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Prepare release 0.5.0 - #70
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Align version 0.5.0 across metadata, runtime, citation, README, manual, usage guide and API reference; changelog section 0.5.0 - Unreleased. Update the user manual for 0.5.0: result diagnostics (unmetTargets, targetIonBalance, ammoniumLimit, limitViolations, provenance), chloride consent and the 30-product catalogue, upgrade notes (18 added exports, two keyword-only parameters, recipe changes), with a ninth executed example on Generic Grow's binding ammonium limit. Record release readiness: 373 tests with live PHREEQC and zero skips on Python 3.13.15 and 3.14.0; API compatible with v0.4.0 (103 exports kept, 18 added); isolated wheel/sdist checks and strict Twine checks; resource hashes; benchmark and comparison evidence. Nothing is published.
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Prepares FlahaX 0.5.0. Toward #48. Nothing is published. Publication needs your explicit authorization and then the
v0.5.0GitHub Release, which runs the hardened workflow with its reviewer gate.What 0.5.0 contains (since 0.4.0)
This PR
pyproject.toml,__version__,CITATION.cff, README (install pin and citation), manual, usage guide and API reference. The changelog section is0.5.0 — Unreleased; the date is set at publication, as for 0.4.0.unmetTargets,targetIonBalance,ammoniumLimit,limitViolations,provenance);verify_distribution.pyand the release-hygiene test.Verification
FLAHAX_REQUIRE_PHREEQC=1(pinned PHREEQC 3.8.6), docs built: Python 3.13.15 and 3.14.0v0.4.0twine check --strictpassed;License-Expression: Apache-2.0; no runtime dependencieschemistry_25c.jsonunchanged since 0.3.19bea54aOne thing I caught during the checks: files edited from Python on Windows had been written with CRLF line endings. The repo stores them as LF, so the first candidate build's manual hash would not have matched a build from git. I normalised them to LF and rebuilt; the recorded hashes are the LF ones.
After merge
v0.5.0GitHub Release; the workflow verifies and waits for your approval of thepypideployment.stablebuildsv0.5.0and serves the benchmark pages, which closes Serve benchmark pages on the stable docs version #48.