diff --git a/pkgs/development/python-modules/qcelemental/default.nix b/pkgs/development/python-modules/qcelemental/default.nix index 55c3c9a108a8..92dfd2ec696b 100644 --- a/pkgs/development/python-modules/qcelemental/default.nix +++ b/pkgs/development/python-modules/qcelemental/default.nix @@ -2,8 +2,10 @@ stdenv, buildPythonPackage, lib, + pythonAtLeast, fetchPypi, poetry-core, + setuptools, ipykernel, networkx, numpy, @@ -16,15 +18,18 @@ buildPythonPackage rec { pname = "qcelemental"; - version = "0.29.0"; + version = "0.30.0"; pyproject = true; src = fetchPypi { inherit pname version; - hash = "sha256-v2NO5lLn2V6QbikZiVEyJCM7HXBcJq/qyG5FHzFrPAQ="; + hash = "sha256-nIW38ReKgE1FA0r55TOOsAOlvtAV3fIQexTsyqx4r4g="; }; - build-system = [ poetry-core ]; + build-system = [ + poetry-core + setuptools + ]; dependencies = [ numpy @@ -49,7 +54,7 @@ buildPythonPackage rec { pythonImportsCheck = [ "qcelemental" ]; meta = { - broken = stdenv.hostPlatform.isDarwin; + broken = stdenv.hostPlatform.isDarwin || pythonAtLeast "3.14"; # https://github.com/MolSSI/QCElemental/issues/375 description = "Periodic table, physical constants and molecule parsing for quantum chemistry"; homepage = "https://github.com/MolSSI/QCElemental"; changelog = "https://github.com/MolSSI/QCElemental/blob/v${version}/docs/changelog.rst"; diff --git a/pkgs/development/python-modules/qcengine/default.nix b/pkgs/development/python-modules/qcengine/default.nix index 4a83cd6af40c..e8fe59a5878a 100644 --- a/pkgs/development/python-modules/qcengine/default.nix +++ b/pkgs/development/python-modules/qcengine/default.nix @@ -2,6 +2,7 @@ lib, buildPythonPackage, fetchPypi, + pythonAtLeast, ipykernel, msgpack, networkx, @@ -19,12 +20,12 @@ buildPythonPackage rec { pname = "qcengine"; - version = "0.33.0"; + version = "0.34.0"; pyproject = true; src = fetchPypi { inherit pname version; - hash = "sha256-Ute8puO2qc679ttZgzQRnVO8OuBmYnqLT3y7faHpRgA="; + hash = "sha256-VKULy45bYn5TmxU7TbOVK98r0pRMWAwissmgx0Ee/8w="; }; build-system = [ setuptools ]; @@ -60,5 +61,6 @@ buildPythonPackage rec { license = lib.licenses.bsd3; maintainers = with lib.maintainers; [ sheepforce ]; mainProgram = "qcengine"; + broken = pythonAtLeast "3.14"; # https://github.com/MolSSI/QCEngine/issues/481 }; }