nixpkgs/pkgs/by-name/ms/mstore/package.nix

{ stdenv
, lib
, fetchFromGitHub
, gfortran
, meson
, ninja
, pkg-config
, python3
, mctc-lib
}:

stdenv.mkDerivation rec {
  pname = "mstore";
  version = "0.3.0";

  src = fetchFromGitHub {
    owner = "grimme-lab";
    repo = pname;
    rev = "v${version}";
    hash = "sha256-zfrxdrZ1Um52qTRNGJoqZNQuHhK3xM/mKfk0aBLrcjw=";
  };

  nativeBuildInputs = [ gfortran meson ninja pkg-config python3 ];

  buildInputs = [ mctc-lib ];

  outputs = [ "out" "dev" ];

  postPatch = ''
    patchShebangs --build config/install-mod.py
  '';

  meta = with lib; {
    description = "Molecular structure store for testing";
    license = licenses.asl20;
    homepage = "https://github.com/grimme-lab/mstore";
    platforms = platforms.linux;
    maintainers = [ maintainers.sheepforce ];
  };
}