42 lines
933 B
Nix
42 lines
933 B
Nix
{ 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 = "3.5.0";
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format = "setuptools";
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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${version}";
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hash = "sha256-NbvrlapBALGbUyBqdqDcDG/igDf/xqxC35DzVUrbHlo=";
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};
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propagatedBuildInputs = [
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setuptools
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];
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nativeCheckInputs = [
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pytestCheckHook
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];
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pythonImportsCheck = [
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"propka"
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];
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meta = with lib; {
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description = "A predictor of the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure";
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homepage = "https://github.com/jensengroup/propka";
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changelog = "https://github.com/jensengroup/propka/releases/tag/v${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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