nwchem_docker #845
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: nwchem_docker | |
| on: | |
| release: | |
| schedule: | |
| - cron: '0 2 * * *' | |
| repository_dispatch: | |
| types: [backend_automation] | |
| workflow_dispatch: | |
| jobs: | |
| docker_build: | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| include: | |
| - {folder: nwchem-dev, archs: linux/aarch64, fc: gfortran} | |
| - {folder: nwchem-dev, archs: linux/ppc64le, fc: gfortran} | |
| - {folder: nwchem-dev, archs: linux/arm/v7, fc: gfortran} | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 420 | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v4 | |
| with: | |
| repository: 'nwchemgit/nwchem-dockerfiles' | |
| fetch-depth: 5 | |
| - name: Setup cache | |
| id: setup-cache | |
| uses: actions/cache@v4 | |
| with: | |
| path: | | |
| ~/cache | |
| key: ${{ matrix.folder}}-${{ matrix.fc}}/${{ matrix.archs}}-nwchem-dockeractions-v002 | |
| - name: Qemu | |
| id: qemu | |
| uses: docker/setup-qemu-action@v3 | |
| with: | |
| image: tonistiigi/binfmt:qemu-v6.0.0-10 | |
| - name: Available platforms | |
| run: | | |
| echo ${{ steps.qemu.outputs.platforms }} | |
| docker images | |
| - name: Set up Docker Buildx | |
| uses: docker/setup-buildx-action@v3 | |
| with: | |
| driver-opts: | | |
| image=moby/buildkit:v0.10.4 | |
| - name: fetch cache | |
| if: (steps.setup-cache.outputs.cache-hit == 'true') && ( matrix.folder != 'helloworld' ) | |
| run: | | |
| cd ${{ matrix.folder }} | |
| if [[ -f ~/cache/libext.tar.bz2 ]]; then \ | |
| mkdir -p cache|| true ; \ | |
| rsync -av ~/cache/libext* cache/. ; \ | |
| echo "libext cache fetched" ; \ | |
| fi | |
| echo "cache_hit=Y" >> $GITHUB_ENV | |
| - name: negative-cache-hit-reporter | |
| if: (steps.setup-cache.outputs.cache-hit != 'true') | |
| run: | | |
| echo "cache_hit=N" >> $GITHUB_ENV | |
| - name: build_schedule | |
| uses: docker/build-push-action@v5 | |
| with: | |
| push: false | |
| context: ${{ matrix.folder }} | |
| platforms: ${{ matrix.archs }} | |
| outputs: type=docker,dest=/tmp/nwchem_image.tar | |
| tags: nwchem_image | |
| build-args: | | |
| FC=${{ matrix.fc }} | |
| CACHE_HIT=${{ env.cache_hit }} | |
| NWCHEM_BRANCH=${{ github.ref_name }} | |
| GITHUB_REPOSITORY_OWNER=${{ github.repository_owner }} | |
| - name: store cache | |
| run: | | |
| mkdir -p ~/cache/ | |
| ls -l /tmp/nwchem_image.tar || true | |
| docker load --input /tmp/nwchem_image.tar | |
| docker images | |
| docker inspect nwchem_image | |
| docker run --privileged --user 0 --rm --platform ${{matrix.archs }} \ | |
| --entrypoint='/bin/cp' -v ~/cache:/data \ | |
| nwchem_image \ | |
| -rp /opt/nwchem/src/libext/libext.tar.bz2 /data/. || true | |
| ls -Ralrt ~/cache || true |