Option to disable rotation in initial guess (#486) #59
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: Singularity Build (docker) | |
| on: | |
| push: | |
| branches: | |
| - master | |
| release: | |
| types: | |
| - published | |
| jobs: | |
| build-test-containers: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| # Keep going on other deployments if anything bloops | |
| fail-fast: false | |
| matrix: | |
| singularity_version: | |
| - '3.9.2' | |
| program: | |
| - 'mrchem' | |
| variant: | |
| - 'nompi' | |
| - 'openmpi4.0' | |
| container: | |
| image: quay.io/singularity/singularity:v${{ matrix.singularity_version }} | |
| options: --privileged | |
| name: Build ${{ matrix.program }}-${{ matrix.variant }} | |
| steps: | |
| - name: Check out code for the container builds | |
| uses: actions/checkout@v2 | |
| - name: Build container | |
| env: | |
| image_name: ${{ matrix.program }}_${{ matrix.variant }} | |
| recipe_name: Singularity.${{ matrix.variant }} | |
| run: | | |
| echo "Building ${{ matrix.program }} ${{ matrix.variant }}" | |
| echo "GITHUB_REF: ${GITHUB_REF}" | |
| echo "GITHUB_SHA: ${GITHUB_SHA}" | |
| echo "GITHUB_EVENT_NAME: $GITHUB_EVENT_NAME" | |
| echo "IMAGE_NAME=$image_name" >> $GITHUB_ENV | |
| # build container | |
| sudo -E singularity build container.sif recipes/"$recipe_name" | |
| # determine release tag | |
| if [[ ${GITHUB_EVENT_NAME} == "release" ]]; then | |
| # give release events tag "vX.Y.Z" (GITHUB_REF=refs/tags/vX.Y.Z) | |
| tag=$(basename $GITHUB_REF) | |
| else | |
| # give push events on master tag "latest" | |
| tag="latest" | |
| fi | |
| # Build the container and name by tag | |
| echo "TAG=$tag" >> $GITHUB_ENV | |
| - name: Login and deploy container | |
| run: | | |
| echo ${{ secrets.GITHUB_TOKEN }} | singularity remote login -u ${{ secrets.GHCR_USERNAME }} --password-stdin oras://ghcr.io | |
| echo "Pushing $IMAGE_NAME with tag $TAG" | |
| singularity push container.sif oras://ghcr.io/${GITHUB_REPOSITORY}/${IMAGE_NAME}:${TAG} |