chore: add Python 3.14 support by SYMSCAE · Pull Request #31 · diffpy/diffpy.distanceprinter

SYMSCAE · 2026-05-29T18:14:21Z

Summary

This PR updated supported python version to 3.14. Resolves #30

SYMSCAE · 2026-05-29T18:16:37Z

codecov · 2026-05-29T18:17:02Z

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 81.63%. Comparing base (5065c05) to head (71b558f).

Additional details and impacted files

@@           Coverage Diff           @@
##             main      #31   +/-   ##
=======================================
  Coverage   81.63%   81.63%           
=======================================
  Files           3        3           
  Lines          49       49           
=======================================
  Hits           40       40           
  Misses          9        9

🚀 New features to boost your workflow:

❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

sbillinge · 2026-06-02T03:29:31Z

please remove 3.11 support. Add it in the news too. under "removed". Please don't say "bumped" but use slightly more formal language as this will go into the changelog. "Added support for Python 3.14" and so on.

stevenhua0320 · 2026-06-02T13:56:47Z

please remove 3.11 support. Add it in the news too. under "removed". Please don't say "bumped" but use slightly more formal language as this will go into the changelog. "Added support for Python 3.14" and so on.

I'm afraid that we still need to keep the python 3.11 version for some time since this is a subpackage for diffpy.xpdfsuite and it only supports version 3.11 and 3.12. Therefore, while it could add support for 3.14 we still need to keep 3.11 for a while.

sbillinge · 2026-06-02T15:21:18Z

please remove 3.11 support. Add it in the news too. under "removed". Please don't say "bumped" but use slightly more formal language as this will go into the changelog. "Added support for Python 3.14" and so on.

I'm afraid that we still need to keep the python 3.11 version for some time since this is a subpackage for diffpy.xpdfsuite and it only supports version 3.11 and 3.12. Therefore, while it could add support for 3.14 we still need to keep 3.11 for a while.

I am not sure I understand the reasoning here. If xpdfsuite supports 3.12 then it can use this version even if it doesn't support 3.11 as long as we build it in a 3.12 env. Also, 1.0.x release is there and still supports 3.11 so if someone builds a 3.11 env for some reason, it will just install the earlier version.

stevenhua0320 · 2026-06-02T16:01:04Z

please remove 3.11 support. Add it in the news too. under "removed". Please don't say "bumped" but use slightly more formal language as this will go into the changelog. "Added support for Python 3.14" and so on.

I'm afraid that we still need to keep the python 3.11 version for some time since this is a subpackage for diffpy.xpdfsuite and it only supports version 3.11 and 3.12. Therefore, while it could add support for 3.14 we still need to keep 3.11 for a while.

I am not sure I understand the reasoning here. If xpdfsuite supports 3.12 then it can use this version even if it doesn't support 3.11 as long as we build it in a 3.12 env. Also, 1.0.x release is there and still supports 3.11 so if someone builds a 3.11 env for some reason, it will just install the earlier version.

OK, that makes sense. So, we could remove 3.11 version then.

stevenhua0320 · 2026-06-02T17:07:42Z

@SYMSCAE Could you move the news item Added support... from Changed to Added one? thx

stevenhua0320 · 2026-06-02T17:14:11Z

Looks good to me now, @sbillinge ready for review

sbillinge

Please check workflows are the latest from skpkg

sbillinge · 2026-06-02T23:07:15Z

      c_extension: false
      headless: false
-      python_version: 3.13
+      python_version: 3.14


This seems wrong to me. Please can we check that this is using the latest workflows. We are not pinning python versions any more so the workflows may need to be updated

stevenhua0320 · 2026-06-02T23:15:44Z

I took a quick look over the current workflow for this package, it seems that we are still using the outdated workflow here. So, we might need to do a quick skpkg for this package. @SYMSCAE For how we will do this please reference here: https://scikit-package.github.io/scikit-package/overview.html. After you install this package in one of your local environment, please run package update command and follow the instruction to recut this package. If you have any questions feel free to ask me. One more to add that when you do the update, please remove the outdated workflow in the .github folder. Moreover, pay attention to this line in the pyproject.toml

[project.scripts]
distanceprinter = "diffpy.distanceprinter.distanceprinter:main"

Please maintain this one if the package update command modify this, we don't want the name of script/name of the command to run to be changed.

