🔧 CI: migrate from Vagrant/macOS to Docker/Ubuntu multi-arch

Replace Vagrant-based CI with Docker-based testing due to nested virtualization
not being supported on GitHub-hosted runners. Vagrant/VirtualBox requires nested
virtualization which fails on both macOS and Ubuntu cloud VMs, making VM-based CI
impossible. Docker containers provide a viable alternative that works on GitHub's
infrastructure.

Switch from macOS to Ubuntu runners (`ubuntu-latest` and `ubuntu-24.04-arm`) to enable
multi-architecture testing on both `x86_64` and ARM64. Add docker-ci inventory host
and `ci_skip` tags for Docker-incompatible tasks (GUI) or roles that are already tested
elsewhere. Make the AiiDA daemon service conditional on platform to avoid `systemd`
failures in containers.

This enables CI that actually tests Ansible provisioning instead of just
initialization, while validating architecture-specific package filtering works
correctly on both platforms. Vagrant-based issues should be easily detected building
locally.

Author: mbercx

.github/workflows/build-init.yml

@@ -5,38 +5,56 @@ on:
   push:
     branches: [main]
   pull_request:
+    types: [opened, synchronize, reopened, ready_for_review]
     paths-ignore: ["docs/**"]
 jobs:
   build-init:
-    # this job initialises the vagrant box
-    # then just runs some initial ansible tasks
-    # for the full build,  see build.yml
-    runs-on: macos-latest
-    env:
-      VAGRANT_NO_GUI: true
-      VAGRANT_ON_GH: true
+    if: github.event.pull_request.draft == false
+    # this job tests ansible provisioning in Docker containers
+    # Tests on both ARM64 and AMD64 architectures using Ubuntu runners
+    runs-on: ${{ matrix.os }}
+    strategy:
+      matrix:
+        os: [ubuntu-latest, ubuntu-24.04-arm]
 
     steps:
     - uses: actions/checkout@v4
-    - name: set up Python
+
+    - name: Set up Python
       uses: actions/setup-python@v5
       with:
-        python-version: 3.9
+        python-version: 3.13
 
-    - name: install pip requirements
+    - name: Install pip requirements
       run: |
         pip install --upgrade pip
         pip install wheel
         pip install -r requirements.txt
 
-    - name: install ansible requirements
+    - name: Install Ansible requirements
       run: ansible-galaxy install -r requirements.yml
 
-    - name: Build Vagrant Box
-      run: ANSIBLE_ARGS="--tags init,ci_test" vagrant up
+    - name: Install Docker collection for CI
+      run: ansible-galaxy collection install community.docker
+
+    - name: Start Ubuntu Docker container
+      run: |
+        docker run -d --name quantum-mobile \
+          -v ${{ github.workspace }}:/workspace \
+          ubuntu:24.04 \
+          sleep infinity
+
+    - name: Prepare container for Ansible
+      run: docker exec quantum-mobile bash -c "apt-get update && apt-get install -y python3 sudo"
+
+    - name: Run Ansible provisioning
+      run: ansible-playbook -v --limit docker-ci -e build_hosts=docker-ci --skip-tags ci_skip playbook-build.yml
+      env:
+        ANSIBLE_CALLBACKS_ENABLED: ansible.posix.profile_tasks
 
     - name: Archive ansible log
+      if: always()
       uses: actions/upload-artifact@v4
       with:
-        name: ansible-log
+        name: ansible-log-${{ matrix.os }}
         path: ansible.log

inventory.yml

@@ -67,6 +67,13 @@ all:
       ansible_ssh_common_args: "-F vagrant-ssh"
       ansible_user: vagrant
 
+    docker-ci:
+      cloud_platform: docker
+      ansible_connection: community.docker.docker
+      ansible_host: quantum-mobile
+      ansible_user: root
+      ansible_python_interpreter: /usr/bin/python3
+
     docker:
       # see playbook-docker.yml to start container
       cloud_platform: docker

playbook-build.yml

@@ -60,14 +60,14 @@
     ansible.builtin.import_tasks: local/tasks/customise-bash.yml
 
   - name: Install common text editors
-    tags: [editors]
+    tags: [editors, ci_skip]
     ansible.builtin.import_role:
       name: marvel-nccr.editors
     vars:
       editors_vm_user: "{{ vm_user }}"
 
   - name: Add desktop GUI
-    tags: [ubuntu_desktop]
+    tags: [ubuntu_desktop, ci_skip]
     when: not vm_headless
     become: true
     block:
@@ -91,7 +91,7 @@
         ubuntu_desktop_wm_package: "{{ vm_wm_package }}"
 
   - name: Customise GUI for QM
-    tags: [customise-gui]
+    tags: [customise-gui, ci_skip]
     when: not vm_headless
     become: true
     become_user: "{{ vm_user }}"
@@ -128,7 +128,7 @@
       packages: [grace, xcrysden, default-jre]
 
   - name: Install SLURM service
-    tags: [slurm]
+    tags: [slurm, ci_skip]
     ansible.builtin.import_role:
       name: marvel-nccr.slurm
 
@@ -250,10 +250,10 @@
         db_name: aiidadb
         db_username: aiida
         db_password: "ne9N_LDK-*JSS"
-      daemon_service: true
+      daemon_service: "{{ cloud_platform is not defined or cloud_platform != 'docker' }}"
 
   - name: Create AiiDA Jupyter service
-    tags: [aiida-jupyter]
+    tags: [aiida-jupyter, ci_skip]
     become: true
     become_user: "{{ vm_user }}"
     ansible.builtin.import_tasks: local/tasks/aiida-jupyter.yml