tjh.dev
nixpkgs mirror (for testing)
github.com/NixOS/nixpkgs
nix
1{
2 stdenv,
3 lib,
4 fetchFromGitHub,
5 gfortran,
6 meson,
7 ninja,
8 pkg-config,
9 python3,
10 mctc-lib,
11}:
12
13stdenv.mkDerivation rec {
14 pname = "mstore";
15 version = "0.3.0";
16
17 src = fetchFromGitHub {
18 owner = "grimme-lab";
19 repo = "mstore";
20 rev = "v${version}";
21 hash = "sha256-zfrxdrZ1Um52qTRNGJoqZNQuHhK3xM/mKfk0aBLrcjw=";
22 };
23
24 nativeBuildInputs = [
25 gfortran
26 meson
27 ninja
28 pkg-config
29 python3
30 ];
31
32 buildInputs = [ mctc-lib ];
33
34 outputs = [
35 "out"
36 "dev"
37 ];
38
39 postPatch = ''
40 patchShebangs --build config/install-mod.py
41 '';
42
43 meta = with lib; {
44 description = "Molecular structure store for testing";
45 license = licenses.asl20;
46 homepage = "https://github.com/grimme-lab/mstore";
47 platforms = platforms.linux;
48 maintainers = [ maintainers.sheepforce ];
49 };
50}