notes.md

Setting up automatic PyPI publishing

1. Create PyPI account
2. Fill in the from at https://pypi.org/manage/account/publishing/

The code should be automatically published on every push to main.

Setting up docs

To build docs locally, pip install sphinx sphinx-rtd-theme and then run make html in the docs directory.

Automatic deployment to github pages

The docs are deployed automatically to GitHub pages on push to main. This is done by the deploy_pages.yaml workflow.

Packaging example data

Example chromatogramd data don't fit into PyPI package size limit. The workflow package_data.yaml compresses them and pushes on example-data branch.

The data can be then downloaded into the package using python -m mocca2 --download-data.

If master repo changes, the link needs to be changed in __main__.py and user name and email should be changed in the workflow.

Automatic tests

All automatic tests are in the tests/ directory. They are automatically run using the ci.yaml workflow.

Publishing the package to PyPI and GitHub releases

This is done by the publish to pypu.yaml workflow.

If master repo changes, it needs to be updated in the PyPI registry.