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docs: name every fixture source with its licence - #39

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Paullo9 merged 2 commits into
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issue-17-fixture-licences
Oct 31, 2026
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Paullo9 merged 2 commits into
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issue-17-fixture-licences

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@Paullo9 Paullo9 commented Oct 30, 2026

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Requested by Paul · project thread

Part of #17

#28 did NOTICE provenance, the Materials Project and orix credits, the licence id, the README, CITATION and the CHANGELOG form. This PR finishes the fixture licences: NOTICE and the fixture README now name every third-party fixture source with its licence, each checked at the source.

What changed

  • NOTICE, new section "Test fixtures: every source and its licence":
    • CIFs: from the mac4DSTEM tests (GPL-3.0) or written for this kit; none is a copy of a COD, AMCSD or ICSD entry. Lattice parameters and coordinates are published measurements, cited. WS2 cites Schutte, de Boer and Jellinek 1987; COD 5910003 holds the same structure under CC0, but the fixture is not that file.
    • Oracle outputs: pymatgen (MIT), spglib (BSD-3-Clause), orix 0.15.0 (GPL-3.0-or-later), py4DSTEM f050d207 (GPL-3.0), NumPy and SciPy (BSD-3-Clause). No fixture is copied from the test data of pymatgen, orix or py4DSTEM.
    • Materials Project records: CC BY 4.0 (already credited).
  • NOTICE corrections: the pymatgen copyright line now quotes the pymatgen LICENSE file ("2011-2012 MIT & The Regents of the University of California"). The orix entry now uses the copyright line in the orix sources ("2018-2026 the orix developers") and GPL-3.0-or-later, as their headers and classifier state.
  • Tests/Fixtures/README.md: the same list as a table.
  • README licence paragraph: says the CIFs are not database copies and points to the fixture table.

How the licences were checked

  • pymatgen: LICENSE in materialsproject/pymatgen (MIT).
  • orix: orix/__init__.py header and the pyproject classifier (GPL-3.0-or-later).
  • py4DSTEM: LICENSE.txt and setup.py at f050d207 (GPLv3).
  • spglib: GitHub licence API (BSD-3-Clause).
  • COD: crystallography.net/cod states CC0.
  • AMCSD: the site could not be reached. No fixture comes from AMCSD, so NOTICE states only that.
  • The CIF provenance comes from each first comment line and the mac4DSTEM 7448401b source. The pin-script imports show which package made which pin.

Left open on #17

  • Swift Package Index badge: the package must be listed on SPI first. That is a public listing, so it is Paul's call.

Test evidence

Docs only, no code change. The CI gate staying green is the test.

🤖 Generated with Claude Code

…xture README

NOTICE gains a section that lists each test-fixture source with its licence:
the CIFs (from the mac4DSTEM tests or written here; none is a copy of a COD,
AMCSD or ICSD entry; WS2 cites Schutte et al. 1987, the structure COD 5910003
also holds under CC0), the oracle outputs of pymatgen (MIT), spglib
(BSD-3-Clause), orix 0.15.0 (GPL-3.0-or-later), py4DSTEM f050d207 (GPL-3.0),
NumPy and SciPy (BSD-3-Clause), and the Materials Project records (CC BY 4.0).
No fixture is taken from the test data of those packages.

The pymatgen copyright line now quotes its LICENSE file, and the orix entry
now names its own copyright line and GPL-3.0-or-later, as its sources state.
Tests/Fixtures/README.md gets the same list as a table, and the README
licence paragraph points to it.

Done: the fixture-licence part of #17. Next: the Swift Package Index badge, which needs the package listed first.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
@Paullo9 Paullo9 self-assigned this Oct 30, 2026
The licence paragraph said every fixture is generated by the kit and the pinned reference under GPL-3.0-only. The table in the
same file says the CIFs come from the mac4DSTEM 7448401b tests (GPL-3.0) or were written for this kit. The paragraph now says
the same: pin JSON files are generated, 16 CIFs are from the mac4DSTEM tests, 10 were written for this kit, 3 Materials
Project records are third party. Each CIF row now names its source in the Note column, read from its first comment line.

Done: the README, the table and NOTICE name the same sources and licences. Next: review and merge of the PR.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
@Paullo9
Paullo9 merged commit fc999b8 into main Oct 31, 2026
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@Paullo9
Paullo9 deleted the issue-17-fixture-licences branch October 31, 2026 09:34
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