.mpl20;
platforms = [ "x86_64-linux" ];
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maintainers = with maintainers; [ markuskowa ];
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};
}