SYMSCAE · 2026-06-02T23:37:46Z

I took a quick look over the current workflow for this package, it seems that we are still using the outdated workflow here. So, we might need to do a quick skpkg for this package. @SYMSCAE For how we will do this please reference here: https://scikit-package.github.io/scikit-package/overview.html. After you install this package in one of your local environment, please run package update command and follow the instruction to recut this package. If you have any questions feel free to ask me. One more to add that when you do the update, please remove the outdated workflow in the .github folder. Moreover, pay attention to this line in the pyproject.toml
[project.scripts]
distanceprinter = "diffpy.distanceprinter.distanceprinter:main"
Please maintain this one if the package update command modify this, we don't want the name of script/name of the command to run to be changed.

I wonder which of the workflows is marked as outdated? The test-on-pr one has its version pin removed by the package update cmd.

stevenhua0320 · 2026-06-02T23:51:07Z

I took a quick look over the current workflow for this package, it seems that we are still using the outdated workflow here. So, we might need to do a quick skpkg for this package. @SYMSCAE For how we will do this please reference here: https://scikit-package.github.io/scikit-package/overview.html. After you install this package in one of your local environment, please run package update command and follow the instruction to recut this package. If you have any questions feel free to ask me. One more to add that when you do the update, please remove the outdated workflow in the .github folder. Moreover, pay attention to this line in the pyproject.toml
[project.scripts]
distanceprinter = "diffpy.distanceprinter.distanceprinter:main"
Please maintain this one if the package update command modify this, we don't want the name of script/name of the command to run to be changed.
I wonder which of the workflows is marked as outdated? The test-on-pr one has its version pin removed by the package update cmd.

I think we should remove matrix-and-codecov-on-merge-to-main.yml and publish-docs-on-release.yml as they are replaced by matrix-and-codecov.yml and build-and-publish-docs-on-dispatch.yml. In the latest scikit-package workflow, I believe we have removed the version pin, so please remove that pin in the test-on-pr.yml. Thanks.

stevenhua0320 · 2026-06-03T00:05:10Z

 =======

-``diffpy.distanceprinter`` is developed by Xiaohao Yang and Billinge Group members. The maintainer for this project is Simon Billinge. For a detailed list of contributors see
+``diffpy.distanceprinter`` is developed by Xiaohao Yang and Billinge Group members. This project is maintained by Simon Billinge and Sangjoon Bob Lee. For a detailed list of contributors see


For this package, the maintainer are Simon Billinge and Billinge Group members.

stevenhua0320 · 2026-06-03T00:05:32Z

 .. toctree::
   :maxdepth: 2

+   getting-started


please delete getting-started as we don't have this page built.

stevenhua0320 · 2026-06-03T00:07:36Z

 ##############################################################################
 #
-# (c) 2013-2025 The Trustees of Columbia University in the City of New York.
+# (c) 2026 The Trustees of Columbia University in the City of New York.


stevenhua0320 · 2026-06-03T00:08:04Z

 ##############################################################################
 #
-# (c) 2013-2025 The Trustees of Columbia University in the City of New York.
+# (c) 2026 The Trustees of Columbia University in the City of New York.


Same requirement as before in the license

stevenhua0320 · 2026-06-03T00:08:13Z

 ##############################################################################
 #
-# (c) 2013-2025 The Trustees of Columbia University in the City of New York.
+# (c) 2026 The Trustees of Columbia University in the City of New York.


stevenhua0320 · 2026-06-03T00:09:21Z

-
-
-1.0.0
-=====


Please keep all the CHANGELOG as before. These are for the CHANGELOG for the future release message and its history.

stevenhua0320 · 2026-06-03T00:09:43Z

 Instances of abusive, harassing, or otherwise unacceptable behavior may be
 reported to the community leaders responsible for enforcement at
-sb2896@columbia.edu. All complaints will be reviewed and investigated promptly and fairly.
+sbillinge@ucsb.edu and sl5400@columbia.edu. All complaints will be reviewed and investigated promptly and fairly.


We only need the Simon's email here.

stevenhua0320 · 2026-06-03T00:10:05Z

 BSD 3-Clause License

-Copyright (c) 2009-2025, The Trustees of Columbia University in the City of New York.
+Copyright (c) 2026, The Trustees of Columbia University in the City of New York.


