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WalkthroughCI and packaging python version bounds were bumped: GitHub Actions matrices and setup steps updated from Python 3.13 to 3.14, a CI conda environment file updated to 3.14, and pyproject.toml's requires-python upper bound increased from <3.14 to <3.15. Changes
Sequence Diagram(s)(Skipped — changes only update version constraints and do not alter runtime control flow.) Estimated code review effort🎯 2 (Simple) | ⏱️ ~10 minutes Possibly related PRs
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Pre-merge checks and finishing touches✅ Passed checks (3 passed)
✨ Finishing touches🧪 Generate unit tests (beta)
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🧹 Nitpick comments (1)
pyproject.toml (1)
14-26: Add Python 3.14 classifier to reflect support declaration.The
requires-pythonconstraint allows 3.14 (via<3.15), but the classifiers list ends at 3.13. Adding the Python 3.14 classifier ensures package metadata accurately reflects supported versions.Apply this diff to add the classifier:
classifiers = [ "Development Status :: 5 - Production/Stable", "Topic :: Scientific/Engineering :: Physics", "License :: OSI Approved :: BSD License", "Intended Audience :: Science/Research", "Operating System :: OS Independent", "Programming Language :: Python :: 3.9", "Programming Language :: Python :: 3.10", "Programming Language :: Python :: 3.11", "Programming Language :: Python :: 3.12", "Programming Language :: Python :: 3.13", + "Programming Language :: Python :: 3.14", ]
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.github/workflows/pipeline.yml(12 hunks)pyproject.toml(1 hunks)
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.github/workflows/pipeline.yml (1)
58-58: Comprehensive Python 3.14 CI/CD updates look good.Python 3.14 was released on 7 October 2025, and the workflow updates are timely and thorough. The matrix strategy correctly adds 3.14 testing across macOS, Ubuntu, and Windows platforms (lines 160–166), while preserving backwards compatibility testing with older versions (3.13, 3.12, 3.11). Specialized jobs (GPAW, MACE, QE, etc.) all consistently target 3.14.
Also applies to: 89-89, 113-113, 139-139, 160-172, 217-217, 245-245, 271-271, 295-295, 322-322, 371-371, 401-401
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.github/workflows/pipeline.yml (1)
113-113: Minor: Inconsistent quote style for python-version value.Line 113 uses double quotes (
"3.14"), while all other python-version values in the file use single quotes ('3.14'). This is a minor style inconsistency.- name: Setup Mambaforge uses: conda-incubator/setup-miniconda@v3 with: - python-version: "3.14" + python-version: '3.14' miniforge-version: latest channels: conda-forge
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.ci_support/environment-docs.yml(1 hunks).github/workflows/pipeline.yml(8 hunks)
✅ Files skipped from review due to trivial changes (1)
- .ci_support/environment-docs.yml
⏰ Context from checks skipped due to timeout of 90000ms. You can increase the timeout in your CodeRabbit configuration to a maximum of 15 minutes (900000ms). (11)
- GitHub Check: unittest_matrix (ubuntu-latest, 3.11)
- GitHub Check: unittest_qe
- GitHub Check: unittest_matrix (windows-latest, 3.14)
- GitHub Check: unittest_matrix (ubuntu-latest, 3.13)
- GitHub Check: unittest_matrix (ubuntu-latest, 3.14)
- GitHub Check: unittest_matrix (ubuntu-latest, 3.12)
- GitHub Check: unittest_matrix (macos-latest, 3.14)
- GitHub Check: notebooks
- GitHub Check: unittest_gpaw
- GitHub Check: unittest_sphinxdft
- GitHub Check: coverage
🔇 Additional comments (1)
.github/workflows/pipeline.yml (1)
58-58: Comprehensive and systematic Python 3.14 upgrade across CI matrix.The changes consistently bump Python to 3.14 across primary jobs (coverage, minimal, notebooks, pip_check, gpaw, sphinxdft, qe) and expand the unittest_matrix to test 3.14 on three operating systems while maintaining backward compatibility testing (3.13, 3.12, 3.11 on ubuntu). The approach is well-coordinated with pyproject.toml (upper bound <3.15) and aligns with the stated PR objectives.
Jobs pinned to 3.13 (unittest_abinit, unittest_mace, unittest_orb, unittest_siesta) and 3.12 (unittest_grace) suggest intentional constraints, likely due to external tool version requirements.
Can you confirm that Python 3.14 is compatible with the external packages/tools (ABINIT, MACE, ORB, SIESTA) used in the specialized CI jobs? If those tools don't yet support 3.14, leaving those jobs at 3.13 is appropriate; if they do support it, those jobs may want to be upgraded as well for consistency.
Also applies to: 89-89, 113-113, 139-139, 160-160, 163-163, 166-166, 169-169, 172-172, 175-175, 245-245, 271-271, 371-371
Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## main #567 +/- ##
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- Coverage 85.71% 85.46% -0.26%
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Files 43 43
Lines 2591 2545 -46
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- Hits 2221 2175 -46
Misses 370 370 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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