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{ lib, stdenv, buildPythonPackage, python, fetchPypi, numpy, pyyaml, matplotlib, h5py, spglib, pytestCheckHook }:
buildPythonPackage rec {
pname = "phonopy";
version = "2.8.1";
src = fetchPypi {
inherit pname version;
sha256 = "28864b04adb900597705f1367a100da869af835088bdd13f1693c4382259f128";
};
propagatedBuildInputs = [ numpy pyyaml matplotlib h5py spglib ];
checkInputs = [ pytestCheckHook ];
# flakey due to floating point inaccuracy
disabledTests = [ "test_NaCl" ];
# prevent pytest from importing local directory
preCheck = ''
rm -r phonopy
'';
meta = with lib; {
description = "A package for phonon calculations at harmonic and quasi-harmonic levels";
homepage = "https://atztogo.github.io/phonopy/";
license = licenses.bsd0;
maintainers = with maintainers; [ psyanticy ];
};
}
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