Merge pull request #2360 from nd-02110114/fix-docker-setting (144ae446) · Commits · 钟慕尧 / deepchem

.github/workflows/main.yml

+34 −1

Original line number	Diff line number	Diff line
		@@ -145,7 +145,7 @@ jobs:
		with:
		file: ./coverage.xml

		deploy:
		pypi-build:
		if: github.event_name == 'push' && github.ref == 'refs/heads/master'
		needs: [build]
		runs-on: ubuntu-latest
		@@ -166,3 +166,36 @@ jobs:
		run: \|
		python setup.py sdist bdist_wheel
		twine upload dist/*

		docker-build:
		if: github.event_name == 'push' && github.ref == 'refs/heads/master'
		needs: [build, pypi-build]
		runs-on: ubuntu-latest
		steps:
		- uses: actions/checkout@v2
		- name: Set up Docker Buildx
		id: buildx
		uses: docker/setup-buildx-action@master
		- name: Cache Docker layers
		uses: actions/cache@v2
		with:
		path: /tmp/.buildx-cache
		key: ${{ runner.os }}-buildx-${{ github.sha }}
		restore-keys: ${{ runner.os }}-buildx-
		- name: Login to DockerHub
		uses: docker/login-action@v1
		with:
		username: ${{ secrets.DOCKER_HUB_USERNAME }}
		password: ${{ secrets.DOCKER_HUB_ACCESS_TOKEN }}
		- name: Build and push
		id: docker_build
		uses: docker/build-push-action@v2
		with:
		builder: ${{ steps.buildx.outputs.name }}
		context: ./docker/nightly
		push: true
		tags: deepchemio/deepchem:latest
		cache-from: type=local,src=/tmp/.buildx-cache
		cache-to: type=local,dest=/tmp/.buildx-cache
		- name: Image digest
		run: echo ${{ steps.docker_build.outputs.digest }}

+25 −3

Original line number	Diff line number	Diff line
		name: Release PyPI packages
		name: Release
		on:
		push:
		tags:
		- '*' # ci work when pushing a tag
		jobs:
		release:
		pypi:
		runs-on: ubuntu-latest
		strategy:
		fail-fast: false
		matrix:
		python-version: [3.7]
		steps:
		@@ -41,3 +40,26 @@ jobs:
		run: \|
		python setup.py sdist bdist_wheel --release
		twine upload dist/*

		docker:
		needs: [pypi]
		runs-on: ubuntu-latest
		steps:
		- uses: actions/checkout@v2
		- name: Get the tag version
		id: get_tag_version
		run: echo ::set-output name=VERSION::${GITHUB_REF#refs/tags/}
		- name: Login to DockerHub
		uses: docker/login-action@v1
		with:
		username: ${{ secrets.DOCKER_HUB_USERNAME }}
		password: ${{ secrets.DOCKER_HUB_ACCESS_TOKEN }}
		- name: Build and push
		id: docker_build
		uses: docker/build-push-action@v2
		with:
		context: ./docker/tag
		push: true
		tags: deepchemio/deepchem:${{ steps.get_tag_version.outputs.VERSION }}
		- name: Image digest
		run: echo ${{ steps.docker_build.outputs.digest }}

+2 −2

Original line number	Diff line number	Diff line
		@@ -92,11 +92,11 @@ DockerHub : https://hub.docker.com/repository/docker/deepchemio/deepchem
		- `deepchemio/deepchem:x.x.x`
		- Image built by using a conda (x.x.x is a version of deepchem)
		- The x.x.x image is built when we push x.x.x. tag
		- Dockerfile is put in `docker/conda-forge` directory
		- Dockerfile is put in `docker/tag` directory
		- `deepchemio/deepchem:latest`
		- Image built from source codes
		- The latest image is built every time we commit to the master branch
		- Dockerfile is put in `docker/master` directory
		- Dockerfile is put in `docker/nightly` directory

		You pull the image like this.

+0 −0

File moved.

+2 −2

Original line number	Diff line number	Diff line
		@@ -18,8 +18,8 @@ RUN conda update -n base conda && \
		conda create -y --name deepchem python=3.6 && \
		. /miniconda/etc/profile.d/conda.sh && \
		conda activate deepchem && \
		pip install tensorflow==2.3.* && \
		conda install -c conda-forge rdkit deepchem==2.4.0 && \
		pip install tensorflow==2.3.* deepchem && \
		conda install -c conda-forge rdkit && \
		conda clean -afy && \
		rm -rf ~/.cache/pip