mirror of
https://github.com/NixOS/nixpkgs.git
synced 2024-12-29 17:14:33 +00:00
41 lines
809 B
Nix
41 lines
809 B
Nix
{ buildPythonPackage
|
|
, lib
|
|
, fetchPypi
|
|
, psutil
|
|
, py-cpuinfo
|
|
, pydantic
|
|
, pyyaml
|
|
, qcelemental
|
|
, pytestCheckHook
|
|
}:
|
|
|
|
buildPythonPackage rec {
|
|
pname = "qcengine";
|
|
version = "0.22.0";
|
|
|
|
checkInputs = [ pytestCheckHook ];
|
|
|
|
propagatedBuildInputs = [
|
|
psutil
|
|
py-cpuinfo
|
|
pydantic
|
|
pyyaml
|
|
qcelemental
|
|
];
|
|
|
|
src = fetchPypi {
|
|
inherit pname version;
|
|
sha256 = "685a08247b561ed1c7a7b42e68293f90b412e83556626304a3f826a15be51308";
|
|
};
|
|
|
|
doCheck = true;
|
|
|
|
meta = with lib; {
|
|
description = "Quantum chemistry program executor and IO standardizer (QCSchema) for quantum chemistry";
|
|
homepage = "http://docs.qcarchive.molssi.org/projects/qcelemental/en/latest/";
|
|
license = licenses.bsd3;
|
|
platforms = [ "x86_64-linux" ];
|
|
maintainers = [ maintainers.sheepforce ];
|
|
};
|
|
}
|