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@CompRhys CompRhys commented Jul 25, 2025

Address #220

Summary by CodeRabbit

  • Chores
    • Simplified and reformatted the citation metadata for improved clarity and consistency.
    • Updated dependency version specifications to exact version pinning for improved reproducibility.

Signed-off-by: Rhys Goodall <[email protected]>
@cla-bot cla-bot bot added the cla-signed Contributor license agreement signed label Jul 25, 2025
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coderabbitai bot commented Jul 25, 2025

Walkthrough

The citation metadata was updated by removing the doi and version fields and adjusting the title formatting. Additionally, the version specification for the pymatviz dependency was changed from a minimum version requirement to exact version pinning in three scripts.

Changes

File(s) Change Summary
citation.cff Removed doi and version fields; changed title from "Torch-Sim" to "TorchSim"; reordered type field.
docs/_static/draw_pkg_treemap.py, Changed pymatviz dependency version from >=0.16.0 to ==0.16.0 in header comments.
examples/scripts/6_Phonons/6.1_Phonons_MACE.py, Changed pymatviz dependency version from >=0.16 to ==0.16 in header comments.
examples/scripts/6_Phonons/6.2_QuasiHarmonic_MACE.py Changed pymatviz dependency version from >=0.16 to ==0.16 in header comments.

Estimated code review effort

🎯 1 (Trivial) | ⏱️ ~3 minutes

Poem

A title refined, no hyphen in sight,
Versions pinned tight, dependencies right.
Metadata trimmed, dependencies aligned,
A rabbit hops forward, with changes well-timed.
🐇📚✨

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📒 Files selected for processing (4)
  • citation.cff (2 hunks)
  • docs/_static/draw_pkg_treemap.py (1 hunks)
  • examples/scripts/6_Phonons/6.1_Phonons_MACE.py (1 hunks)
  • examples/scripts/6_Phonons/6.2_QuasiHarmonic_MACE.py (1 hunks)
✅ Files skipped from review due to trivial changes (3)
  • docs/_static/draw_pkg_treemap.py
  • examples/scripts/6_Phonons/6.1_Phonons_MACE.py
  • examples/scripts/6_Phonons/6.2_QuasiHarmonic_MACE.py
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  • citation.cff
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Actionable comments posted: 1

🧹 Nitpick comments (1)
citation.cff (1)

2-2: Minor wording nitpick in the message string.

“To cite this software, please use the following:” is a bit clearer than “as below.”
No functional impact; update only if you tweak the file again.

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Reviewing files that changed from the base of the PR and between 6c79893 and a2c5910.

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  • citation.cff (2 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). (30)
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🔇 Additional comments (1)
citation.cff (1)

16-16: Verify the lowercase change in title.

Switching from “Torch-Sim” to “torch-sim” may affect automated citation formatting (APA, IEEE usually title-case software names). Confirm this aligns with branding guidelines before merging.

citation.cff Outdated
Comment on lines 16 to 18
title: "torch-sim"
date-released: 2025-04-02
url: "https://github.com/Radical-AI/torch-sim"
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🛠️ Refactor suggestion

Consider restoring the software version (and optionally doi / license) fields.

Many reference managers and services (Zenodo, GitHub’s citation UI, etc.) rely on the version key to disambiguate releases and produce correct BibTeX entries. Dropping it means users will see “n/a” for version or will have to edit the record manually.
If the intent was to slim the file, you can still keep a single, semver-style version without adding noise.

Example patch:

 title: "torch-sim"
 date-released: 2025-04-02
+version: "0.8.1"              # ← align with the latest tag
+doi: "10.5281/zenodo.1234567" # ← if you have a Zenodo upload
 url: "https://github.com/Radical-AI/torch-sim"
📝 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
title: "torch-sim"
date-released: 2025-04-02
url: "https://github.com/Radical-AI/torch-sim"
title: "torch-sim"
date-released: 2025-04-02
version: "0.8.1" # ← align with the latest tag
doi: "10.5281/zenodo.1234567" # ← if you have a Zenodo upload
url: "https://github.com/Radical-AI/torch-sim"
🤖 Prompt for AI Agents
In citation.cff around lines 16 to 18, the software `version` field is missing,
which is important for reference managers to correctly identify releases. Add a
`version` field with a semver-style value to the file. Optionally, also add
`doi` and `license` fields if available to improve citation accuracy and
completeness.

@CompRhys CompRhys linked an issue Jul 25, 2025 that may be closed by this pull request
@CompRhys CompRhys merged commit c0e3137 into main Jul 25, 2025
93 checks passed
@CompRhys CompRhys deleted the CompRhys-patch-1 branch July 25, 2025 03:16
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Wrong DOI in citation.cff
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