{ lib, 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 ]; }; }