8000 Package identity and attribution: author, Beta, Python 3.14, full data credits, CITATION references by rafatahmed · Pull Request #116 · rafatahmed/Flahax · GitHub
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Package identity and attribution: author, Beta, Python 3.14, full data credits, CITATION references - #116

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rafatahmed merged 2 commits into
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chore/package-identity
Oct 23, 2026
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Package identity and attribution: author, Beta, Python 3.14, full data credits, CITATION references#116
rafatahmed merged 2 commits into
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chore/package-identity

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@rafatahmed rafatahmed commented Oct 23, 2026
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Owner

Owner decisions 2026-10-23: author email public, Flaha listed as organisation, Beta with 0.6.0, Zenodo DOI (owner has switched the repository ON).

Package metadata (pyproject.toml)

  • Author Rafat A. Al Khashan (rafat.khashan82@gmail.com); maintainers Rafat A. Al Khashan and Flaha.
  • Description names the grower command and the A/B stock planning; keywords add agronomy, stock solution, A/B tanks, pH, acid dosing, water analysis, speciation, PHREEQC.
  • Classifiers: Development Status 4 - Beta; Environment :: Console; End Users/Desktop; Natural Language :: English; Python 3.14 and 3 :: Only.
  • Links: Changelog, Citation, Growers guide.
  • Python 3.14 added to the CI matrices (test and publish); local runs are on 3.14.

Attribution (NOTICE, README, CITATION.cff)

  • NOTICE credits every data source the package ships: USGS PHREEQC 3.8.6 (minteq.v4.dat; kieserite and sylvite from pitzer.dat), FlahaX chelate and phase extensions (Ronteltap et al. 2007, Yunta et al. 2003, Smith & Martell / NIST SRD 46), McCleskey et al. 2012, Pethybridge et al. 2006, CRC Handbook, Yara, U.S. Coast Guard CHRIS, Haifa, Sigma-Aldrich, ChemicalBook, SQM, and the crop-formula authors; trademarks noted.
  • Licence compliance: the USGS User Rights Notice covers PHREEQC data and requires that modified data state what changed, by whom and when. NOTICE now reproduces it in full with a MODIFICATIONS statement, and chemistry_25c.json carries a notice field (added through tools/build_chemistry_model.py so a rebuild reproduces it; constants unchanged). The sylvite constant (pitzer.dat) was previously uncited; verified against the installed PHREEQC 3.8.6.
  • CITATION.cff: current abstract, date-released 2026-10-20, affiliation and contact, and a references list; every title, author list and DOI verified against Crossref (three titles written from memory in the first draft were wrong and are corrected). Validated with cffconvert 2.0.0 (schema 1.2.0).
  • README: new 'Author and credits' section.

Guard

tests/test_attribution.py fails if any shipped data file cites a source NOTICE does not credit, if the USGS notice or the modification statement is missing, or if the metadata loses the author, Flaha or NOTICE.

Zenodo

Publishing procedure gains the setup step (done by the owner) and the follow-up: after the first archived release, add the concept DOI to CITATION.cff and the README.

529 tests with live PHREEQC required; tools/verify_distribution.py PASS; strict Sphinx build; LF.

@rafatahmed rafatahmed self-assigned this Oct 23, 2026
@rafatahmed
rafatahmed merged commit 4e7442f into main Oct 23, 2026
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@rafatahmed
rafatahmed deleted the chore/package-identity branch October 23, 2026 02:37
rafatahmed added a commit that referenced this pull request Nov 7, 2026
@rafatahmed
Merge pull request #116 from rafatahmed/chore/package-identity
8efea42 
Package identity and attribution: author, Beta, Python 3.14, full data credits, CITATION references
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