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Merge pull request #341 from cadenmyers13/setup-CI
skpkg: update github workflows to skpkg standards
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.github/ISSUE_TEMPLATE/release_checklist.md

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- [ ] License information is verified as correct. If you are unsure, please comment below.
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- [ ] Locally rendered documentation contains all appropriate pages, including API references (check no modules are
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missing), tutorials, and other human-written text is up-to-date with any changes in the code.
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- [ ] Installation instructions in the README, documentation, and the website (e.g., diffpy.org) are updated.
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- [ ] Installation instructions in the README, documentation, and the website are updated.
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- [ ] Successfully run any tutorial examples or do functional testing with the latest Python version.
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- [ ] Grammar and writing quality are checked (no typos).
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- [ ] 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.
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Please mention @sbillinge here when you are ready for PyPI/GitHub release. Include any additional comments necessary, such as version information and details about the pre-release here:
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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:
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### PyPI/GitHub full-release preparation checklist:
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- [ ] Create a new conda environment and install the rc from PyPI (`pip install <package-name>==??`)
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- [ ] License information on PyPI is correct.
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- [ ] Docs are deployed successfully to `https://www.diffpy.org/<package-name>`.
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- [ ] Docs are deployed successfully to `https://<github-username-or-orgname>/<package-name>`.
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- [ ] Successfully run all tests, tutorial examples or do functional testing.
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Please let @sbillinge know that all checks are done and the package is ready for full release.
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Please let the maintainer know that all checks are done and the package is ready for full release.
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### conda-forge release preparation checklist:
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<!-- After @sbillinge releases the PyPI package, please check the following when creating a PR for conda-forge release.-->
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<!-- After the maintainer releases the PyPI package, please check the following when creating a PR for conda-forge release.-->
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- [ ] Ensure that the full release has appeared on PyPI successfully.
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- [ ] New package dependencies listed in `conda.txt` and `test.txt` are added to `meta.yaml` in the feedstock.
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- [ ] Close any open issues on the feedstock. Reach out to @bobleesj if you have questions.
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- [ ] Tag @sbillinge and @bobleesj for conda-forge release.
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- [ ] Close any open issues on the feedstock. Reach out to the maintainer if you have questions.
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- [ ] Tag the maintainer for conda-forge release.
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### Post-release checklist
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### What problem does this PR address?
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<!-- Provide a brief overview and link to the issue. Attach outputs, including screenshots (before/after), if helpful for the reviewer. -->
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### What should the reviewer(s) do?
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<!-- Merge the code, provide feedback, initiate a discussion, etc. -->
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<!--
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Use the following checklist items when applicable (select only what applies):
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- [ ] This PR introduces a public-facing change (e.g., figures, CLI input/output, API).
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- [ ] Documentation (e.g., tutorials, examples, README) has been updated.
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- [ ] A tracking issue or plan to update documentation exists.
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- [ ] This PR affects internal functionality only (no user-facing change).
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-->

.github/workflows/build-wheel-release-upload.yml

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jobs:
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release:
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uses: Billingegroup/release-scripts/.github/workflows/_build-wheel-release-upload.yml@v0
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uses: scikit-package/release-scripts/.github/workflows/_build-wheel-release-upload.yml@v0
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with:
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project: diffpy.utils
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github_admin_username: sbillinge
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c_extension: false
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maintainer_GITHUB_username: sbillinge
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secrets:
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PYPI_TOKEN: ${{ secrets.PYPI_TOKEN }}
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PAT_TOKEN: ${{ secrets.PAT_TOKEN }}

.github/workflows/check-news-item.yml

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jobs:
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check-news-item:
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uses: Billingegroup/release-scripts/.github/workflows/_check-news-item.yml@v0
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uses: scikit-package/release-scripts/.github/workflows/_check-news-item.yml@v0
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with:
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project: diffpy.utils

