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release: prepare AtomWorks 3.0 - #114

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nscorley merged 33 commits into
release/atomworks-3-0from
ci/public-release-checks
Oct 5, 2026
Merged

nscorley merged 33 commits into
release/atomworks-3-0from
ci/public-release-checks

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@kierandidi

@kierandidi kierandidi commented Oct 4, 2026 •

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Prepare AtomWorks 3.0.0 with GitHub-hosted CI, tag-based releases and the existing Pages deployment.

  • Sync source, tests and packaging exactly with merged dev head 8bd3a44c (#482 and #483), including the insertion-code fix and regression test from fix(io): match residues that share a number under insertion codes #107.
  • Sync documentation, retaining only the public version-switcher URL and branch-based Pages instructions.
  • Download the public test bundle; run scientific tests, docs and clean-wheel checks.
  • Verify package contents and tag/version consistency before publishing through PyPI Trusted Publishing.
  • Keep Pages on gh-pages with peaceiris/actions-gh-pages@v4; preserve published versions and update stable latest without changing repository settings.
  • Includes docs: fix Sphinx warnings for AtomWorks 3.0 #115 documentation fixes. No private files or dev commit ancestry imported by this sync.

Validation on d9b515c: 167 parser/insertion-code/IO tests passed, 2 skipped; 7 release-helper tests passed; Ruff lint and formatting passed; strict Sphinx build passed. Full hosted CI reruns on this push.

Merge this PR into release/atomworks-3-0 after CI passes, then review and merge production release PR #116. #107 and #115 are incorporated and do not need separate merges. No release tag or publication has been performed.

@kierandidi kierandidi changed the title release: prepare AtomWorks 3.0 with public CI and concise docs release: prepare AtomWorks 3.0 Oct 4, 2026
Comment thread .github/tests/test_release.py Outdated
Comment thread src/atomworks/ml/preprocessing/msa/server.py Outdated
Comment thread src/atomworks_cli/filter.py Outdated
Comment thread src/atomworks_cli/find.py Outdated
Comment thread src/atomworks_cli/generate.py Outdated
Comment thread src/atomworks_cli/organize.py Outdated

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few comments

@nscorley nscorley mentioned this pull request Oct 5, 2026
@nscorley
nscorley merged commit 81d58eb into release/atomworks-3-0 Oct 5, 2026
4 of 5 checks passed
@nscorley
nscorley deleted the ci/public-release-checks branch October 5, 2026 02:44
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2 participants