50 lines
828 B
Nix
50 lines
828 B
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 ];
|
|
};
|
|
}
|