release: prepare v0.1.0a2#22
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Roll-up commit for the second alpha. Bumps the version, adds the CHANGELOG entry, ships the MIT LICENSE text the pyproject already declared, drops the redundant requirements.txt, and tucks internal planning notes under docs/internal/ so the user-facing docs/ tree only carries reference documentation. Highlights covered by [0.1.0a2] (see CHANGELOG.md for full notes): - gecko-light ecModel end-to-end (PR #20). - YAML I/O + typed EcData delegated to raven-python; SBML ecModel I/O removed (PR #19). - ec_fseof re-aligned with raven_python.analysis.fseof (PR #21). - get_conc_control_coeffs solver-state guard fix. - raven-python pin moved from @main to @develop. Repo housekeeping: - LICENSE: MIT text added at repo root (the classifier and the pyproject license field already declared MIT, but no LICENSE file shipped previously — blocks GitHub repo metadata and any future PyPI publish). - requirements.txt: deleted. It was a pip-freeze snapshot duplicating pyproject.toml's declared dependencies; pyproject is the source of truth. - docs/internal/: brenda_refresh_plan, code_review, openkineticspredictor_plan, porting_plan, raven_inventory moved out of the user-facing docs/ tree. Two source-file docstrings updated to point at the new location. - pyproject.toml: version 0.1.0a1 -> 0.1.0a2. Release smoke: - Full pytest suite green: 1259 passed, 1 skipped (network), 1 deselected (smoke), 1 xfailed (documented). - Light tutorial runs end-to-end against ecTestGEM. - Both tutorial scripts compile cleanly. The full tutorial's end-to-end run is exercised piecewise by the unit suite; a live BRENDA + DLKcat + sensitivity-tuning replay was skipped for the release smoke (too long, no signal beyond the unit tests).
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Summary
Roll-up commit for the second public alpha. Bumps the version, adds the CHANGELOG entry, ships the MIT LICENSE text the pyproject already declared, drops the redundant
requirements.txt, and tucks internal planning notes underdocs/internal/so the user-facingdocs/tree only carries reference documentation.What landed in 0.1.0a2 (covered by this entry's CHANGELOG)
EcDatadelegated to raven-python; SBML ecModel I/O removed (#19)ec_fseofre-aligned withraven_python.analysis.fseof(#21)get_conc_control_coeffssolver-state guard fix (bc1a37d)raven-pythonpin moved from@mainto@developHousekeeping in this PR
LICENSEaddedpyproject.tomland the classifier, but no LICENSE text file shipped. Blocks GitHub repo metadata and any future PyPI publish.requirements.txtremovedpip freezesnapshot duplicatingpyproject.toml's declared dependencies. pyproject is the source of truth.docs/internal/createdbrenda_refresh_plan,code_review,openkineticspredictor_plan,porting_plan,raven_inventorymoved out of the user-facingdocs/tree. Two source-file docstrings updated to point at the new location.pyproject.tomlversion0.1.0a1→0.1.0a2Release smoke
Post-merge release steps
mainto develop's tip.v0.1.0a2onmain.main+ tag.v0.1.0a2—.github/workflows/release.ymlbuilds sdist + wheel and attaches them. PyPI publish stays disabled (geckopyname is taken on PyPI).