Update pymatgen to 2026.7.16

[jan-janssen]

Summary by CodeRabbit

• Chores
  • Updated the pinned pymatgen version across supported environments and optional feature sets.
  • Keeps installations aligned with the latest approved dependency release.

[coderabbitai]

No actionable comments were generated in the recent review. 🎉

ℹ️ Recent review info

⚙️ Run configuration

Configuration used: defaults

Review profile: CHILL

Plan: Pro Plus

Run ID: 86ac8182-3e15-4dba-ad9d-0c26f787c238

📥 Commits

Reviewing files that changed from the base of the PR and between a4f7346 and 0040b33.

📒 Files selected for processing (3)

• .ci_support/environment.yml
• binder/environment.yml
• pyproject.toml

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📝 Walkthrough

Walkthrough

The pull request updates pinned pymatgen versions from 2026.3.23 to 2026.5.4 in two environment definitions and three optional dependency extras.

Changes

pymatgen version update

Layer / File(s)	Summary
Synchronize pymatgen pins .ci_support/environment.yml, binder/environment.yml, pyproject.toml	The environment definitions and the grainboundary, surface, and mp-api extras now require pymatgen version 2026.5.4.

Estimated code review effort: 1 (Trivial) | ~3 minutes

🚥 Pre-merge checks | ✅ 5

✅ Passed checks (5 passed)

Check name	Status	Explanation
Description Check	✅ Passed	Check skipped - CodeRabbit’s high-level summary is enabled.
Title check	✅ Passed	The title identifies the main change, updating pymatgen, but it states version 2026.7.16 while the changes update to 2026.5.4.
Docstring Coverage	✅ Passed	No functions found in the changed files to evaluate docstring coverage. Skipping docstring coverage check.
Linked Issues check	✅ Passed	Check skipped because no linked issues were found for this pull request.
Out of Scope Changes check	✅ Passed	Check skipped because no linked issues were found for this pull request.

✨ Finishing Touches 💡 1

🛠️ Fix failing CI checks 💡

• Create stacked PR
• Commit on current branch

🧪 Generate unit tests (beta)

• Create PR with unit tests
• Commit unit tests in branch pymatgen

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[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 97.90%. Comparing base (a4f7346) to head (0040b33).

Additional details and impacted files

@@           Coverage Diff           @@
##             main     #530   +/-   ##
=======================================
  Coverage   97.90%   97.90%           
=======================================
  Files          29       29           
  Lines        2004     2004           
=======================================
  Hits         1962     1962           
  Misses         42       42           

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