{ lib, stdenv, buildPythonPackage, fetchFromGitHub, # build-system setuptools, # dependencies numpy, scipy, spglib, # tests pytestCheckHook, }: buildPythonPackage rec { pname = "symfc"; version = "1.6.0"; pyproject = true; src = fetchFromGitHub { owner = "symfc"; repo = "symfc"; tag = "v${version}"; hash = "sha256-YDVO1/vt30ZaBOTCaYBtr3fkcuJmPa8Eg72k3XWpacg="; }; build-system = [ setuptools ]; dependencies = [ numpy scipy spglib ]; pythonImportsCheck = [ "symfc" ]; nativeCheckInputs = [ pytestCheckHook ]; disabledTests = lib.optionals (stdenv.hostPlatform.isDarwin && stdenv.hostPlatform.isx86_64) [ # assert (np.float64(0.5555555555555556) == 1.0 ± 1.0e-06 "test_fc_basis_set_o3" ]; meta = { description = "Generate symmetrized force constants"; homepage = "https://github.com/symfc/symfc"; changelog = "https://github.com/symfc/symfc/releases/tag/v${version}"; license = lib.licenses.bsd3; maintainers = with lib.maintainers; [ GaetanLepage ]; }; }