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{
lib,
buildPythonPackage,
fetchPypi,
numpy,
pyyaml,
matplotlib,
h5py,
scipy,
spglib,
pytestCheckHook,
pythonOlder,
setuptools,
}:
buildPythonPackage rec {
pname = "phonopy";
version = "2.24.3";
pyproject = true;
disabled = pythonOlder "3.7";
src = fetchPypi {
inherit pname version;
hash = "sha256-VHtifCC28GKIE+0oz1wMgmZ9G6+rT8nF0PG6tYkhjG8=";
};
nativeBuildInputs = [ setuptools ];
propagatedBuildInputs = [
h5py
matplotlib
numpy
pyyaml
scipy
spglib
];
nativeCheckInputs = [ pytestCheckHook ];
# prevent pytest from importing local directory
preCheck = ''
rm -r phonopy
'';
pythonImportsCheck = [ "phonopy" ];
meta = with lib; {
description = "Modulefor phonon calculations at harmonic and quasi-harmonic levels";
homepage = "https://phonopy.github.io/phonopy/";
changelog = "https://github.com/phonopy/phonopy/blob/v${version}/doc/changelog.md";
license = licenses.bsd0;
maintainers = with maintainers; [ psyanticy ];
};
}
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