tjh.dev
nixpkgs mirror (for testing)
github.com/NixOS/nixpkgs
nix
1{ lib, stdenv, fetchFromGitLab, cmake, gfortran, perl }:
2
3stdenv.mkDerivation rec {
4 pname = "libxc";
5 version = "5.2.2";
6
7 src = fetchFromGitLab {
8 owner = "libxc";
9 repo = "libxc";
10 rev = version;
11 sha256 = "113sk7hxjpfbz3nrgjsc7bi6zrlwb3qq5s6h0zh37hz9bd1brq54";
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 # needed for tests to link
24 "-DCMAKE_SKIP_BUILD_RPATH=OFF"
25 # Force compilation of higher derivatives
26 "-DDISABLE_VXC=0"
27 "-DDISABLE_FXC=0"
28 "-DDISABLE_KXC=0"
29 "-DDISABLE_LXC=0"
30 ];
31
32 doCheck = true;
33
34 meta = with lib; {
35 description = "Library of exchange-correlation functionals for density-functional theory";
36 homepage = "https://www.tddft.org/programs/Libxc/";
37 license = licenses.mpl20;
38 platforms = platforms.unix;
39 maintainers = with maintainers; [ markuskowa ];
40 };
41}