python3Packages.qcelemental: 0.29.0 -> 0.30.0

This commit is contained in:
Phillip Seeber
2026-01-23 10:33:16 +01:00
parent 611619a771
commit ed2a4997c7
@@ -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";