CI to build Docker container automatically #27

	name: CI to build Docker container automatically

	on:
	push:
	branches: main
	# Allows you to run this workflow manually from the Actions tab
	workflow_dispatch:

	jobs:
	build:
	runs-on: ubuntu-latest
	steps:
	- name: Check Out Repo
	uses: actions/checkout@v2

	- name: Login to Docker Hub
	uses: docker/login-action@v1
	with:
	username: ${{ secrets.DOCKER_HUB_USERNAME }}
	password: ${{ secrets.DOCKER_HUB_ACCESS_TOKEN }}

	- name: Set up Docker Buildx
	id: buildx
	uses: docker/setup-buildx-action@v1

	- name: Build and push
	id: docker_build
	uses: docker/build-push-action@v2
	with:
	context: ./
	file: ./Dockerfile
	push: true
	tags: ${{ secrets.DOCKER_HUB_USERNAME }}/pysages-openmm:latest

	- name: Image digest
	run: echo ${{ steps.docker_build.outputs.digest }}

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