Add HDF5 support for trajs and model_devis (#259) #216

	# This workflow uses actions that are not certified by GitHub.
	# They are provided by a third-party and are governed by
	# separate terms of service, privacy policy, and support
	# documentation.

	name: Publish Docker image

	on:
	release:
	types: [published]
	push:
	branches:
	- 'master'

	jobs:
	push_to_registries:
	if: github.repository_owner == 'deepmodeling'
	name: Push Docker image to Docker Hub and ghcr
	runs-on: ubuntu-latest
	permissions:
	packages: write
	contents: read
	steps:
	- name: Check out the repo
	uses: actions/checkout@v4

	- name: Log in to Docker Hub
	uses: docker/login-action@9780b0c442fbb1117ed29e0efdff1e18412f7567
	with:
	username: ${{ secrets.DOCKER_USERNAME }}
	password: ${{ secrets.DOCKER_PASSWORD }}

	- name: Log in to the Container registry
	uses: docker/login-action@9780b0c442fbb1117ed29e0efdff1e18412f7567
	with:
	registry: ghcr.io
	username: ${{ github.actor }}
	password: ${{ secrets.GITHUB_TOKEN }}

	- name: Extract metadata (tags, labels) for Docker
	id: meta
	uses: docker/metadata-action@8e5442c4ef9f78752691e2d8f8d19755c6f78e81
	with:
	images: \|
	dptechnology/dpgen2
	ghcr.io/deepmodeling/dpgen2

	- name: Build and push Docker images
	uses: docker/build-push-action@5cd11c3a4ced054e52742c5fd54dca954e0edd85
	with:
	context: .
	push: true
	tags: ${{ steps.meta.outputs.tags }}
	labels: ${{ steps.meta.outputs.labels }}

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