pkgs/development/libraries/libxc/default.nix

   1 { lib, stdenv, fetchFromGitLab, cmake, gfortran, perl }:
   2
   3 stdenv.mkDerivation rec {
   4   pname = "libxc";
   5   version = "6.0.0";
   6
   7   src = fetchFromGitLab {
   8     owner = "libxc";
   9     repo = "libxc";
  10     rev = version;
  11     hash = "sha256-g1BjqzSVauDrzxIqqU2kLl6RFs6/oe2VthtndbnJQCc=";
  12   };
  13
  14   nativeBuildInputs = [ perl cmake gfortran ];
  15
  16   preConfigure = ''
  17     patchShebangs ./
  18   '';
  19
  20   cmakeFlags = [
  21     "-DENABLE_FORTRAN=ON"
  22     "-DBUILD_SHARED_LIBS=ON"
  23     # Force compilation of higher derivatives
  24     "-DDISABLE_VXC=0"
  25     "-DDISABLE_FXC=0"
  26     "-DDISABLE_KXC=0"
  27     "-DDISABLE_LXC=0"
  28   ];
  29
  30   doCheck = true;
  31
  32   meta = with lib; {
  33     description = "Library of exchange-correlation functionals for density-functional theory";
  34     homepage = "https://www.tddft.org/programs/Libxc/";
  35     license = licenses.mpl20;
  36     platforms = platforms.unix;
  37     maintainers = with maintainers; [ markuskowa ];
  38   };
  39 }