{ buildPythonPackage, lib, fetchPypi, numpy , pydantic, pint, networkx, pytest-runner, pytest-cov, pytest } : buildPythonPackage rec { pname = "qcelemental"; version = "0.21.0"; checkInputs = [ pytest-runner pytest-cov pytest ]; propagatedBuildInputs = [ numpy pydantic pint networkx ]; src = fetchPypi { inherit pname version; sha256 = "1b3c78fxbpnddrm1fnbvv4x2840jcfjg2l5cb5w4p38vzksiv238"; }; doCheck = true; meta = with lib; { description = "Periodic table, physical constants, and molecule parsing for quantum chemistry"; homepage = "http://docs.qcarchive.molssi.org/projects/qcelemental/en/latest/"; license = licenses.bsd3; platforms = platforms.linux; maintainers = [ maintainers.sheepforce ]; }; }