Bump version to 4.4.0#110
Conversation
Release carrying the parse_hessian() API, QCData.per_atom_masses, the parse_data route-section fix, and basis-set spelling canonicalization (PR #109). Kinisot 2.1.0 depends on goodvibes >= 4.4.
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📝 WalkthroughWalkthroughThis pull request updates the package version from 4.3.0 to 4.4.0 in both ChangesVersion bump
Estimated code review effort: 1 (Trivial) | ~2 minutes Compact MetadataRelated issues: None specified. Poem A hop, a skip, a version tweak, 🚥 Pre-merge checks | ✅ 5✅ Passed checks (5 passed)
✨ Finishing Touches📝 Generate docstrings
🧪 Generate unit tests (beta)
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Version bump for the release carrying #109 (the
parse_hessian()API,QCData.per_atom_masses, theparse_dataroute-section fix, and basis-set spelling canonicalization).Bumps
4.3.0 -> 4.4.0inpyproject.tomlandgoodvibes/constants.py. No functional changes.Motivation: Kinisot 2.1.0 pins
goodvibes >= 4.4, so a tagged 4.4.0 release on PyPI is what unblocks the Kinisot side. After merging, tagv4.4.0and publish to PyPI.Summary by CodeRabbit