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Update pyiron_vasp to 0.2.10#530

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jan-janssen merged 4 commits intomainfrom
pyiron_vasp
Aug 13, 2025
Merged

Update pyiron_vasp to 0.2.10#530
jan-janssen merged 4 commits intomainfrom
pyiron_vasp

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@jan-janssen jan-janssen commented Aug 13, 2025

Summary by CodeRabbit

  • Chores
    • Upgraded the pyiron_vasp dependency to version 0.2.10 across project configurations (documentation, CI, Binder, and optional VASP extras) to align with the latest patch release.
    • Ensures consistent environment setup across user and documentation builds.
    • No changes to user-facing functionality or public APIs.

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coderabbitai bot commented Aug 13, 2025

Walkthrough

Updated pyiron_vasp dependency version from 0.2.9 to 0.2.10 across CI environments, Binder environment, and project optional dependencies. No other dependencies or configurations changed.

Changes

Cohort / File(s) Summary of Changes
CI environments
./.ci_support/environment-docs.yml, ./.ci_support/environment.yml
Bump pyiron_vasp from 0.2.9 to 0.2.10.
Binder environment
./binder/environment.yml
Bump pyiron_vasp from 0.2.9 to 0.2.10.
Project config
./pyproject.toml
Update optional-dependencies (vasp) pyiron_vasp from 0.2.9 to 0.2.10.

Estimated code review effort

🎯 1 (Trivial) | ⏱️ ~3 minutes

Possibly related PRs

Poem

I nudge the dial from nine to ten,
A hop, a bump—then hop again.
In envs and toml, neat and tight,
Versions align, the numbers right.
Little paws, big smiles today—
Ship the change, and bound away! 🐇✨


📜 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 f409c10 and 6842361.

📒 Files selected for processing (4)
  • .ci_support/environment-docs.yml (1 hunks)
  • .ci_support/environment.yml (1 hunks)
  • binder/environment.yml (1 hunks)
  • pyproject.toml (1 hunks)
🔇 Additional comments (4)
.ci_support/environment-docs.yml (1)

22-22: Version bump for pyiron_vasp verified

Confirmed that all references to pyiron_vasp have been updated to 0.2.10 and no occurrences of 0.2.9 remain:

• .ci_support/environment-docs.yml (line 22): pyiron_vasp =0.2.10
• binder/environment.yml (line 19): pyiron_vasp =0.2.10
• pyproject.toml (line 77): "pyiron_vasp==0.2.10"

No further changes required.

.ci_support/environment.yml (1)

18-18: CI env updated to pyiron_vasp 0.2.10 — OK.
Matches other files; minimal risk change.

Given Python support 3.9–3.12 in pyproject, please confirm pyiron_vasp 0.2.10 advertises/maintains the same Python compatibility and works with pinned core deps (ase 3.26.x, numpy 1.26.x, spglib 2.6.0, scipy 1.15.x). If needed, cross-check upstream release notes/changelog for 0.2.10.

pyproject.toml (1)

77-77: Extras validation successful: bump to pyiron_vasp==0.2.10 works

Built both sdist and wheel artifacts and installed the [vasp] extra without errors. The version bump is correct and extras resolution is functional. Approving these changes.

binder/environment.yml (1)

19-19: Binder env aligned to pyiron_vasp 0.2.10 — good.
Consistent with CI and pyproject; should trigger a Binder rebuild.

After merge, rebuild Binder to ensure the new image resolves successfully with conda:

  • Open a Binder session and verify import of the vasp extra: python -c "import pyiron_vasp; print(pyiron_vasp.__version__)".
✨ Finishing Touches
🧪 Generate unit tests
  • Create PR with unit tests
  • Post copyable unit tests in a comment
  • Commit unit tests in branch pyiron_vasp

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@jan-janssen jan-janssen reopened this Aug 13, 2025
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codecov bot commented Aug 13, 2025

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 85.69%. Comparing base (eed6f6a) to head (6842361).
⚠️ Report is 8 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #530   +/-   ##
=======================================
  Coverage   85.69%   85.69%           
=======================================
  Files          43       43           
  Lines        2586     2586           
=======================================
  Hits         2216     2216           
  Misses        370      370           

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

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@jan-janssen jan-janssen merged commit 090b48f into main Aug 13, 2025
51 of 72 checks passed
@jan-janssen jan-janssen deleted the pyiron_vasp branch August 13, 2025 16:08
@coderabbitai coderabbitai bot mentioned this pull request Nov 18, 2025
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