{ lib , buildPythonPackage , fetchPypi , numpy , pyyaml , matplotlib , h5py , scipy , spglib , pytestCheckHook }: buildPythonPackage rec { pname = "phonopy"; version = "2.13.1"; src = fetchPypi { inherit pname version; sha256 = "sha256-D7pBtcMbxMpt4XJVYDkslRDU4Uyk83AtbIIztUbji6A="; }; 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 ]; }; }