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

   1 { lib
   2 , buildPythonPackage
   3 , fetchFromGitHub
   4 , pythonOlder
   5 , setuptools
   6 , pytestCheckHook
   7 }:
   8
   9 buildPythonPackage rec {
  10   pname = "propka";
  11   version = "3.5.1";
  12   pyproject = true;
  13
  14   disabled = pythonOlder "3.7";
  15
  16   src = fetchFromGitHub {
  17     owner = "jensengroup";
  18     repo = "propka";
  19     rev = "refs/tags/v${version}";
  20     hash = "sha256-EJQqCe4WPOpqsSxxfbTjF0qETpSPYqpixpylweTCjko=";
  21   };
  22
  23   nativeBuildInputs = [
  24     setuptools
  25   ];
  26
  27   nativeCheckInputs = [
  28     pytestCheckHook
  29   ];
  30
  31   pythonImportsCheck = [
  32     "propka"
  33   ];
  34
  35   meta = with lib; {
  36     description = "A predictor of the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure";
  37     mainProgram = "propka3";
  38     homepage = "https://github.com/jensengroup/propka";
  39     changelog = "https://github.com/jensengroup/propka/releases/tag/v${version}";
  40     license = licenses.lgpl21Only;
  41     maintainers = with maintainers; [ natsukium ];
  42   };
  43 }