docs: unify quick-start examples and fix stale strings#10
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speckhard wants to merge 2 commits intoLeMaterial:mainfrom
Open
docs: unify quick-start examples and fix stale strings#10speckhard wants to merge 2 commits intoLeMaterial:mainfrom
speckhard wants to merge 2 commits intoLeMaterial:mainfrom
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- README install command now references the correct PyPI name (atompack-db) and notes the package imports as `atompack`. - Remove dead link to a release blog post that has no source doc. - Standardize the three Quick Start snippets (top README, atompack-py/README, __init__.py docstring) on the canonical Molecule.from_arrays(...) + Database(path, overwrite=True) form so examples run cleanly when invoked twice. - docs/source/conf.py release bumped to 0.2.1 to match package version. - Stale "PyO3 0.22" comment in atompack-py/src/lib.rs updated to 0.26.
Independent review caught that the type-stub docstrings still showed the pre-PR forms. Bring them into the same shape as the rest of the Quick Start examples.
speckhard
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Summary
atompack-db) and notes the package imports asatompack.Molecule.from_arrays(...)+Database(path, overwrite=True)so examples run cleanly when invoked twice (the previous form raisedFileExistsErroron the second run becauseoverwritedefaults toFalse).docs/source/conf.pyrelease bumped to0.2.1to match the package version.atompack-py/src/lib.rsupdated to0.26.A second commit also unifies the
__init__.pyistub examples (those docstrings are consumed by IDEs and Sphinx autoapi).Test plan
make docsbuilds without warningsmaturin develop --releasebuilds clean, full pytest suite green:Confirms the comment-only Rust edit doesn't break the build and no test regressed on the docs changes.