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skpkg: scikit-package to the latest workflow standard by stevenhua0320 · Pull Request #97 · diffpy/diffpy.srreal · GitHub

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skpkg: scikit-package to the latest workflow standard - #97

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sbillinge merged 4 commits into
diffpy:mainfrom
stevenhua0320:skpkg-update
Oct 12, 2026
Merged

sbillinge merged 4 commits into
diffpy:mainfrom
stevenhua0320:skpkg-update

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@sbillinge @SYMSCAE ready to review. I'm not a C expert so need some review over whether the setup is right. Mostly automatically done by the update command, but for scikit-package update, it creates a setup.py that controls the extension of C code, but not sure whether we actually need this from the nanobind conversion perspective. If it does not need it, let me know and I would delete it in the next commit.

codecov Bot commented Oct 11, 2026 •
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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 98.71%. Comparing base (1a8015a) to head (e28bcc1).

Additional details and impacted files
@@           Coverage Diff           @@
##             main      #97   +/-   ##
=======================================
  Coverage   98.71%   98.71%           
=======================================
  Files          27       27           
  Lines        3967     3967           
=======================================
  Hits         3916     3916           
  Misses         51       51           
Files with missing lines Coverage Δ
tests/test_version.py 100.00% <100.00%> (ø)
🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

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Choose a reason Spam Abuse Off Topic Outdated Duplicate Resolved Low Quality

please see my comments. I think we probably want to remove the setup.py, but let's make sure per @SYMSCAE

@@ -17,11 +17,5 @@ jobs:
project: diffpy.srreal
c_extension: true
headless: false
run: |

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Choose a reason Spam Abuse Off Topic Outdated Duplicate Resolved Low Quality

we probably need this.

Comment thread .pre-commit-config.yaml Outdated
@@ -1,5 +1,5 @@
default_language_version:
python: python3
python: python3.14

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Choose a reason Spam Abuse Off Topic Outdated Duplicate Resolved Low Quality

I think this should be unchanged as python3

Comment thread setup.py Outdated

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Choose a reason Spam Abuse Off Topic Outdated Duplicate Resolved Low Quality

Please remove this file as this wasn't used.

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OK, have removed the setup.py and fixed everything @sbillinge has mentioned, see the latest commit and another review.

SYMSCAE commented Oct 12, 2026

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LGTM. Not seeing anything obvious that breaks the code.

sbillinge merged commit 042ae14 into diffpy:main Oct 12, 2026
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