pyrox.dev
1{
2 lib,
3 buildPythonPackage,
4 fetchFromGitHub,
5 pythonOlder,
6 setuptools,
7 pytestCheckHook,
8}:
9
10buildPythonPackage rec {
11 pname = "propka";
12 version = "3.5.1";
13 pyproject = true;
14
15 disabled = pythonOlder "3.7";
16
17 src = fetchFromGitHub {
18 owner = "jensengroup";
19 repo = "propka";
20 tag = "v${version}";
21 hash = "sha256-EJQqCe4WPOpqsSxxfbTjF0qETpSPYqpixpylweTCjko=";
22 };
23
24 nativeBuildInputs = [ setuptools ];
25
26 nativeCheckInputs = [ pytestCheckHook ];
27
28 pythonImportsCheck = [ "propka" ];
29
30 meta = with lib; {
31 description = "Predictor of the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure";
32 mainProgram = "propka3";
33 homepage = "https://github.com/jensengroup/propka";
34 changelog = "https://github.com/jensengroup/propka/releases/tag/v${version}";
35 license = licenses.lgpl21Only;
36 maintainers = with maintainers; [ natsukium ];
37 };
38}