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Updated scikit package - #227

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stevenhua0320 wants to merge 5 commits into
diffpy:mainfrom
stevenhua0320:updated-scikit-package
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stevenhua0320 wants to merge 5 commits into
diffpy:mainfrom
stevenhua0320:updated-scikit-package

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@stevenhua0320

@stevenhua0320 stevenhua0320 commented Sep 30, 2026 •

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@sbillinge ready to review. Most of the work done by @Akadib and fix something that could not handle on his laptop. Has reviewed.

@codecov

codecov Bot commented Sep 30, 2026

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 99.17%. Comparing base (b1438f2) to head (7d56dfe).
⚠️ Report is 1 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #227   +/-   ##
=======================================
  Coverage   99.17%   99.17%           
=======================================
  Files           5        5           
  Lines         364      364           
=======================================
  Hits          361      361           
  Misses          3        3           
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.

@sbillinge sbillinge left a comment •

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Please install and run the code in the current version to make sure you understand how it works and what it does (there should be some tutorials in the docs) and make sure that it is not broken after the migration, i.e , it works in the same way before and after.

Comment thread news/scikit-package.rst
@@ -0,0 +1,23 @@
**Added:**

* migrated `labpdfproc` to a latest scikit-package level

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this is probably better as a fixed?

@@ -0,0 +1,35 @@
import argparse

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I think labpdfproc as apps so we probably don't want this auto-generated one. I suggest to run the old version of the code to understand how it works, and then to make sure that it still works the same way after migrating.

Comment thread pyproject.toml
dev_template = "{tag}"
dirty_template = "{tag}"

[project.scripts]

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removing this is probably breaking things too, but do check.

Comment thread pyproject.toml
[tool.setuptools.package-data]
"diffpy.labpdfproc" = ["data/*"]

[project.scripts]

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we probably don't need this

@sbillinge

sbillinge commented Sep 30, 2026 •

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Please see comment that I accidentally put on the closed PR about updating requirements and docs as well as the other things. Perhaps they would be better on another PR though?

@stevenhua0320

stevenhua0320 commented Sep 30, 2026 •

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Just to quote what is being said on the closed PR comment:
As well as my other comments, please could you also update the docs. I am pretty sure that we can build this with Gooey in 3.14 so changing requirements correspondingly, and the docs and installation instructions to bring things up to date would be good
@Akadib could you work on this? I can give you instructions on how could we do this.

@stevenhua0320

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Please see comment that I accidentally put on the closed PR about updating requirements and docs as well as the other things. Perhaps they would be better on another PR though?

Just a quick question here. I think for labpdfproc we did not pin over the version of gooey so it should be fine when we use the latest workflow and it will fetch the required version for gooey with python 3.14.

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