pkgs/by-name/xc/xcfun/package.nix

   1 {
   2   stdenv,
   3   lib,
   4   fetchFromGitHub,
   5   cmake,
   6   gfortran,
   7   python3,
   8 }:
   9
  10 stdenv.mkDerivation rec {
  11   pname = "xcfun";
  12   version = "2.1.1";
  13
  14   src = fetchFromGitHub {
  15     owner = "dftlibs";
  16     repo = pname;
  17     rev = "v${version}";
  18     sha256 = "1bj70cnhbh6ziy02x988wwl7cbwaq17ld7qwhswqkgnnx8rpgxid";
  19   };
  20
  21   nativeBuildInputs = [
  22     cmake
  23     gfortran
  24   ];
  25
  26   propagatedBuildInputs = [ (python3.withPackages (p: with p; [ pybind11 ])) ];
  27
  28   cmakeFlags = [ "-DXCFUN_MAX_ORDER=3" ];
  29
  30   meta = with lib; {
  31     description = "Library of exchange-correlation functionals with arbitrary-order derivatives";
  32     homepage = "https://github.com/dftlibs/xcfun";
  33     license = licenses.mpl20;
  34     platforms = platforms.unix;
  35     maintainers = [ maintainers.sheepforce ];
  36   };
  37 }