{ lib , buildPythonPackage , fetchPypi , numpy , pyyaml , matplotlib , h5py , spglib , pytestCheckHook }: buildPythonPackage rec { pname = "phonopy"; version = "2.9.1"; src = fetchPypi { inherit pname version; sha256 = "1jaizhkb59ixknvc75nrhfq51bh75912q8ay36bxpf4g5hzyhw3a"; }; propagatedBuildInputs = [ numpy pyyaml matplotlib h5py spglib ]; checkInputs = [ pytestCheckHook ]; # 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 ]; }; }