🧪 TEST: Start molecule container with systemd as PID1 (#62)

This allows for the tests to run in an environment more closely representing that of the Quantum Mobile VM, and won't skip all the systemd specific tasks.

defaults/main.yml

@@ -23,7 +23,7 @@ aiida_install_packages:
 - reentry~=1.3
 - fastentrypoints~=0.12
 - ipykernel  # required to add the venv as a kernel
-- numpy~=1.17  # required for pymatgen install (to build c-extesions)
+- numpy~=1.17  # required for pymatgen install (see https://github.com/aiidateam/aiida-core/issues/4614)
 # these are additional to those extracted from aiida-core and its extras
 aiida_extra_packages: []
 aiida_jupyter_packages:

molecule/default/converge.yml

@@ -10,12 +10,14 @@
     vars:
       nodejs_version: 12.x
       nodejs_install_npm_user: root
+
   - name: Create dummy pw executable
     copy:
       content: ""
       dest: /usr/bin/pw.x
       force: no
       mode: 0666
+
   - include_role:
       name: marvel-nccr.aiida
     vars:
@@ -27,6 +29,5 @@
         folder: "/usr/bin"
         executable: "pw.x"
         plugin: quantumespresso.pw
-      # dashes used to break systemd templates for daemon/rest api
-      aiida_profile_name: name-with-dashes
+      aiida_profile_name: name-with-dashes  # use dashes to check systemd compatibility
       vm_headless: false  # test creation of desktop shortcut

molecule/default/molecule.yml

@@ -6,7 +6,8 @@ driver:
 platforms:
 - name: instance
   image: "marvelnccr/docker-${MOLECULE_DISTRO:-ubuntu1804}-ansible:latest"
-  command: "${MOLECULE_DOCKER_COMMAND:-sleep infinity}"
+  # by default the container will initialise with systemd as PID1
+  command: ${MOLECULE_DOCKER_COMMAND:-""}
   volumes:
   - /sys/fs/cgroup:/sys/fs/cgroup:ro
   privileged: true

tasks/aiida-core.yml

@@ -110,6 +110,7 @@
     value: >-
       AiiDA is installed in a Python {{ aiida_python_version }} venv: {{ aiida_venv }}.
       Type 'workon aiida' to get access to the 'verdi' commands.
+      See https://aiidateam.github.io/aiida-registry for plugin information.
 
 - name: Document plugins
   when: release_notes is defined and release_notes

tasks/aiida-daemon.yml

@@ -19,22 +19,22 @@
     daemon_aiida_venv: "{{ aiida_venv |  regex_replace('\\$\\{HOME}', current_user_home) }}"
   when: ansible_service_mgr == "systemd"
 
-- name: Start AiiDA Daemon system service
+- name: Start AiiDA Daemon system service (systemd)
   become: true
   become_user: "{{ root_user }}"
   systemd:
     name: aiida-daemon@{{ aiida_profile_name }}
     enabled: true
     masked: false
     daemon-reload: true
-    state: restarted
+    state: started
   when: ansible_service_mgr == "systemd"
 
 - block:
   - name: Check if the AiiDA daemon is running
     command: "{{ aiida_venv }}/bin/verdi -p {{ aiida_profile_name }} daemon status"
     changed_when: false
   rescue:
-  - name: Start AiiDA Daemon
+  - name: Start AiiDA Daemon (non-systemd)
     command: "{{ aiida_venv }}/bin/verdi -p {{ aiida_profile_name }} daemon start"
   when: ansible_service_mgr != "systemd"

tasks/aiida-deps-rhel.yml

@@ -102,7 +102,6 @@
   command: "{{ aiida_postgres_bin_location }}/initdb {{ aiida_postgres_data_location }}"
   args:
     creates: "{{ aiida_postgres_data_location }}/pg_hba.conf"
-  when: ansible_service_mgr != "systemd"
 
 # Avoid password on postgres, fix in future so that we can use md5
 - name: put a trust configured pg_hba in place of the default

tasks/aiida-prepare.yml

@@ -1,22 +1,22 @@
 - name: Start services for systemd
   when: ansible_service_mgr == "systemd"
   block:
-  - name: Start Postgresql service
+  - name: Start Postgresql service (systemd)
     become: true
     become_user: "{{ root_user }}"
     service:
       name: "postgresql"
       state: "started"
       enabled: true
   # see https://github.com/marvel-nccr/quantum-mobile/issues/111
-  - name: Ensure correct RabbitMQ shutdown
+  - name: Ensure correct RabbitMQ shutdown (systemd)
     become: true
     become_user: "{{ root_user }}"
     lineinfile:
       path: /lib/systemd/system/rabbitmq-server.service
       regexp: ExecStop=/usr/sbin/rabbitmqctl stop
       line: ExecStop=/usr/sbin/rabbitmqctl shutdown
-  - name: Start RabbitMQ service
+  - name: Start RabbitMQ service (systemd)
     become: true
     become_user: "{{ root_user }}"
     service:
@@ -31,7 +31,7 @@
     shell: pgrep postgres
     changed_when: false
   rescue:
-  - name: Start Postgresql
+  - name: Start Postgresql (non-systemd)
     become: true
     become_user: "{{ aiida_postgres_user }}"
     command: "{{ aiida_postgres_bin_location }}/pg_ctl start -D {{ aiida_postgres_data_location }} -s -o '-p 5432' -w -t 300"
@@ -43,7 +43,7 @@
     shell: pgrep rabbitmq
     changed_when: false
   rescue:
-  - name: Start RabbitMQ
+  - name: Start RabbitMQ (non-systemd)
     become: true
     become_user: "{{ root_user }}"
     shell: rabbitmq-server > /dev/null 2>&1 &