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JOSS six-month public development and validation roadmap #4

Description

@D-sudoasd

Objective

Build the public development, validation, research-use, and archival evidence needed for a defensible JOSS submission after the six-month public-development threshold.

Public baseline date: 2026-08-12
Earliest six-calendar-month date: 2027-02-12
Planned final readiness review: 2027-02-15

Software and reproducibility

  • Keep CI green on Python 3.10–3.13, Windows, macOS, Linux, and the headless GUI smoke test.
  • Review and merge dependency updates only after the full matrix passes.
  • Run the monthly reproducibility audit and investigate every discrepancy.
  • Record user-facing bug fixes, scientific-contract changes, and validation improvements in CHANGELOG.md.
  • Maintain deterministic analytic-benchmark and offline-demo evidence bundles.

Independent scientific validation

  • Compare indexed peak positions and systematic absences against at least one independent crystallographic implementation.
  • Compare multiplicities and structure-factor channels for representative cubic, hexagonal, tetragonal, orthorhombic, monoclinic, and triclinic structures.
  • Validate hkl-normal Young's modulus against an independent tensor implementation for multiple crystal symmetries.
  • Document tolerances, software versions, input structures, coordinate-frame assumptions, and discrepancies.
  • Add each accepted validation case to validation_cases/ with a manifest and reusable command.

Real research use

  • Publish at least one complete real-material workflow from chemical-system query to an auditable diffraction-reference bundle.
  • Record how the output informed experimental planning, phase screening, or interpretation without claiming automatic phase identification.
  • Obtain at least one independent installation and use report from a researcher outside the original development workflow.
  • Resolve or document all user-reported installation, data-contract, and scientific-interpretation issues.

Documentation and community

  • Keep README, GUI guide, API guide, scientific contracts, and examples synchronized with released behavior.
  • Record external issues, pull requests, discussions, or validation feedback as public evidence.
  • Review accessibility and first-install experience on a clean Windows research workstation.
  • Confirm author metadata, ORCID, affiliation, acknowledgements, funding, and AI-use disclosure.

Release and submission package

  • Freeze scientific definitions and output schemas for the submission release.
  • Create the final tagged GitHub Release and verify every uploaded SHA-256 value.
  • Archive the tagged release in Zenodo or another long-term repository and obtain a DOI.
  • Update CITATION.cff, paper/paper.md, and release metadata with the archive DOI and final version.
  • Build the manuscript with the Open Journals workflow and inspect the rendered PDF.
  • Run python scripts/joss_readiness.py --output build/joss-readiness and resolve every blocking item.
  • Submit only after the public timeline, real-use evidence, independent validation, community evidence, archive DOI, and manuscript audit are complete.

Evidence rule

Scheduled automation alone does not count as substantive development. Each checked item must link to a public commit, issue, pull request, release, validation bundle, research-use record, or archive record that supports the claim.

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