39 lines
941 B
Nix
39 lines
941 B
Nix
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{
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lib,
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buildPythonPackage,
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fetchFromGitHub,
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pythonOlder,
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setuptools,
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pytestCheckHook,
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}:
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buildPythonPackage rec {
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pname = "propka";
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version = "3.5.1";
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pyproject = true;
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disabled = pythonOlder "3.7";
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src = fetchFromGitHub {
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owner = "jensengroup";
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repo = "propka";
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rev = "refs/tags/v${version}";
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hash = "sha256-EJQqCe4WPOpqsSxxfbTjF0qETpSPYqpixpylweTCjko=";
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};
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nativeBuildInputs = [ setuptools ];
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nativeCheckInputs = [ pytestCheckHook ];
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pythonImportsCheck = [ "propka" ];
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meta = with lib; {
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description = "Predictor of the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure";
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mainProgram = "propka3";
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homepage = "https://github.com/jensengroup/propka";
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changelog = "https://github.com/jensengroup/propka/releases/tag/v${version}";
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license = licenses.lgpl21Only;
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maintainers = with maintainers; [ natsukium ];
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};
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}
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