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Feat/add python 3.13 support #384

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@AntObi AntObi commented Mar 5, 2025

Add Python 3.13 support for SMACT

Description

Python 3.13 support will require spglib>=2.6.0, see spglib/spglib#544

Type of change

Please delete options that are not relevant.

  • Bug fix (non-breaking change which fixes an issue)
  • New feature (non-breaking change which adds functionality)
  • Breaking change (fix or feature that would cause existing functionality to not work as expected)
  • This change requires a documentation update

How Has This Been Tested?

Please describe the tests that you ran to verify your changes. Provide instructions so we can reproduce. Please also list any relevant details for your test configuration

  • Test A
  • Test B

Test Configuration:

  • Python version:
  • Operating System:

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Checklist

  • My code follows the style guidelines of this project
  • I have performed a self-review of my own code
  • I have commented my code, particularly in hard-to-understand areas
  • I have made corresponding changes to the documentation
  • My changes generate no new warnings
  • I have added tests that prove my fix is effective or that my feature works
  • New and existing unit tests pass locally with my changes
  • Any dependent changes have been merged and published in downstream modules
  • I have checked my code and corrected any misspellings

Summary by CodeRabbit

  • Chores
    • Updated CI configuration to remove the qa job, streamlining the testing process.
    • Expanded testing coverage by adding Python version 3.13 to the testing matrix.

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coderabbitai bot commented Mar 5, 2025

Walkthrough

The pull request updates the CI configuration by removing the qa job, which previously ran on ubuntu-latest and included steps for executing the pre-commit/action@v3.0.1. This change eliminates the dependency on the qa job from the test job. Additionally, the Python version matrix has been updated to include "3.13" alongside the existing versions "3.10", "3.11", and "3.12". No changes have been made to any exported or public entities.

Changes

File Change Summary
.github/workflows/ci.yml Removed the qa job and its dependency from the test job; updated the Python version matrix to include "3.13".

Sequence Diagram(s)

sequenceDiagram
    participant Repo as Repository
    participant CI as CI Runner
    participant PY as Python Environment

    Repo->>CI: Trigger CI Workflow
    CI-->>CI: (Pre-commit step removed)
    CI->>PY: Set up Python environment (version: "3.13")
    PY-->>CI: Environment initialised
    CI->>Repo: Return build/test results
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Poem

I’m a little rabbit with a love for code,
Hopping through workflows down the rabbit road,
The qa job has hopped away,
New Python version joins the fray,
With ears perked up, I watch it flow,
In CI’s garden, watch my code grow! 🐇✨


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📥 Commits

Reviewing files that changed from the base of the PR and between 485105c and 78f6bd5.

📒 Files selected for processing (1)
  • .github/workflows/ci.yml (1 hunks)
🚧 Files skipped from review as they are similar to previous changes (1)
  • .github/workflows/ci.yml
⏰ Context from checks skipped due to timeout of 90000ms (9)
  • GitHub Check: test (3.13, windows-latest)
  • GitHub Check: test (3.12, windows-latest)
  • GitHub Check: test (3.12, macos-latest)
  • GitHub Check: test (3.12, ubuntu-latest)
  • GitHub Check: test (3.11, windows-latest)
  • GitHub Check: test (3.11, ubuntu-latest)
  • GitHub Check: test (3.10, windows-latest)
  • GitHub Check: test (3.10, macos-latest)
  • GitHub Check: test (3.10, ubuntu-latest)

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codecov bot commented Mar 5, 2025

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 78.71%. Comparing base (9ac5a98) to head (78f6bd5).
Report is 1 commits behind head on develop.

Additional details and impacted files
@@             Coverage Diff             @@
##           develop     #384      +/-   ##
===========================================
+ Coverage    78.67%   78.71%   +0.03%     
===========================================
  Files           33       33              
  Lines         2786     2786              
===========================================
+ Hits          2192     2193       +1     
+ Misses         594      593       -1     

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

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Actionable comments posted: 1

📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL
Plan: Pro

📥 Commits

Reviewing files that changed from the base of the PR and between f4e0b0c and 485105c.

📒 Files selected for processing (1)
  • .github/workflows/ci.yml (1 hunks)
⏰ Context from checks skipped due to timeout of 90000ms (9)
  • GitHub Check: test (3.12, windows-latest)
  • GitHub Check: test (3.12, macos-latest)
  • GitHub Check: test (3.12, ubuntu-latest)
  • GitHub Check: test (3.11, windows-latest)
  • GitHub Check: test (3.11, macos-latest)
  • GitHub Check: test (3.11, ubuntu-latest)
  • GitHub Check: test (3.10, windows-latest)
  • GitHub Check: test (3.10, macos-latest)
  • GitHub Check: test (3.10, ubuntu-latest)
🔇 Additional comments (1)
.github/workflows/ci.yml (1)

12-14: Observation: Removal of Pre-commit Action

The CI configuration no longer includes a step that used the pre-commit/action@v3.0.1. Please confirm that this omission is intentional, as removing this step could bypass important pre-commit checks previously enforced in the pipeline.

Comment on lines 20 to 21
python-version: ["3.10", "3.11", "3.12", "3,13"]
os: [ubuntu-latest, macos-latest, windows-latest]
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⚠️ Potential issue

Critical Issue: Incorrect Python Version Entry

The Python version matrix contains a typographical error: "3,13" is used instead of the correct "3.13". This error could lead to failures when setting up the Python environment during CI runs.

Please update the line as follows:

-        python-version: ["3.10", "3.11", "3.12", "3,13"]
+        python-version: ["3.10", "3.11", "3.12", "3.13"]
📝 Committable suggestion

‼️ IMPORTANT
Carefully review the code before committing. Ensure that it accurately replaces the highlighted code, contains no missing lines, and has no issues with indentation. Thoroughly test & benchmark the code to ensure it meets the requirements.

Suggested change
python-version: ["3.10", "3.11", "3.12", "3,13"]
os: [ubuntu-latest, macos-latest, windows-latest]
python-version: ["3.10", "3.11", "3.12", "3.13"]
os: [ubuntu-latest, macos-latest, windows-latest]

@AntObi AntObi changed the title Feat/add python 313 support Feat/add python 3.13 support Mar 5, 2025
@AntObi AntObi added python Pull requests that update Python code github_actions Pull requests that update GitHub Actions code pkg Package Health housekeeping House-Keeping labels Mar 5, 2025
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