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Jun 10, 2025
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14 changes: 7 additions & 7 deletions .github/ISSUE_TEMPLATE/release_checklist.md
Original file line number Diff line number Diff line change
Expand Up @@ -13,30 +13,30 @@ assignees: ""
- [ ] 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 (e.g., diffpy.org) are updated.
- [ ] 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 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:
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://www.diffpy.org/<package-name>`.
- [ ] Docs are deployed successfully to `https://<github-username-or-orgname>/<package-name>`.
- [ ] Successfully run all tests, tutorial examples or do functional testing.

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

### conda-forge release preparation checklist:

<!-- After @sbillinge releases the PyPI package, please check the following when creating a PR for conda-forge release.-->
<!-- After the maintainer releases the PyPI package, please check the following when creating a PR for conda-forge release.-->

- [ ] Ensure that the full release has appeared on PyPI successfully.
- [ ] New package dependencies listed in `conda.txt` and `test.txt` are added to `meta.yaml` in the feedstock.
- [ ] Close any open issues on the feedstock. Reach out to @bobleesj if you have questions.
- [ ] Tag @sbillinge and @bobleesj for conda-forge release.
- [ ] 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

Expand Down
15 changes: 15 additions & 0 deletions .github/PULL_REQUEST_TEMPLATE/pull_request_template.md
Original file line number Diff line number Diff line change
@@ -0,0 +1,15 @@
### What problem does this PR address?

<!-- Provide a brief overview and link to the issue. Attach outputs, including screenshots (before/after), if helpful for the reviewer. -->

### What should the reviewer(s) do?

<!-- Merge the code, provide feedback, initiate a discussion, etc. -->

<!--
Use the following checklist items when applicable (select only what applies):
- [ ] This PR introduces a public-facing change (e.g., figures, CLI input/output, API).
- [ ] Documentation (e.g., tutorials, examples, README) has been updated.
- [ ] A tracking issue or plan to update documentation exists.
- [ ] This PR affects internal functionality only (no user-facing change).
-->
6 changes: 3 additions & 3 deletions .github/workflows/build-wheel-release-upload.yml
Original file line number Diff line number Diff line change
Expand Up @@ -8,11 +8,11 @@ on:

jobs:
release:
uses: Billingegroup/release-scripts/.github/workflows/_build-wheel-release-upload.yml@v0
uses: scikit-package/release-scripts/.github/workflows/_build-wheel-release-upload.yml@v0
with:
project: diffpy.utils
github_admin_username: sbillinge

c_extension: false
maintainer_GITHUB_username: sbillinge
secrets:
PYPI_TOKEN: ${{ secrets.PYPI_TOKEN }}
PAT_TOKEN: ${{ secrets.PAT_TOKEN }}
2 changes: 1 addition & 1 deletion .github/workflows/check-news-item.yml
Original file line number Diff line number Diff line change
Expand Up @@ -7,6 +7,6 @@ on:

jobs:
check-news-item:
uses: Billingegroup/release-scripts/.github/workflows/_check-news-item.yml@v0
uses: scikit-package/release-scripts/.github/workflows/_check-news-item.yml@v0
with:
project: diffpy.utils
2 changes: 1 addition & 1 deletion .github/workflows/matrix-and-codecov-on-merge-to-main.yml
Original file line number Diff line number Diff line change
Expand Up @@ -12,7 +12,7 @@ on:

jobs:
matrix-coverage:
uses: Billingegroup/release-scripts/.github/workflows/_matrix-and-codecov-on-merge-to-main.yml@v0
uses: scikit-package/release-scripts/.github/workflows/_matrix-and-codecov-on-merge-to-main.yml@v0
with:
project: diffpy.utils
c_extension: false
Expand Down
6 changes: 1 addition & 5 deletions .github/workflows/publish-docs-on-release.yml
Original file line number Diff line number Diff line change
@@ -1,15 +1,11 @@
name: Deploy Documentation on Release

on:
release:
types: [published, prereleased]
workflow_dispatch:

