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Add ipynb outputs and data, pcmt, workflows #56

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Merged
merged 3 commits into from
Jul 23, 2025

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Tieqiong
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@Tieqiong Tieqiong commented Jul 23, 2025

@sbillinge please check, thanks!

ipynb:
- Add examples outputs.
- Add examples data files into ./examples/data, update paths accordingly.
- Copy cpd-1a.prn from iucr, add attributions in header and skip header accordingly during read file.
pcmt:
- Remove nbstripout.
- Remove codespell check for ipynb, use nbqa supported codespell instead.

Add attributes to iucr file in README.rst.
Revert powderpattern.py plot functions, add #noqa for now.
Correct authors.
Try trigger workflows without .github on main.

closes #54

Tieqiong added 3 commits July 22, 2025 23:53
Remove codespell check for ipynb, use nbqa
    supported codespell instead.

Generate examples outputs
Add examples data files

Add attributes to iucr files in README.rst
Modify powderpattern plot functions, now back to
    original behavior
@vincefn
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vincefn commented Jul 23, 2025

Note that the notebooks need to be stored pre-rendered, because when relying on ipympl, I don't think the rendering can be done in a non-interactive environment.

@sbillinge
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Ths LGTM. I am not sure how to do the pre-rendering that @vincefn mentions, but @Tieqiong please could you try and take care of that and I can merge this.

@sbillinge sbillinge merged commit 1ca5b1d into diffpy:migration Jul 23, 2025
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3 participants