pkgs/development/python-modules/propka/default.nix

   1 {
   2   lib,
   3   buildPythonPackage,
   4   fetchFromGitHub,
   5   pythonOlder,
   6   setuptools,
   7   pytestCheckHook,
   8 }:
   9
  10 buildPythonPackage 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     rev = "refs/tags/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 }