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{ lib
, buildPythonPackage
, fetchPypi
, numpy
, pyyaml
, matplotlib
, h5py
, scipy
, spglib
, pytestCheckHook
, pythonOlder
, setuptools
}:
buildPythonPackage rec {
pname = "phonopy";
version = "2.21.2";
pyproject = true;
disabled = pythonOlder "3.7";
src = fetchPypi {
inherit pname version;
hash = "sha256-3DCfMI41J/H9RjKj0376NnADp2VzHKnGcvgYoLnluTY=";
};
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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