[TMP] test build

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

.github/workflows/build-vagrant.yml

@@ -28,7 +28,7 @@ jobs:
     - name: set up Python
       uses: actions/setup-python@v5
       with:
-        python-version: 3.9
+        python-version: 3.13
 
     - name: install pip requirements
       run: |

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

@@ -1,8 +1,6 @@
 ---
 - name: Prepare for VM build
-
   hosts: "{{ build_hosts | default('vagrant-ssh') }}"
-  gather_facts: false
 
   pre_tasks:
   - name: Test configuration
@@ -17,21 +15,14 @@
 
   # Install headers for guest-additions. Use kernel-specific package because
   # linux-headers-generic can be broken on ARM64 (depends on non-existent version).
-  - name: Get kernel version
-    tags: [init]
-    when: "inventory_hostname.startswith('vagrant')"
-    ansible.builtin.command: uname -r
-    register: uname
-    changed_when: false
-
   - name: Install linux-headers for guest-additions
     tags: [init]
     when: "inventory_hostname.startswith('vagrant')"
     become: true
     ansible.builtin.apt:
       update_cache: true
       cache_valid_time: 86400
-      name: "linux-headers-{{ uname.stdout }}"
+      name: "linux-headers-{{ ansible_kernel }}"
 
   - name: Make local dist folder
     tags: [init]
@@ -53,17 +44,21 @@
   - name: Update system package managers (apt, pip)
     tags: [init]
     ansible.builtin.include_tasks: local/tasks/ensure-apt-pip.yml
+
   - name: "Add QM user '{{ vm_user }}'"
-    tags: [add_user, ci_test]
+    tags: [add_user]
     ansible.builtin.import_tasks: local/tasks/add-qm-user.yml
+
   - name: "Add release notes section for the operating system"
     tags: [release_notes]
     ansible.builtin.import_tasks: local/tasks/release-notes-system.yml
+
   - name: Customise bash terminal for QM
     tags: [customise-bash]
     become: true
     become_user: "{{ vm_user }}"
     ansible.builtin.import_tasks: local/tasks/customise-bash.yml
+
   - name: Install common text editors
     tags: [editors]
     ansible.builtin.import_role:
@@ -72,7 +67,7 @@
       editors_vm_user: "{{ vm_user }}"
 
   - name: Add desktop GUI
-    tags: [ubuntu_desktop]
+    tags: [ubuntu_desktop, ci_skip]
     when: not vm_headless
     become: true
     block:
@@ -96,7 +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 }}"
@@ -144,11 +139,13 @@
     become: true
     become_user: "{{ root_user }}"
     ansible.builtin.import_tasks: local/tasks/rabbitmq.yml
+
   - name: Install PostrgeSQL server service
     tags: [postgresql]
     become: true
     become_user: "{{ root_user }}"
     ansible.builtin.import_tasks: local/tasks/postgresql.yml
+
   - name: Install conda+mamba
     tags: [conda]
     ansible.builtin.import_role:
@@ -178,15 +175,20 @@
     # note here we specify exact versions of libxc/openmpi/mpich
     # this is because we want conda to re-use as many packages as possible
     # since re-used packages do not incur more disk memory usage
-    # - {name: abinit, pkgs: [abinit=9, libxc=4.3.4, mpich=4.0.3]}
-    # - {name: cp2k, pkgs: [cp2k=9.*=*openmpi*, libxc=5.2.3, openmpi=4.1.2]}
-    # - {name: fleur, pkgs: [fleur=6, libxc=5.2.3, openmpi=4.1.2]}
+    # Architecture support: x86_64 only
+    - { name: abinit, pkgs: [abinit=9, libxc=4.3.4, mpich=4.0.3], arch: [x86_64] }
+    - { name: cp2k, pkgs: [cp2k=9.*=*openmpi*, libxc=5.2.3, openmpi=4.1.2], arch: [x86_64] }
+    - { name: fleur, pkgs: [fleur=6, libxc=5.2.3, openmpi=4.1.2], arch: [x86_64] }
+    - { name: wannier90, pkgs: [wannier90=3, libxc=5.2.3, openmpi=4.1.2], arch: [x86_64] }
+    # Architecture support: x86_64 and aarch64
     - { name: nwchem, pkgs: [nwchem] }
     - { name: qespresso, pkgs: [qe] }
-    # - {name: siesta, pkgs: [siesta, libxc=5.2.3, openmpi=4.1.2]}
     - { name: yambo, pkgs: [yambo] }
-    # - {name: wannier90, pkgs: [wannier90=3, libxc=5.2.3, openmpi=4.1.2]}
     - { name: visualise, pkgs: [jmol, gnuplot] }
+    # Note: siesta supports x86_64 and osx-arm64 but NOT linux-aarch64
+    # Uncomment if needed, but will fail on linux-aarch64
+    # - {name: siesta, pkgs: [siesta, libxc=5.2.3, openmpi=4.1.2], arch: [x86_64]}
+    when: item.arch is not defined or ansible_architecture in item.arch
     loop_control:
       label: "{{ item.name }}"
 
@@ -222,7 +224,7 @@
       content: 'eval "$(_VERDI_COMPLETE=bash_source verdi)"'
       mode: "0644"
 
-  - name: Create an aiida-profile
+  - name: Create an aiida-profile (full with PostgreSQL)
     tags: [aiida-profile]
     become: true
     become_user: "{{ vm_user }}"
@@ -241,13 +243,24 @@
         db_name: aiidadb
         db_username: aiida
         db_password: "ne9N_LDK-*JSS"
-      daemon_service: true
+      daemon_service: "{{ inventory_hostname != 'docker-ci' }}"
+
+  # Alternative: CI lightweight profile with SQLite (if PostgreSQL doesn't work)
+  # - name: Create an aiida-profile (CI lightweight with SQLite)
+  #   when: inventory_hostname == 'docker-ci'
+  #   become: true
+  #   become_user: "{{ vm_user }}"
+  #   ansible.builtin.shell: |
+  #     ~/.conda/bin/conda run -n {{ aiida_conda_env }} verdi presto -p {{ aiida_profile }}
+  #   args:
+  #     creates: "~/.aiida/config.json"
 
   - 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
+
   - name: "Create AiiDA computers"
     tags: [aiida-computers]
     become: true