Merge branch 'main' of https://github.com/AI4ChemS/Eunomia #3

	name: publish

	on:
	push:
	branches: [ "main" ]
	release:
	types:
	- created
	workflow_dispatch:


	jobs:
	publish:

	runs-on: ubuntu-latest

	steps:
	- uses: actions/checkout@v2
	- name: Set up Python "3.9"
	uses: actions/setup-python@v2
	with:
	python-version: "3.9"
	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	pip install setuptools wheel twine
	if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
	- name: Check pre-commit
	run: pre-commit run --all-files \|\| ( git status --short ; git diff ; exit 1 )
	- name: Publish distribution 📦 to PyPI
	run: \|
	pip install build
	python -m build --sdist --wheel --outdir dist/ .
	twine upload dist/*
	env:
	TWINE_USERNAME: __token__
	TWINE_PASSWORD: ${{ secrets.PYPI_API_TOKEN }}

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