{ lib, buildPythonPackage, fetchPypi, numpy, pytest, pyyaml }: buildPythonPackage rec { pname = "spglib"; version = "1.16.5"; src = fetchPypi { inherit pname version; sha256 = "sha256-Lqzv1TzGRLqakMRoH9bJNLa92BjBE9fzGZBOB41dq5M="; }; propagatedBuildInputs = [ numpy ]; checkInputs = [ pytest pyyaml ]; # pytestCheckHook doesn't work # ImportError: cannot import name '_spglib' from partially initialized module 'spglib' checkPhase = '' pytest ''; pythonImportsCheck = [ "spglib" ]; meta = with lib; { description = "Python bindings for C library for finding and handling crystal symmetries"; homepage = "https://atztogo.github.io/spglib"; license = licenses.bsd3; maintainers = with maintainers; [ psyanticy ]; }; }