tjh.dev
1{ lib, stdenv, fetchFromGitLab, cmake, gfortran, perl }:
2
3stdenv.mkDerivation rec {
4 pname = "libxc";
5 version = "6.1.0";
6
7 src = fetchFromGitLab {
8 owner = "libxc";
9 repo = "libxc";
10 rev = version;
11 hash = "sha256-PqKqZbL9Y7lKu7tKo+DfAhoEeFSsYWEcwiFX41VhRIs=";
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}