jobs:
docs:
permissions:
contents: write
uses: Billingegroup/release-scripts/.github/workflows/_publish-docs-on-release.yml@v0
uses: scikit-package/release-scripts/.github/workflows/_publish-docs-on-release.yml@v0
with:
project: diffpy.utils
c_extension: false
Expand Down
5 changes: 1 addition & 4 deletions .github/workflows/tests-on-pr.yml
Original file line number Diff line number Diff line change
@@ -1,15 +1,12 @@
name: Tests on PR

on:
push:
branches:
- main
pull_request:
workflow_dispatch:

jobs:
tests-on-pr:
uses: Billingegroup/release-scripts/.github/workflows/_tests-on-pr.yml@v0
uses: scikit-package/release-scripts/.github/workflows/_tests-on-pr.yml@v0
with:
project: diffpy.utils
c_extension: false
Expand Down
8 changes: 1 addition & 7 deletions .gitignore
Original file line number Diff line number Diff line change
Expand Up @@ -10,6 +10,7 @@ __pycache__/
.Python
env/
build/
_build/
develop-eggs/
dist/
downloads/
Expand Down Expand Up @@ -90,10 +91,3 @@ target/

# Ipython Notebook
.ipynb_checkpoints

# version information
setup.cfg
/src/diffpy/*/version.cfg

# Rever
rever/
5 changes: 2 additions & 3 deletions .pre-commit-config.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -44,21 +44,20 @@ repos:
name: Prevent Commit to Main Branch
args: ["--branch", "main"]
stages: [pre-commit]
# codespell - spell checker for source code
- repo: https://github.com/codespell-project/codespell
rev: v2.3.0
hooks:
- id: codespell
additional_dependencies:
- tomli
# prettier - multi formatter for json, yaml, md
# prettier - multi formatter for .json, .yml, and .md files
- repo: https://github.com/pre-commit/mirrors-prettier
rev: f12edd9c7be1c20cfa42420fd0e6df71e42b51ea # frozen: v4.0.0-alpha.8
hooks:
- id: prettier
additional_dependencies:
- "prettier@^3.2.4"
# docformatter - formats docstrings using PEP 257
# docformatter - PEP 257 compliant docstring formatter
- repo: https://github.com/s-weigand/docformatter
rev: 5757c5190d95e5449f102ace83df92e7d3b06c6c
hooks:
Expand Down
23 changes: 23 additions & 0 deletions news/setup-CI.rst
Original file line number Diff line number Diff line change
@@ -0,0 +1,23 @@
**Added:**

* <news item>

**Changed:**

* <news item>

**Deprecated:**

* <news item>

**Removed:**

* <news item>

**Fixed:**

* Update github CI to scikit-package standard

**Security:**

* <news item>
6 changes: 4 additions & 2 deletions src/diffpy/utils/__init__.py
Original file line number Diff line number Diff line change
@@ -1,10 +1,10 @@
#!/usr/bin/env python
##############################################################################
#
# (c) 2024 The Trustees of Columbia University in the City of New York.
# (c) 2025 The Trustees of Columbia University in the City of New York.
# All rights reserved.
#
# File coded by: Billinge Group members and community contributors.
# File coded by: Simon Billinge, Billinge Group members.
#
# See GitHub contributions for a more detailed list of contributors.
# https://github.com/diffpy/diffpy.utils/graphs/contributors
Expand All @@ -19,3 +19,5 @@

# silence the pyflakes syntax checker
assert __version__ or True

# End of file
6 changes: 4 additions & 2 deletions src/diffpy/utils/version.py
Original file line number Diff line number Diff line change
@@ -1,10 +1,10 @@
#!/usr/bin/env python
##############################################################################
#
# (c) 2024 The Trustees of Columbia University in the City of New York.
# (c) 2025 The Trustees of Columbia University in the City of New York.
# All rights reserved.
#
# File coded by: Billinge Group members and community contributors.
# File coded by: Simon Billinge, Billinge Group members.
#
# See GitHub contributions for a more detailed list of contributors.
# https://github.com/diffpy/diffpy.utils/graphs/contributors
Expand All @@ -21,3 +21,5 @@
from importlib.metadata import version

__version__ = version("diffpy.utils")

# End of file
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