Build docs with Python 3.13

[jan-janssen]

Summary by CodeRabbit

• Chores
  • Updated Python version requirement to 3.13

[coderabbitai]

Walkthrough

Adds a Python 3.13 version pin to the CI documentation environment configuration file by introducing python=3.13 in the dependencies section of .ci_support/environment-docs.yml.

Changes

Cohort / File(s)	Change Summary
CI Documentation Environment Configuration \.ci_support/environment-docs\.yml	Added python=3.13 to dependency specifications, pinning the Python version for documentation builds

Estimated code review effort

🎯 1 (Trivial) | ⏱️ ~2 minutes

Possibly related PRs

• Test with python 3.13 #561: Updates project configuration to target Python 3.13 across multiple configuration files, including CI matrix and project metadata, aligning with this PR's Python version bump.

Poem

🐰 A version pin, so clean and bright,
Python three-thirteen, set just right!
In .ci_support it finds its place,
Documentation builds at proper pace. ✨

Pre-merge checks and finishing touches

✅ Passed checks (3 passed)

Check name	Status	Explanation
Description Check	✅ Passed	Check skipped - CodeRabbit’s high-level summary is enabled.
Title Check	✅ Passed	The pull request title "Build docs with Python 3.13" directly corresponds to the main change in the changeset, which adds a Python version pin (python =3.13) to the .ci_support/environment-docs.yml file. The title is concise, clear, and specific—it accurately communicates that the documentation build environment is being updated to use Python 3.13. The title avoids vague terminology and provides meaningful context for someone scanning the commit history.
Docstring Coverage	✅ Passed	No functions found in the changes. Docstring coverage check skipped.

✨ Finishing touches

🧪 Generate unit tests (beta)

• Create PR with unit tests
• Post copyable unit tests in a comment
• Commit unit tests in branch docs

---

📜 Recent review details

Configuration used: CodeRabbit UI

Review profile: CHILL

Plan: Pro

📥 Commits

Reviewing files that changed from the base of the PR and between e0a0414 and 4c33bb6.

📒 Files selected for processing (1)

• .ci_support/environment-docs.yml (1 hunks)

⏰ 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). (14)

• GitHub Check: unittest_matrix (ubuntu-latest, 3.13)
• GitHub Check: unittest_matrix (ubuntu-latest, 3.12)
• GitHub Check: unittest_matrix (ubuntu-latest, 3.11)
• GitHub Check: unittest_matrix (macos-latest, 3.13)
• GitHub Check: unittest_siesta
• GitHub Check: unittest_grace
• GitHub Check: unittest_matrix (windows-latest, 3.13)
• GitHub Check: unittest_sphinxdft
• GitHub Check: unittest_old
• GitHub Check: unittest_mace
• GitHub Check: unittest_qe
• GitHub Check: unittest_gpaw
• GitHub Check: coverage
• GitHub Check: notebooks

🔇 Additional comments (1)

.ci_support/environment-docs.yml (1)

4-4: Verify Python 3.13 compatibility with pinned package versions.

The syntax for the Python version constraint is correct. However, Python 3.13 is very recent, and some dependencies—particularly those with compiled extensions like LAMMPS, ASE, spglib, and phonopy—may have compatibility issues or may not have pre-built wheels for Python 3.13.

Please verify that:

1. The CI pipeline passes successfully with this configuration
2. All pinned versions (especially lammps =2024.08.29, ase =3.26.0, phonopy =2.43.2, and spglib =2.6.0) have Python 3.13 support on conda-forge

If this configuration has not yet been tested in CI, I recommend running a test build before merging to ensure the documentation builds complete without errors or warnings related to Python 3.13 incompatibilities.

---

Thanks for using CodeRabbit! It's free for OSS, and your support helps us grow. If you like it, consider giving us a shout-out.

❤️ Share

• X
• Mastodon
• Reddit
• LinkedIn

_{Comment @coderabbitai help to get the list of available commands and usage tips.}

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 85.71%. Comparing base (ebe57cd) to head (4c33bb6).
⚠️ Report is 5 commits behind head on main.

Additional details and impacted files

@@           Coverage Diff           @@
##             main     #568   +/-   ##
=======================================
  Coverage   85.71%   85.71%           
=======================================
  Files          43       43           
  Lines        2591     2591           
=======================================
  Hits         2221     2221           
  Misses        370      370           

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

🚀 New features to boost your workflow:

• ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.