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TheochemUI/eONpy

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About

Thin bindings to the eON client (v2).

Build

Conda

We provide a conda environment.

micromamba create -f environment.yml
micromamba activate eongit

Documentation

Readme

The readme can be constructed via:

./scripts/org_to_md.sh readme_src.org readme.md

Generate org to md

emacs --script ./scripts/clean_and_convert.el

Contributing

Do run pre-commit before actually submitting pull requests!

pipx run pre-commit run --all-files

For best results, consider installing the git hook as well.

pipx run pre-commit install

License

MIT.

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Thin python bindings to the v2 eon client

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