33afbf39f6
checkInputs used to be added to nativeBuildInputs. Now we have nativeCheckInputs to do that instead. Doing this treewide change allows to keep hashes identical to before the introduction of nativeCheckInputs.
48 lines
860 B
Nix
48 lines
860 B
Nix
{ stdenv
|
|
, buildPythonPackage
|
|
, lib
|
|
, fetchPypi
|
|
, networkx
|
|
, numpy
|
|
, pint
|
|
, pydantic
|
|
, pytestCheckHook
|
|
, pythonOlder
|
|
}:
|
|
|
|
buildPythonPackage rec {
|
|
pname = "qcelemental";
|
|
version = "0.25.1";
|
|
format = "setuptools";
|
|
|
|
disabled = pythonOlder "3.7";
|
|
|
|
src = fetchPypi {
|
|
inherit pname version;
|
|
hash = "sha256-4+DlP+BH0UdWcYRBBApdc3E18L2zPvsdY6GTW5WCGnQ=";
|
|
};
|
|
|
|
propagatedBuildInputs = [
|
|
networkx
|
|
numpy
|
|
pint
|
|
pydantic
|
|
];
|
|
|
|
nativeCheckInputs = [
|
|
pytestCheckHook
|
|
];
|
|
|
|
pythonImportsCheck = [
|
|
"qcelemental"
|
|
];
|
|
|
|
meta = with lib; {
|
|
broken = stdenv.isDarwin;
|
|
description = "Periodic table, physical constants and molecule parsing for quantum chemistry";
|
|
homepage = "http://docs.qcarchive.molssi.org/projects/qcelemental/";
|
|
license = licenses.bsd3;
|
|
maintainers = with maintainers; [ sheepforce ];
|
|
};
|
|
}
|