Ready for 1.0.0 PyPI/GitHub release

[zmx27]

PyPI/GitHub rc-release preparation checklist:

• All PRs/issues attached to the release are merged.
• All the badges on the README are passing.
• License information is verified as correct. If you are unsure, please comment below.
• Locally rendered documentation contains all appropriate pages, including API references (check no modules are
  missing), tutorials, and other human-written text is up-to-date with any changes in the code.
• Installation instructions in the README, documentation, and the website are updated.
• Successfully run any tutorial examples or do functional testing with the latest Python version.
• Grammar and writing quality are checked (no typos).
• Install pip install build twine, run python -m build and twine check dist/* to ensure that the package can be built and is correctly formatted for PyPI release.

Please tag the maintainer (e.g., @username) in the comment here when you are ready for the PyPI/GitHub release. Include any additional comments necessary, such as version information and details about the pre-release here:

PyPI/GitHub full-release preparation checklist:

• Create a new conda environment and install the rc from PyPI (pip install <package-name>==??)
• License information on PyPI is correct.
• Docs are deployed successfully to https://<github-username-or-orgname>/<package-name>.
• Successfully run all tests, tutorial examples or do functional testing.

Please let the maintainer know that all checks are done and the package is ready for full release.

conda-forge release preparation checklist:

• Ensure that the full release has appeared on PyPI successfully.
• New package dependencies listed in conda.txt and tests.txt are added to meta.yaml in the feedstock.
• Close any open issues on the feedstock. Reach out to the maintainer if you have questions.
• Tag the maintainer for conda-forge release.

Post-release checklist

• Run tutorial examples and conduct functional testing using the installation guide in the README. Attach screenshots/results as comments.
• Documentation (README, tutorials, API references, and websites) is deployed without broken links or missing figures.

[zmx27]

1. All PRs except docs: add docs folder from skpkg to srxconfutils #21 is merged.
2. README badges are passing:

3. We are continuing to use the old license already on the repo, so it should be correct.
4. The repo currently doesn't have any documentation, but I can make a quick PR adding in the docs folder. Edit: PR made.
5. The installation instruction in the README is updated. This will be transferred over to the documentation in my PR.
6. There are no tutorial examples, but here is the result of running pytest:

============================= test session starts ==============================
platform darwin -- Python 3.13.7, pytest-8.4.2, pluggy-1.6.0
rootdir: /Users/zhimingxu/BillingeGroup/diffpy.srxconfutils/diffpy.srxconfutils
configfile: pyproject.toml
plugins: env-1.1.5, cov-7.0.0
collected 3 items

tests/test_tools.py ..                                                   [ 66%]
tests/test_version.py .                                                  [100%]

============================== 3 passed in 7.74s =============================== 

7. The grammar and writing is checked.
8. The package can be built and is correctly formatted. Here is the result of running twine check dist/*

$ twine check dist/*
Checking dist/diffpy_srxconfutils-0.0.1-py3-none-any.whl: PASSED
Checking dist/diffpy_srxconfutils-0.0.1.tar.gz: PASSED

[sbillinge]

@zmx27 I believe that for the release workflow to run correctly we need an INSTRUCTIONS.txt file available to package with the wheels. Please see the diffpy.pdfgetx for an example. Since this package is not designed to be installed standalone for now (or maybe ever) I think the instructions can simple mention that and point to the INSTRUCTOINS file, and any INSTALLATION instructions in the docs, in the diffpy.xpdfsuite software.

The target audience for this will be code maintainers. I will start a discussion on xpdfsuite (https://github.com/diffpy/diffpy.xpdfsuite/issues/40) for how we want that release workflow to go.

[zmx27]

@sbillinge just to confirm, I should add a INSTRUCTIONS.txt for all of the sub packages right?

[sbillinge]

yes, correct. I think the release CI will fail otherwise. For xpdfsuite it should tell real users how to do the installation (as in PDFgetX3 case), but in the sub-packages it can just mention that this doesn't get installed independently and please see xpdfsuite, sthg like that. We don't need one for srxplanar which is a public package so is released differently.