{ lib, buildPythonPackage, fetchPypi, numpy, pyyaml, matplotlib, h5py, scipy, spglib, pytestCheckHook, pythonOlder, setuptools, }: buildPythonPackage rec { pname = "phonopy"; version = "2.23.1"; pyproject = true; disabled = pythonOlder "3.7"; src = fetchPypi { inherit pname version; hash = "sha256-xJohROJNAPdEITtM/VncAYL8ASkfgThKy8XXnqiS3hU="; }; nativeBuildInputs = [ setuptools ]; propagatedBuildInputs = [ h5py matplotlib numpy pyyaml scipy spglib ]; nativeCheckInputs = [ pytestCheckHook ]; # prevent pytest from importing local directory preCheck = '' rm -r phonopy ''; pythonImportsCheck = [ "phonopy" ]; meta = with lib; { description = "Modulefor phonon calculations at harmonic and quasi-harmonic levels"; homepage = "https://phonopy.github.io/phonopy/"; changelog = "https://github.com/phonopy/phonopy/blob/v${version}/doc/changelog.md"; license = licenses.bsd0; maintainers = with maintainers; [ psyanticy ]; }; }