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skpkg: add CHAGELOG.rst, README.rst, license, update pyproject.toml by stevenhua0320 · Pull Request #150 · diffpy/diffpy.pdffit2 · GitHub

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skpkg: add CHAGELOG.rst, README.rst, license, update pyproject.toml - #150

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sbillinge merged 3 commits into
diffpy:migrationfrom
stevenhua0320:scikit-update-2
Nov 20, 2025
Merged

sbillinge merged 3 commits into
diffpy:migrationfrom
stevenhua0320:scikit-update-2

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@sbillinge Ready to review, note that not sure whether we need to maintain the CHANGELOG.rst as it is deleted automatically by package update

codecov Bot commented Nov 20, 2025 •
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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 98.97%. Comparing base (1ab04ae) to head (f795440).
⚠️ Report is 5 commits behind head on migration.

Additional details and impacted files
@@            Coverage Diff             @@
##           migration     #150   +/-   ##
==========================================
  Coverage      98.97%   98.97%           
==========================================
  Files              6        6           
  Lines           1267     1267           
==========================================
  Hits            1254     1254           
  Misses            13       13           
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Choose a reason Spam Abuse Off Topic Outdated Duplicate Resolved Low Quality

ok, good progress. Please see my comments. We need to change things up a little bit.

Comment thread CHANGELOG.rst
=============

.. current developments

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Choose a reason Spam Abuse Off Topic Outdated Duplicate Resolved Low Quality

we need to keep all of this. The changelog is updated at each release, by inserting new things at the top. So we need all of this legacy stuff.

Comment thread README.rst
To install using ``pip`` into your ``diffpy.pdffit2_env`` environment, type ::

conda create -n diffpy.pdffit2_env python=3.13
pip install diffpy.pdffit2

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Choose a reason Spam Abuse Off Topic Outdated Duplicate Resolved Low Quality

instructions here need to be changed to be the same as the instructions in INSTRUCTIONS.txt I think

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

Should it be maintained as the original form of installation guide as before? I don't think we have a INSTRUCTIONS.txt in this package.

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

ah, you are right. I was getting confused. Yes, in that case keep it as it was before. I don't think anything changed.

Comment thread README.rst Outdated
pip install .

Install pdffit2 using ``pip`` to download and install the latest version from `Python Package Index <https://pypi.python.org>`_: ::
This package also provides command-line utilities. To check the software has been installed correctly, type ::

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

this also needs to be updated as I don't think we have a cli for this program. If we do it just returns version to make sure the installation was correct, but it is never used this way.

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