Allow 1 atom functionalizations. #210

	# This workflow is used to upload and deploy a new release to PyPi
	# Based on https://github.com/pypa/gh-action-pypi-publish

	name: PyPi Release

	on:
	push:
	pull_request:
	workflow_dispatch:

	jobs:
	build:
	runs-on: ubuntu-latest

	steps:
	- uses: actions/checkout@v2
	- uses: actions/setup-python@v2
	with:
	python-version: "3.10"

	- name: Install dependencies
	run: >-
	python -m pip install --user --upgrade setuptools wheel
	- name: Build
	run: >-
	python setup.py sdist bdist_wheel
	- name: Publish distribution 📦 to PyPI
	if: startsWith(github.event.ref, 'refs/tags') \|\| github.event_name == 'release'
	uses: pypa/gh-action-pypi-publish@master
	with:
	user: __token__
	password: ${{ secrets.pypi_password }}

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