Commit ed2a4997 authored by Phillip Seeber's avatar Phillip Seeber
Browse files

python3Packages.qcelemental: 0.29.0 -> 0.30.0

parent 611619a7

pkgs/development/python-modules/qcelemental/default.nix

+9 −4
Original line number Diff line number Diff line
@@ -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";