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continuous-integration-workflow.yml
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name: CI
on:
push:
branches:
- master
pull_request:
branches:
- master
schedule:
- cron: '0 1 * * FRI'
concurrency:
group: ${ {github.event_name }}-${{ github.workflow }}-${{ github.ref }}
cancel-in-progress: ${{github.event_name == 'pull_request'}}
jobs:
CI:
continue-on-error: ${{ matrix.config.continue-on-error == 'true' }}
strategy:
matrix:
config:
- {dockerfile: 'fedora', tag: 'gmxpkg'}
- {dockerfile: 'fedora', tag: 'rawhide', build_args: 'TAG=rawhide,PYTHON=python3.13', continue-on-error: 'true'}
- {dockerfile: 'ubuntu', tag: 'latest'}
- {dockerfile: 'ubuntu', tag: 'intel', build_args: 'TAG=22.04,INTEL=yes', continue-on-error: 'true'}
- {dockerfile: 'ubuntu', tag: 'rolling', build_args: 'TAG=rolling'}
- {dockerfile: 'ubuntu', tag: 'devel', build_args: 'TAG=devel', continue-on-error: 'true'}
- {dockerfile: 'opensuse', tag: 'latest', continue-on-error: 'true'}
- {dockerfile: 'fedora', tag: 'latest-amd64', build_args: 'GMX_BRANCH=release-2019,GMX_DOUBLE=ON'}
- {dockerfile: 'fedora', tag: 'latest-arm64', build_args: 'GMX_BRANCH=release-2019,GMX_DOUBLE=ON', arm: 'true'}
- {dockerfile: 'fedora', tag: 'gmx2019', build_args: 'GMX_BRANCH=release-2019'}
- {dockerfile: 'fedora', tag: 'gmx2025_d', build_args: 'GMX_BRANCH=release-2025,GMX_DOUBLE=ON'}
- {dockerfile: 'fedora', tag: 'gmx2025', build_args: 'GMX_BRANCH=release-2025'}
- {dockerfile: 'fedora', tag: 'gmx9999_d', build_args: 'GMX_BRANCH=main,GMX_DOUBLE=ON', continue-on-error: 'true'}
- {dockerfile: 'fedora', tag: 'gmx9999', build_args: 'GMX_BRANCH=main', continue-on-error: 'true'}
- {dockerfile: 'fedora', tag: 'nogmx', build_args: 'GMX_BRANCH=none'}
- {dockerfile: 'actions', tag: 'latest'}
- {dockerfile: 'format', tag: 'latest'}
runs-on: ${{ matrix.config.arm == 'true' && 'ubuntu-24.04-arm' || 'ubuntu-latest' }}
steps:
- name: Set up Docker Buildx
uses: docker/setup-buildx-action@v3
with:
# workaround for issue with sudo in docker-in-docker docker/build-push-action#1302
driver: docker
- name: Login to Gitlab Container Registry
if: github.repository_owner == 'votca' && ( github.event_name == 'push' || github.event_name == 'schedule' )
uses: docker/login-action@v3
with:
registry: registry.gitlab.com
username: ${{ secrets.GITLAB_REGISTRY_USERNAME }}
password: ${{ secrets.GITLAB_REGISTRY_TOKEN }}
- name: Login to Github Container Registry
if: github.repository_owner == 'votca' && ( github.event_name == 'push' || github.event_name == 'schedule' )
uses: docker/login-action@v3
with:
registry: ghcr.io
username: ${{ github.actor }}
password: ${{ secrets.GITHUB_TOKEN }}
- name: Convert build_args
id: build_args
run: |
echo "args<<EOF" >> $GITHUB_OUTPUT
echo ${{ matrix.config.build_args }} | sed 's/,/\n/g' >> $GITHUB_OUTPUT
echo "EOF" >> $GITHUB_OUTPUT
- name: Build and Push Docker images for all Container Registries
uses: docker/build-push-action@v6
with:
tags: |
registry.gitlab.com/votca/buildenv/${{ matrix.config.dockerfile }}:${{ matrix.config.tag }}
ghcr.io/votca/buildenv/${{ matrix.config.dockerfile }}:${{ matrix.config.tag }}
file: ${{ matrix.config.dockerfile }}
build-args: ${{ steps.build_args.outputs.args }}
pull: true
push: ${{ github.repository_owner == 'votca' && ( github.event_name == 'push' || github.event_name == 'schedule' ) }}
merge-docker-manifest:
runs-on: ubuntu-latest
needs: CI
steps:
- name: Login to Gitlab Container Registry
uses: docker/login-action@v3
with:
registry: registry.gitlab.com
username: ${{ secrets.GITLAB_REGISTRY_USERNAME }}
password: ${{ secrets.GITLAB_REGISTRY_TOKEN }}
- name: Login to Github Container Registry
if: github.repository_owner == 'votca' && ( github.event_name == 'push' || github.event_name == 'schedule' )
uses: docker/login-action@v3
with:
registry: ghcr.io
username: ${{ github.actor }}
password: ${{ secrets.GITHUB_TOKEN }}
- name: Create and push manifest images to Github Container Registry
if: github.repository_owner == 'votca' && ( github.event_name == 'push' || github.event_name == 'schedule' )
uses: Noelware/docker-manifest-action@master # or use a pinned version in the Releases tab
with:
inputs: ghcr.io/votca/buildenv/fedora:latest
images: ghcr.io/votca/buildenv/fedora:latest-amd64,ghcr.io/votca/buildenv/fedora:latest-arm64
push: ${{ github.repository_owner == 'votca' && ( github.event_name == 'push' || github.event_name == 'schedule' ) }}
- name: Create and push manifest images to GitLab Container Registry
if: github.repository_owner == 'votca' && ( github.event_name == 'push' || github.event_name == 'schedule' )
uses: Noelware/docker-manifest-action@master # or use a pinned version in the Releases tab
with:
inputs: registry.gitlab.com/votca/buildenv/fedora:latest
images: registry.gitlab.com/votca/buildenv/fedora:latest-amd64,registry.gitlab.com/votca/buildenv/fedora:latest-arm64
push: ${{ github.repository_owner == 'votca' && ( github.event_name == 'push' || github.event_name == 'schedule' ) }}