Merge pull request #300 from UC-Davis-molecular-computing/dev #46

	name: "release"

	on:
	push:
	branches:
	- "main"

	jobs:
	release:
	name: "Release"
	runs-on: "ubuntu-latest"

	steps:
	# ...
	- name: "Build & test"
	run: \|
	echo "done!"
	- uses: "marvinpinto/action-automatic-releases@latest"
	with:
	repo_token: "${{ secrets.GITHUB_TOKEN }}"
	automatic_release_tag: "current"
	prerelease: false
	title: "Development Build [TODO: Replace label and number with version number]"
	files: \|
	LICENSE.txt

	# Publish to PyPI
	- uses: actions/checkout@v2
	- name: Set up Python
	uses: actions/setup-python@v2
	with:
	python-version: '3.x'
	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	pip install setuptools wheel twine
	- name: Build and publish
	env:
	TWINE_USERNAME: ${{ secrets.PYPI_USERNAME }}
	TWINE_PASSWORD: ${{ secrets.PYPI_PASSWORD }}
	run: \|
	python setup.py sdist bdist_wheel
	twine upload dist/*

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