chore: bump version to v4.0.2 and fix archive title mismatch

[KingaMas]

Summary

• Bumps the package version to v4.0.2 for the JOSS-reviewed release ([REVIEW]: SMACT v4: Enhanced Screening and Prediction Tools for Computational Materials Design openjournals/joss-reviews#11015)
• Fixes CITATION.cff and .zenodo.json title, which carried the repo's old generic tagline instead of the JOSS paper title ("SMACT v4: Enhanced Screening and Prediction Tools for Computational Materials Design")
• The v4.0.1 Zenodo archive was created from the commit predating docs: sync .zenodo.json author list with joss/paper.md #673, so it's still missing Masahiro Negishi and most ORCIDs. This retag lets a fresh Zenodo deposit archive the fully corrected metadata (title + all 14 authors + ORCIDs), verified against joss/paper.md with zero mismatches.

Test plan

• uv lock regenerated to reflect the new project version
• Programmatically diffed .zenodo.json/CITATION.cff author names + ORCIDs against joss/paper.md: 0 mismatches
• Confirmed title now matches joss/paper.md exactly in both files

Summary by CodeRabbit

• Documentation
  • Updated the software title and citation metadata to reflect SMACT v4.
  • Updated the published version to 4.0.2.

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ℹ️ Recent review info

⚙️ Run configuration

Configuration used: Repository UI

Review profile: CHILL

Plan: Advanced

Run ID: 5c9847a0-1ca6-419c-bf97-906f9dc873ab

📥 Commits

Reviewing files that changed from the base of the PR and between ab3143d and 2c56ea7.

⛔ Files ignored due to path filters (1)

• uv.lock is excluded by !**/*.lock

📒 Files selected for processing (3)

• .zenodo.json
• CITATION.cff
• pyproject.toml

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Walkthrough

The project version changed from 4.0.1 to 4.0.2. The title in CITATION.cff and .zenodo.json changed to “SMACT v4: Enhanced Screening and Prediction Tools for Computational Materials Design”.

Changes

Release metadata

Layer / File(s)	Summary
Update release identifiers CITATION.cff, pyproject.toml, .zenodo.json	pyproject.toml and CITATION.cff now specify version 4.0.2. CITATION.cff and .zenodo.json use the updated project title.

Priority: ➖ Normal

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

Change: Other

Merge Risk: ⚪ Minimal · up to 2c56e

The release metadata now consistently identifies v4.0.2 and the updated project title, so packaging and citation records refer to the same release. No concrete merge-blocking risk remains.

🚥 Pre-merge checks | ✅ 4 | ❌ 1

❌ Failed checks (1 warning)

Check name	Status	Explanation	Resolution
Description check	⚠️ Warning	The description provides a clear summary, motivation, issue reference, and test plan. It omits the required type-of-change selection, test configuration, reviewers, checklist, and explicit dependency …	Add the missing template sections. Select the applicable change type, provide Python and operating system details, name requested reviewers and their roles, complete the checklist, and state whether dependencies are required.

✅ Passed checks (4 passed)

Check name	Status	Explanation
Title check	✅ Passed	The title clearly summarises both primary changes: the v4.0.2 version bump and the archive title correction.
Docstring Coverage	✅ Passed	No functions found in the changed files to evaluate docstring coverage. Skipping docstring coverage check. Docstring coverage is scoped to functions touched by this diff. Analyzed 0 functions across 0…
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.

Full details: Description check

Explanation

The description provides a clear summary, motivation, issue reference, and test plan. It omits the required type-of-change selection, test configuration, reviewers, checklist, and explicit dependency information.

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_{A rabbit checks the title line,
Then spots the version, neat and fine.
“Four point zero point two,” it reads,
And hops through metadata at speed.
The citation wears its new design.}

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[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 89.41%. Comparing base (ab3143d) to head (2c56ea7).

Additional details and impacted files

@@           Coverage Diff           @@
##           master     #674   +/-   ##
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  Coverage   89.41%   89.41%           
=======================================
  Files          50       50           
  Lines        5072     5072           
=======================================
  Hits         4535     4535           
  Misses        537      537           

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