Same requirement as the license here.

stevenhua0320 · 2026-06-03T00:10:26Z

 authors = [
-  { name="Simon J.L. Billinge Group", email="sb2896@columbia.edu" },
+  {name='Simon Billinge', email='sbillinge@ucsb.edu'},
+  {name='Sangjoon Bob Lee', email='sl5400@columbia.edu'},


Please only keep Simon's info here.

stevenhua0320 · 2026-06-03T00:10:47Z

 maintainers = [
-  { name="Simon J.L. Billinge Group", email="sb2896@columbia.edu" },
+  {name='Simon Billinge', email='sbillinge@ucsb.edu'},
+  {name='Sangjoon Bob Lee', email='sl5400@columbia.edu'},


Also we only need Simon's info.

stevenhua0320 · 2026-06-03T00:12:01Z

-Distance Printer, calculate the inter atomic distances. Part of xPDFsuite
+Distance Printer, calculate the inter atomic distances. Part of xPDFsuite.
+
+* LONGER DESCRIPTION HERE


please delete the * LONGER DESCRIPTION HERE. For some other packages that we have longer description, please replace this line to the original description to the package here. (We don't have it for this package, so just delete it.)

stevenhua0320 · 2026-06-03T00:12:18Z

-        Xiaohao Yang, Pavol Juhas, Christopher L. Farrow and Simon J. L. Billinge, xPDFsuite: an end-to-end
-        software solution for high throughput pair distribution function transformation, visualization and
-        analysis, arXiv 1402.3163 (2025)
+        diffpy.distanceprinter Package, https://github.com/diffpy/diffpy.distanceprinter


Please keep the original reference here.

stevenhua0320 · 2026-06-03T00:12:42Z

 -------

-For more information on diffpy.distanceprinter please visit the project `web-page <https://www.diffpy.org>`_ or email Simon J.L. Billinge Group at sb2896@columbia.edu.
+For more information on diffpy.distanceprinter please visit the project `web-page <https://diffpy.github.io/>`_ or email the maintainers ``Simon Billinge(sbillinge@ucsb.edu) and Sangjoon Bob Lee(sl5400@columbia.edu)``.


Please here only have Prof. Simon. Thanks

stevenhua0320 · 2026-06-03T00:29:42Z

      project: diffpy.distanceprinter
      c_extension: false
-      maintainer_GITHUB_username: sbillinge
+      maintainer_github_username: sbillinge, bobleesj


One more things to change here: we only need to keep Simon's github account here.

stevenhua0320 · 2026-06-03T00:30:45Z

-This package is not designed to be installed independently. To get started, please visit
-https://www.diffpy.org/products/xPDFsuite.html for more information about the xpdfsuite package and
-download the package together with ``diffpy.xpdfsuite``.
+To get started, please visit the :ref:`Getting started <getting-started>` page.


Please keep the original description of the package (the deleted lines here).

stevenhua0320 · 2026-06-03T00:38:01Z

Looks good to me now. @sbillinge we have recut this package to the latest skpkg version, ready for review.

sbillinge · 2026-06-03T03:30:03Z

great job guys! @stevenhua0320 do we want to make a new release? If we don't have one, could you make a release issue?

stevenhua0320 · 2026-06-03T13:05:00Z

Yes we could do a new release and I believe I have created the release issue workflow for version release 1.1.0

bump python version to 3.14

d63d6bc

SYMSCAE marked this pull request as ready for review May 29, 2026 18:16

SYMSCAE changed the title ~~chore: bump python version to 3.14~~ chore: add Python 3.14 support Jun 2, 2026

SYMSCAE added 2 commits June 2, 2026 09:55

Merge branch 'main' into py314

f9fad4f

remove python 3.11 support

1dc3297

changed news item category

7e18d23

sbillinge reviewed Jun 2, 2026

View reviewed changes

Merge branch 'main' into py314

c12b154

SYMSCAE added 2 commits June 2, 2026 16:56

run package update

df0d48a

fix dependencies

4c5f6be

stevenhua0320 reviewed Jun 3, 2026

View reviewed changes

correct repo info and revert readme

487bed6

stevenhua0320 reviewed Jun 3, 2026

View reviewed changes

fix repo info, revert description

71b558f

sbillinge merged commit 38fe5f8 into diffpy:main Jun 3, 2026
6 checks passed



		1.0.0
		=====

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