{ stdenv, buildPythonPackage, python, fetchPypi, numpy, pyyaml, matplotlib, h5py }: buildPythonPackage rec { pname = "phonopy"; version = "1.13.2.107"; src = fetchPypi { inherit pname version; sha256 = "72f06728c98b9a7ab3db2d6fa2ae5d029029fbcff4e8fcfbc29f1e2620a0f905"; }; propagatedBuildInputs = [ numpy pyyaml matplotlib h5py ]; checkPhase = '' cd test # dynamic structure factor test ocassionally fails do to roundoff # see issue https://github.com/atztogo/phonopy/issues/79 rm spectrum/test_dynamic_structure_factor.py ${python.interpreter} -m unittest discover -b cd ../.. ''; meta = with stdenv.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 ]; }; }