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{
lib,
buildPythonPackage,
fetchFromGitHub,
setuptools,
looseversion,
mmtf-python,
numpy,
pandas,
pynose,
pytestCheckHook,
pythonRelaxDepsHook,
}:
buildPythonPackage rec {
pname = "biopandas";
version = "0.5.0";
pyproject = true;
src = fetchFromGitHub {
owner = "BioPandas";
repo = "biopandas";
rev = "refs/tags/v${version}";
hash = "sha256-1c78baBBsDyvAWrNx5mZI/Q75wyXv0DAwAdWm3EwX/I=";
};
nativeBuildInputs = [ pythonRelaxDepsHook ];
pythonRelaxDeps = [ "looseversion" ];
build-system = [ setuptools ];
dependencies = [
numpy
pandas
mmtf-python
looseversion
];
nativeCheckInputs = [
pynose
pytestCheckHook
];
disabledTests = [
# require network access
"test_mmcif_pdb_conversion"
"test_fetch_pdb"
"test_write_mmtf_bp"
"test_write_mmtf"
"test_b_factor_shift"
];
pythonImportsCheck = [ "biopandas" ];
meta = {
description = "Working with molecular structures in pandas DataFrames";
homepage = "https://github.com/BioPandas/biopandas";
changelog = "https://github.com/BioPandas/biopandas/releases/tag/${src.rev}";
license = lib.licenses.bsd3;
maintainers = with lib.maintainers; [ natsukium ];
};
}
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