pyrox.dev
1{ lib
2, buildPythonPackage
3, fetchFromGitHub
4, pythonOlder
5, setuptools
6, pytestCheckHook
7}:
8
9buildPythonPackage rec {
10 pname = "propka";
11 version = "3.5.0";
12 format = "setuptools";
13
14 disabled = pythonOlder "3.7";
15
16 src = fetchFromGitHub {
17 owner = "jensengroup";
18 repo = "propka";
19 rev = "refs/tags/v${version}";
20 hash = "sha256-NbvrlapBALGbUyBqdqDcDG/igDf/xqxC35DzVUrbHlo=";
21 };
22
23 propagatedBuildInputs = [
24 setuptools
25 ];
26
27 nativeCheckInputs = [
28 pytestCheckHook
29 ];
30
31 pythonImportsCheck = [
32 "propka"
33 ];
34
35 meta = with lib; {
36 description = "A predictor of the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure";
37 homepage = "https://github.com/jensengroup/propka";
38 changelog = "https://github.com/jensengroup/propka/releases/tag/v${version}";
39 license = licenses.lgpl21Only;
40 maintainers = with maintainers; [ natsukium ];
41 };
42}