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Adding a new package

To add a package (e.g. essdiffraction from scipp/essdiffraction):

1. Clone, rewrite history, and merge

git clone git@github.com:scipp/essdiffraction.git /tmp/essdiffraction
cd /tmp/essdiffraction
git filter-repo --to-subdirectory-filter packages/essdiffraction --tag-rename ':essdiffraction/'
cd /path/to/ess
git checkout -b adding-essdiffraction-package
git remote add essdiffraction /tmp/essdiffraction
git fetch essdiffraction --tags
git merge essdiffraction/main --allow-unrelated-histories
git remote remove essdiffraction

2. Update packages/essdiffraction/pyproject.toml

  • Set license-files = ["../../LICENSE"]
  • Add setuptools-scm monorepo config: 
    [tool.setuptools_scm]
root = "../.."
tag_regex = "^essdiffraction/(?P<version>[vV]?\\d+(?:\\.\\d+)*(?:[._-]?\\w+)*)$"
git_describe_command = ["git", "describe", "--dirty", "--tags", "--long", "--match", "essdiffraction/*[0-9]*"]
  • Add docs extra with deps from requirements/docs.in (minus base deps), e.g.: 
    docs = [
  "autodoc-pydantic",
  "ipykernel",
  "ipython!=8.7.0",
]
  • Remove unnecessary configurations in the pyproject.toml file. i.e. [tool.codespell], [tool.ruff], [tool.ruff.lint], [tool.ruff.format], etc
  • Delete unnecessary files: tox.ini, requirements/, .github/, .pre-commit-config.yaml, CODE_OF_CONDUCT.md, CONTRIBUTING.md, LICENSE, MANIFEST.in, .gitignore, .python-version.

3. Add to pixi.toml

Package feature:

[feature.essdiffraction.pypi-dependencies]
essdiffraction = { path = "packages/essdiffraction", editable = true, extras = ["test"] }

Docs feature:

[feature.docs-essdiffraction.pypi-dependencies]
essdiffraction = { path = "packages/essdiffraction", editable = true, extras = ["test", "docs"] }

[feature.docs-essdiffraction.tasks.docs-essdiffraction]
cmd = "python -m sphinx -v -b html -d packages/essdiffraction/.docs_doctrees packages/essdiffraction/docs packages/essdiffraction/html"

Environments (include features for workspace dependencies, e.g. essreduce):

essdiffraction = { features = ["essdiffraction", "essreduce"], solve-group = "default" }
lb-essdiffraction = { features = ["essdiffraction", "essreduce"], solve-group = "lower-bound" }
docs-essdiffraction = { features = ["docs-essdiffraction", "docs-essreduce", "docs"], solve-group = "default" }

Add the new feature to the default environment.

4. Add to .github/workflows/ci.yml

Add a change filter and matrix entry. If the package depends on essreduce, include essreduce paths in the filter.

Add package to other workflows in .github/workflows.

5. Run pixi install and commit

pixi install
git add -u
git commit -m "adding essdiffraction package"

6. Push the changes and tags with essdiffraction prefix.

git push origin adding-essdiffraction-package
git push origin --tags