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Description

This PR adds a CITATION.cff file to the repository root so GitHub’s citation widget can automatically generate citations (BibTeX/APA) for GBasis.

This makes the journal citation more visible and easier to export for users, complementing the citation information already present in the README.

Checklist

  • Write a good description of what the PR does.
  • Add tests for each unit of code added (e.g. function, class)
  • Update documentation
  • Squash commits that can be grouped together
  • Rebase onto master

Type of Changes

Type
✅ 📜 Docs

Related

Refs #206

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@marco-2023 marco-2023 left a comment

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Hi @lipikaparida-web, thank you for the PR.

Adding a CITATION.cff file provides citation metadata that GitHub uses to populate the “Cite this repository” menu. However, it does not affect the generated website or Jupyter Book documentation, where the citation information is actually needed.

As a result, this PR is incomplete: the citation should also be surfaced explicitly in the documentation via a rendered reference entry in the website/intro.md file.

@lipikaparida-web
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Hi! Thanks for the review. I’ve now added the citation explicitly to website/intro.md as requested. Please take another look.

Updated citation information for GBasis library, including authors and BibTeX format.
CITATION.cff Outdated
title: "GBasis"
type: software
url: "https://github.com/theochem/gbasis"
license: "BSD-3-Clause"
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GBasis is licensed under the GNU LESSER GENERAL PUBLIC LICENSE

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This is just a small change. I will add it myself

@marco-2023
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Thanks @lipikaparida-web for your PR. It now appears to be ready for merging.

@marco-2023 marco-2023 merged commit 15eabc5 into theochem:master Jan 21, 2026
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@lipikaparida-web
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Thank you so much @marco-2023 for the review and merge! 🙏
Really appreciate the suggestions — learned a lot from the feedback.
Looking forward to contributing more to GBasis.

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2 participants