docker.yml

---
name: Build, test and push Docker Images

on:
    pull_request:
        paths-ignore:
            - "docs/**"
            - "tests/**"
    push:
        #branches:
        #    - main
        #tags:
        #    - "v*"
        paths-ignore:
            - "docs/**"
            - "tests/**"
    workflow_dispatch:

# https://docs.github.com/en/actions/using-jobs/using-concurrency
concurrency:
    # only cancel in-progress jobs or runs for the current workflow - matches against branch & tags
    group: ${{ github.workflow }}-${{ github.ref }}
    cancel-in-progress: true

jobs:
    amd64-build:
        runs-on: ubuntu-latest
        defaults:
            run:
              shell: bash
              working-directory: .docker

        steps:
            - name: Checkout Repo ⚡️
              uses: actions/checkout@v3
            - name: Set Up Python 🐍
              uses: actions/setup-python@v4
              with:
                  python-version: 3.x

            - name: Install Dev Dependencies 📦
              run: |
                  pip install --upgrade pip
                  pip install --upgrade -r requirements.txt

            - name: Build image 
              run: docker buildx bake -f docker-bake.hcl --set *.platform=linux/amd64 --load
              env:
                  # Full logs for CI build
                  BUILDKIT_PROGRESS: plain

            - name: Run tests ✅
              run: TAG=newly-baked python -m pytest -s tests

            - name: Docker meta 📝
              id: meta
              uses: docker/metadata-action@v4
              with:
                  images: |
                      name=ghcr.io/aiidateam/aiida-quantumespresso
                  tags: |
                      type=edge,enable={{is_default_branch}}
                      type=sha,enable=${{ github.ref_type != 'tag' }}
                      type=ref,event=pr
                      type=match,pattern=v(\d+\.\d+.\d+),group=1
                      type=raw,value={{tag}},enable=${{ startsWith(github.ref, 'refs/tags/v') }}

            - name: Login to Container Registry 🔑
              uses: docker/login-action@v2
              with:
                  registry: ghcr.io
                  username: ${{ github.actor }}
                  password: ${{ secrets.GITHUB_TOKEN }}

            - name: Set tags for image and push 🏷️📤💾
              run: |
                  declare -a arr=(${{ steps.meta.outputs.tags }})
                  for tag in "${arr[@]}"; do
                      docker tag aiidateam/aiida-quantumespresso:newly-baked ${tag}
                      docker push ${tag}
                  done