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chore: copy over SAS code by cadenmyers13 · Pull Request #1 · diffpy/diffpy.cmisas · GitHub

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chore: copy over SAS code - #1

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sbillinge merged 4 commits into
diffpy:mainfrom
cadenmyers13:port-sas
Oct 16, 2026
Merged

sbillinge merged 4 commits into
diffpy:mainfrom
cadenmyers13:port-sas

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cadenmyers13 and others added 2 commits October 16, 2026 10:47
The SAS port needs srfit 3.4.0, but conda-forge only has 3.3.1. Install
the rc from PyPI in the workflows' run step until 3.4.0 is on
conda-forge.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Verbatim copy of srfit 3.4.0-rc.0 (507aa4e5) sas/ into diffpy.cmisas,
with imports pointed at diffpy.cmisas. SASCF moves from srfit's
pdf/characteristicfunctions.py into diffpy.cmisas.characteristicfunctions,
which holds only SASCF.

- Tests: copy test_sas.py, the 4 SASCF tests (keeping their
  known-broken skip) and their testdata, and add the datafile fixture.
  The has_sas skips are removed; test_generator and testGenerator2 are
  strict xfails because sasmodels' load_standard_models imports SasView,
  which is not installable on Python 3.12+.
- Requirements: numpy, scipy, diffpy.srfit, sasdata; sasmodels for tests.
- Remove the template functions.py and its test; add LICENSE_DANSE.rst.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>

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@sbillinge ready for review/merge. Added an issue for removing srfit ci pin

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cadenmyers13 and others added 2 commits October 16, 2026 13:07
- pyproject.toml, cookiecutter.json: support Python 3.12-3.14, matching
  diffpy.srfit (sasmodels and sasdata are noarch).
- pyproject.toml: point the diffpy-cmisas entry point at
  cmisas_app:main (app.py does not exist), and fail tests when cmisas
  calls its own deprecated names, matching srfit.
- src/diffpy/__init__.py: add extend_path so an editable cmisas does not
  hide other diffpy packages.
- docs: replace the template API page with the cmisas modules, and use
  m2r2 instead of the unmaintained m2r.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Set requires-python, the classifiers and cookiecutter.json to
3.11-3.13, matching the other diffpy.cmi* packages.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
sbillinge merged commit 868161a into diffpy:main Oct 16, 2026
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