prod-envs-docker.yml

---
# deployment of qcarchive prod environments for docker deployments

name: Deployment - QCArchive Prod Docker Environments

on:
  # run once prod env deployments are in place
  workflow_run:
    workflows: ["Deployment - QCArchive Prod Environments"]
    branches: [master]
    types:
      - completed
  workflow_dispatch:

jobs:
  build-deploy-docker:
    runs-on: ubuntu-latest
    strategy:
      fail-fast: false
      matrix:
        env-name:
          #- qcarchive-worker-openff-ani
          - qcarchive-worker-openff-openmm
          - qcarchive-worker-openff-psi4
          - qcarchive-worker-openff-xtb
    steps:
      - name: Checkout code
        uses: nschloe/action-cached-lfs-checkout@v1

      - name: ensure we only have one instance running
        uses: softprops/turnstyle@v1
        env:
          GITHUB_TOKEN: ${{ secrets.GH_DANGERBOT_TOKEN_LIMITED }}
        with:
          abort-after-seconds: 60

      - name: Inject environment name into Dockerfile
        shell: bash
        env:
          ENV_NAME: ${{ matrix.env-name }}
          BUILD_DIR: ./devtools/docker/qcarchive-worker-openff
        run: |
            mkdir ${BUILD_DIR}/tmp/

            envsubst < ${BUILD_DIR}/Dockerfile > ${BUILD_DIR}/tmp/Dockerfile
            cat ${BUILD_DIR}/tmp/Dockerfile

      - name: Build and push Docker images
        uses: docker/build-push-action@v1
        with:
          path: ./devtools/docker/qcarchive-worker-openff/tmp/
          username: ${{ secrets.DOCKERHUB_USERNAME }}
          password: ${{ secrets.DOCKERHUB_PASSWORD }}
          repository: openforcefield/${{ matrix.env-name }}
          add_git_labels: true
          tag_with_ref: true
          tag_with_sha: true