{ lib , buildPythonPackage , fetchPypi , numpy , pyyaml , matplotlib , h5py , scipy , spglib , pytestCheckHook }: buildPythonPackage rec { pname = "phonopy"; version = "2.11.0"; src = fetchPypi { inherit pname version; sha256 = "2ab47d3eb53a5265f3567974d29760b510b3312217358b76efc27ade9bd1a9f0"; }; propagatedBuildInputs = [ h5py matplotlib numpy pyyaml scipy 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 ]; }; }