.github/workflows/matrix-and-codecov-on-merge-to-main.yml

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jobs:
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matrix-coverage:
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uses: Billingegroup/release-scripts/.github/workflows/_matrix-and-codecov-on-merge-to-main.yml@v0
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uses: scikit-package/release-scripts/.github/workflows/_matrix-and-codecov-on-merge-to-main.yml@v0
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with:
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project: diffpy.utils
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c_extension: false

.github/workflows/publish-docs-on-release.yml

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name: Deploy Documentation on Release
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on:
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release:
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types: [published, prereleased]
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workflow_dispatch:
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jobs:
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docs:
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permissions:
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contents: write
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uses: Billingegroup/release-scripts/.github/workflows/_publish-docs-on-release.yml@v0
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uses: scikit-package/release-scripts/.github/workflows/_publish-docs-on-release.yml@v0
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with:
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project: diffpy.utils
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c_extension: false

.github/workflows/tests-on-pr.yml

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name: Tests on PR
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on:
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push:
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branches:
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- main
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pull_request:
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workflow_dispatch:
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jobs:
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tests-on-pr:
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uses: Billingegroup/release-scripts/.github/workflows/_tests-on-pr.yml@v0
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uses: scikit-package/release-scripts/.github/workflows/_tests-on-pr.yml@v0
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with:
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project: diffpy.utils
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c_extension: false

.gitignore

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.Python
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env/
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build/
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_build/
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develop-eggs/
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dist/
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downloads/
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# Ipython Notebook
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.ipynb_checkpoints
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# version information
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setup.cfg
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/src/diffpy/*/version.cfg
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# Rever
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rever/

.pre-commit-config.yaml

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name: Prevent Commit to Main Branch
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args: ["--branch", "main"]
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stages: [pre-commit]
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# codespell - spell checker for source code
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- repo: https://github.com/codespell-project/codespell
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rev: v2.3.0
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hooks:
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- id: codespell
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additional_dependencies:
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- tomli
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# prettier - multi formatter for json, yaml, md
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# prettier - multi formatter for .json, .yml, and .md files
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- repo: https://github.com/pre-commit/mirrors-prettier
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rev: f12edd9c7be1c20cfa42420fd0e6df71e42b51ea # frozen: v4.0.0-alpha.8
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hooks:
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- id: prettier
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additional_dependencies:
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- "prettier@^3.2.4"
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# docformatter - formats docstrings using PEP 257
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# docformatter - PEP 257 compliant docstring formatter
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- repo: https://github.com/s-weigand/docformatter
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rev: 5757c5190d95e5449f102ace83df92e7d3b06c6c
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hooks:

news/setup-CI.rst

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**Added:**
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* <news item>
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**Changed:**
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* <news item>
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**Deprecated:**
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* <news item>
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**Removed:**
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* <news item>
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**Fixed:**
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* Update github CI to scikit-package standard
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**Security:**
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* <news item>

src/diffpy/utils/__init__.py

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#!/usr/bin/env python
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##############################################################################
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#
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# (c) 2024 The Trustees of Columbia University in the City of New York.
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# (c) 2025 The Trustees of Columbia University in the City of New York.
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# All rights reserved.
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#
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# File coded by: Billinge Group members and community contributors.
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# File coded by: Simon Billinge, Billinge Group members.
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#
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# See GitHub contributions for a more detailed list of contributors.
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# https://github.com/diffpy/diffpy.utils/graphs/contributors
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# silence the pyflakes syntax checker
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assert __version__ or True
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# End of file

src/diffpy/utils/version.py

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#!/usr/bin/env python
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##############################################################################
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#
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# (c) 2024 The Trustees of Columbia University in the City of New York.
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# (c) 2025 The Trustees of Columbia University in the City of New York.
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# All rights reserved.
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#
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# File coded by: Billinge Group members and community contributors.
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# File coded by: Simon Billinge, Billinge Group members.
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__version__ = version("diffpy.utils")
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# End of file

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