diff --git a/pkgs/development/python-modules/qcelemental/default.nix b/pkgs/development/python-modules/qcelemental/default.nix index c0992e982510..0f1aa5cee7a2 100644 --- a/pkgs/development/python-modules/qcelemental/default.nix +++ b/pkgs/development/python-modules/qcelemental/default.nix @@ -1,26 +1,35 @@ -{ buildPythonPackage, lib, fetchPypi, numpy -, pydantic, pint, networkx, pytest-runner, pytest-cov, pytest +{ buildPythonPackage, lib, fetchPypi +, networkx +, numpy +, pint +, pydantic +, pytestCheckHook } : buildPythonPackage rec { pname = "qcelemental"; - version = "0.23.0"; - - checkInputs = [ pytest-runner pytest-cov pytest ]; - propagatedBuildInputs = [ numpy pydantic pint networkx ]; + version = "0.24.0"; src = fetchPypi { inherit pname version; - sha256 = "642bc86ce937621ddfb1291cbff0851be16b26feb5eec562296999e36181cee3"; + 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; - platforms = platforms.linux; maintainers = [ maintainers.sheepforce ]; }; } diff --git a/pkgs/development/python-modules/qcengine/default.nix b/pkgs/development/python-modules/qcengine/default.nix index 81813de356af..29fffb1473be 100644 --- a/pkgs/development/python-modules/qcengine/default.nix +++ b/pkgs/development/python-modules/qcengine/default.nix @@ -1,28 +1,31 @@ -{ buildPythonPackage, lib, fetchPypi, pyyaml, qcelemental, pydantic -, py-cpuinfo, psutil, pytest-runner, pytest, pytest-cov -} : +{ buildPythonPackage +, lib +, fetchPypi +, psutil +, py-cpuinfo +, pydantic +, pyyaml +, qcelemental +, pytestCheckHook +}: buildPythonPackage rec { pname = "qcengine"; - version = "0.20.1"; + version = "0.21.0"; - checkInputs = [ - pytest-runner - pytest-cov - pytest - ]; + checkInputs = [ pytestCheckHook ]; propagatedBuildInputs = [ + psutil + py-cpuinfo + pydantic pyyaml qcelemental - pydantic - py-cpuinfo - psutil ]; src = fetchPypi { inherit pname version; - sha256 = "hZxE7b0bOx/B8Kz4cgBC7wV23OikRxwrdZ4UQ8G/yhg="; + sha256 = "sha256-ZsPKvbaZ7BBZuOmzq12ism/HyWYcLlQHgZaTzmIsMq4="; }; doCheck = true;