Devops: Upgrade uv>=v0.7.6 and astral-sh/setup-uv@v6 (#6887)

---------

Co-authored-by: Daniel Hollas <[email protected]>

Author: agoscinski

.github/actions/install-aiida-core/action.yml

@@ -14,9 +14,6 @@ inputs:
     required: false
   # NOTE: Hard-learned lesson: we cannot use type=boolean here, apparently :-(
   # https://stackoverflow.com/a/76294014
-  # NOTE2: When installing from lockfile, aiida-core and its dependencies
-  # are installed in a virtual environment located in .venv directory.
-  # Subsuquent jobs steps must either activate the environment or use `uv run`
   from-lock:
     description: Install aiida-core dependencies from uv lock file
     default: 'true'
@@ -31,10 +28,11 @@ runs:
       python-version: ${{ inputs.python-version }}
 
   - name: Set up uv
-    uses: astral-sh/setup-uv@v5.2.1
+    uses: astral-sh/setup-uv@v6
     with:
-      version: 0.5.22
+      version: 0.7.6
       python-version: ${{ inputs.python-version }}
+      activate-environment: true
 
   - name: Install dependencies from uv lock
     if: ${{ inputs.from-lock == 'true' }}

.github/workflows/benchmark.yml

@@ -60,7 +60,7 @@ jobs:
         from-lock: 'true'
 
     - name: Run benchmarks
-      run: uv run pytest --db-backend psql --benchmark-only --benchmark-json benchmark.json tests/
+      run: pytest --db-backend psql --benchmark-only --benchmark-json benchmark.json tests/
 
     - name: Store benchmark result
       uses: aiidateam/github-action-benchmark@v3

.github/workflows/ci-code.yml

@@ -110,7 +110,7 @@ jobs:
     - name: Run test suite
       env:
         AIIDA_WARN_v3: 0
-      run: uv run pytest -n auto -m 'presto' tests/
+      run: pytest -n auto -m 'presto' tests/
 
 
   verdi:

.github/workflows/nightly.yml

@@ -127,16 +127,16 @@ jobs:
         from-lock: 'true'
 
     - name: Setup SSH on localhost
-      run: source .venv/bin/activate && .github/workflows/setup_ssh.sh
+      run: .github/workflows/setup_ssh.sh
 
     - name: Suppress RabbitMQ version warning
-      run: uv run verdi config set warnings.rabbitmq_version False
+      run: verdi config set warnings.rabbitmq_version False
 
     - name: Run tests
       id: tests
       env:
         AIIDA_WARN_v3: 0
-      run: uv run pytest -s --db-backend sqlite -m 'requires_rmq' tests/
+      run: pytest -s --db-backend sqlite -m 'requires_rmq' tests/
 
     - name: Slack notification
       # Always run this step (otherwise it would be skipped if any of the previous steps fail) but only if the

.pre-commit-config.yaml

@@ -57,7 +57,7 @@ repos:
       )$
 
 - repo: https://github.com/astral-sh/uv-pre-commit
-  rev: 0.5.22
+  rev: 0.7.6
   hooks:
     # Check and update the uv lockfile
   - id: uv-lock

.readthedocs.yml

@@ -17,8 +17,8 @@ build:
     # https://docs.readthedocs.io/en/stable/build-customization.html#install-dependencies-with-uv
     pre_create_environment:
     - asdf plugin add uv
-    - asdf install uv 0.5.22
-    - asdf global uv 0.5.22
+    - asdf install uv 0.7.6
+    - asdf global uv 0.7.6
     create_environment:
     # Create a virtual environment in '.venv/' folder
     # which is picked up automatically by `uv sync` and `uv run` commands below

pyproject.toml

@@ -535,4 +535,4 @@ commands = molecule {posargs:test}
 # .pre-commit-config.yaml
 # .github/actions/install-aiida-core/action.yml
 # .readthedocs.yml
-required-version = ">=0.5.21"
+required-version = ">=0.7.0"