Merge branch 'main' into feat/4955/color-verdi-process-list

.docker/aiida-core-base/s6-assets/init/aiida-prepare.sh

@@ -18,11 +18,6 @@ verdi config set warnings.development_version False
 # If the environment variable `SETUP_DEFAULT_AIIDA_PROFILE` is not set, set it to `true`.
 if [[ ${SETUP_DEFAULT_AIIDA_PROFILE:-true} == true ]] && ! verdi profile show ${AIIDA_PROFILE_NAME} &> /dev/null; then
 
-    # For the container that includes the services, this script is called as soon as the RabbitMQ startup script has
-    # been launched, but it can take a while for the service to come up. If ``verdi presto`` is called straight away
-    # it is possible it tries to connect to the service before that and it will configure the profile without a broker.
-    sleep 5
-
     # Create AiiDA profile.
     verdi presto \
         --verbosity info \

.docker/aiida-core-with-services/s6-assets/s6-rc.d/rabbitmq/data/check

@@ -0,0 +1,15 @@
+#!/bin/bash
+
+rabbitmq-diagnostics ping
+
+if [ $? -ne 0 ]; then
+    exit 1
+fi
+
+rabbitmq-diagnostics check_running
+
+if [ $? -ne 0 ]; then
+    exit 1
+fi
+
+exit 0

.docker/aiida-core-with-services/s6-assets/s6-rc.d/rabbitmq/notification-fd

@@ -0,0 +1 @@
+3

.docker/aiida-core-with-services/s6-assets/s6-rc.d/rabbitmq/run

@@ -2,5 +2,14 @@
 
 with-contenv
 
-foreground { s6-echo "Calling /etc/init/rabbitmq.sh" }
-rabbitmq-server
+foreground { s6-echo "Starting RMQ server and notifying back when the service is ready" }
+
+
+# For the container that includes the services, aiida-prepare.sh script is called as soon as the RabbitMQ startup script has
+# been launched, but it can take a while for the RMQ service to come up. If ``verdi presto`` is called straight away
+# it is possible it tries to connect to the service before that and it will configure the profile without a broker.
+# Here we use s6-notifyoncheck to do the polling healthy check of the readyness of RMQ service.
+#
+# -w 500: 500 ms between two invocations of ./data/check
+
+s6-notifyoncheck -w 500 rabbitmq-server

.github/config/profile.yaml

@@ -4,7 +4,7 @@ first_name: Giuseppe
 last_name: Verdi
 institution: Khedivial
 db_backend: core.psql_dos
-db_engine: postgresql_psycopg2
+db_engine: postgresql_psycopg
 db_host: localhost
 db_port: 5432
 db_name: test_aiida

.github/workflows/docker-build-test.yml

@@ -41,7 +41,7 @@ jobs:
       uses: docker/setup-buildx-action@v3
 
     - name: Build images
-      uses: docker/bake-action@v4
+      uses: docker/bake-action@v5
       with:
         # Load to Docker engine for testing
         load: true

.github/workflows/docker-build.yml

@@ -54,7 +54,7 @@ jobs:
 
     - name: Build and upload to ghcr.io 📤
       id: build
-      uses: docker/bake-action@v4
+      uses: docker/bake-action@v5
       with:
         push: true
         workdir: .docker/

.github/workflows/docker-publish.yml

@@ -59,6 +59,12 @@ jobs:
         vars=$(cat build.json | jq -c '[.variable | to_entries[] | {"key": .key, "value": .value.default}] | from_entries')
         echo "vars=$vars" | tee -a "${GITHUB_OUTPUT}"
 
+    - id: get-version
+      if: ${{ github.ref_type == 'tag'  && startsWith(github.ref_name, 'v') }}
+      run: |
+        tag="${{ github.ref_name }}"
+        echo "AIIDA_VERSION=${tag#v}" >> $GITHUB_OUTPUT
+
     - name: Docker meta
       id: meta
       uses: docker/metadata-action@v5
@@ -69,7 +75,7 @@ jobs:
           type=ref,event=pr
           type=ref,event=branch,enable=${{ github.ref_name != 'main' }}
           type=edge,enable={{is_default_branch}}
-          type=raw,value=aiida-${{ env.AIIDA_VERSION }},enable=${{ github.ref_type == 'tag'  && startsWith(github.ref_name, 'v') }}
+          type=raw,value=aiida-${{ steps.get-version.outputs.AIIDA_VERSION }},enable=${{ github.ref_type == 'tag'  && startsWith(github.ref_name, 'v') }}
           type=raw,value=python-${{ env.PYTHON_VERSION }},enable=${{ github.ref_type == 'tag' && startsWith(github.ref_name, 'v') }}
           type=raw,value=postgresql-${{ env.PGSQL_VERSION }},enable=${{ github.ref_type == 'tag' && startsWith(github.ref_name, 'v') }}
           type=match,pattern=v(\d{4}\.\d{4}(-.+)?),group=1

.github/workflows/release.yml

@@ -40,8 +40,9 @@ jobs:
     - name: Install aiida-core and pre-commit
       uses: ./.github/actions/install-aiida-core
       with:
-        python-version: '3.10'
+        python-version: '3.11'
         extras: '[pre-commit]'
+        from-requirements: 'false'
 
     - name: Run pre-commit
       run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )

.github/workflows/test-install.yml

@@ -229,7 +229,7 @@ jobs:
       env:
         AIIDA_TEST_PROFILE: test_aiida
         AIIDA_WARN_v3: 1
-      run: pytest --cov aiida --verbose tests -m 'not nightly'
+      run: pytest --verbose tests -m 'not nightly'
 
     - name: Freeze test environment
       run: pip freeze | sed '1d' | tee requirements-py-${{ matrix.python-version }}.txt

.pre-commit-config.yaml

@@ -26,7 +26,7 @@ repos:
     exclude: *exclude_pre_commit_hooks
 
 - repo: https://github.com/python-jsonschema/check-jsonschema
-  rev: 0.28.2
+  rev: 0.28.6
   hooks:
   - id: check-github-workflows
 
@@ -37,7 +37,7 @@ repos:
     args: [--line-length=120, --fail-on-change]
 
 - repo: https://github.com/astral-sh/ruff-pre-commit
-  rev: v0.4.1
+  rev: v0.5.0
   hooks:
   - id: ruff-format
     exclude: &exclude_ruff >
@@ -145,7 +145,6 @@ repos:
         src/aiida/orm/utils/builders/computer.py|
         src/aiida/orm/utils/calcjob.py|
         src/aiida/orm/utils/node.py|
-        src/aiida/orm/utils/remote.py|
         src/aiida/repository/backend/disk_object_store.py|
         src/aiida/repository/backend/sandbox.py|
         src/aiida/restapi/common/utils.py|