{ buildPythonPackage, lib, fetchPypi , networkx , numpy , pint , pydantic , pytestCheckHook } : buildPythonPackage rec { pname = "qcelemental"; version = "0.24.0"; src = fetchPypi { inherit pname version; sha256 = "sha256-XcsR89tu26EG5AcXqmndkESLGWZ8eKmTkjaLziosawE="; }; propagatedBuildInputs = [ numpy pydantic pint networkx ]; checkInputs = [ pytestCheckHook ]; 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; maintainers = [ maintainers.sheepforce ]; }; }