nwchem_docker #1039
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| 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@v6 | |
| 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 |