diff --git a/.github/actions/install-aiida-core/action.yml b/.github/actions/install-aiida-core/action.yml index 01cadce94..26e6cac96 100644 --- a/.github/actions/install-aiida-core/action.yml +++ b/.github/actions/install-aiida-core/action.yml @@ -7,8 +7,10 @@ inputs: default: '3.9' # Lowest supported version required: false extras: - description: aiida-core extras (including brackets) - default: '' + description: list of optional dependencies + # NOTE: The default 'pre-commit' extra recursively contains + # other extras needed to run the tests. + default: pre-commit required: false # NOTE: Hard-learned lesson: we cannot use type=boolean here, apparently :-( # https://stackoverflow.com/a/76294014 @@ -16,7 +18,7 @@ inputs: # 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 a uv lock file + description: Install aiida-core dependencies from uv lock file default: 'true' required: false @@ -29,19 +31,18 @@ runs: python-version: ${{ inputs.python-version }} - name: Set up uv - uses: astral-sh/setup-uv@v4 + uses: astral-sh/setup-uv@v5 with: - version: 0.5.6 + version: 0.5.x + python-version: ${{ inputs.python-version }} - name: Install dependencies from uv lock if: ${{ inputs.from-lock == 'true' }} # NOTE: We're asserting that the lockfile is up to date - # NOTE2: 'pre-commit' extra recursively contains other extras - # needed to run the tests. - run: uv sync --locked --extra pre-commit + run: uv sync --locked ${{ inputs.extras && format('--extra {0}', inputs.extras) || '' }} shell: bash - name: Install aiida-core if: ${{ inputs.from-lock != 'true' }} - run: uv pip install --system -e .${{ inputs.extras }} + run: uv pip install -e .${{ inputs.extras }} shell: bash diff --git a/.github/workflows/ci-code.yml b/.github/workflows/ci-code.yml index 8346d9fde..0f08f4ec0 100644 --- a/.github/workflows/ci-code.yml +++ b/.github/workflows/ci-code.yml @@ -64,16 +64,22 @@ jobs: python-version: ${{ matrix.python-version }} - name: Setup environment - # Note: The virtual environment in .venv was created by uv in previous step - run: source .venv/bin/activate && .github/workflows/setup.sh + run: .github/workflows/setup.sh - name: Run test suite env: AIIDA_TEST_PROFILE: test_aiida AIIDA_WARN_v3: 1 - # Python 3.12 has a performance regression when running with code coverage + # NOTE1: Python 3.12 has a performance regression when running with code coverage # so run code coverage only for python 3.9. - run: uv run pytest -n auto --db-backend psql -m 'not nightly' tests/ ${{ matrix.python-version == '3.9' && '--cov aiida' || '' }} + # NOTE2: Unset CI envvar to workaround a pymatgen issue for Python 3.9 + # https://github.com/materialsproject/pymatgen/issues/4243 + # TODO: Remove a workaround for VIRTUAL_ENV once the setup-uv action is updated + # https://github.com/astral-sh/setup-uv/issues/219 + run: | + ${{ matrix.python-version == '3.9' && 'unset CI' || '' }} + ${{ matrix.python-version == '3.9' && 'VIRTUAL_ENV=$PWD/.venv' || '' }} + pytest -n auto --db-backend psql -m 'not nightly' tests/ ${{ matrix.python-version == '3.9' && '--cov aiida' || '' }} - name: Upload coverage report if: matrix.python-version == 3.9 && github.repository == 'aiidateam/aiida-core' @@ -122,7 +128,10 @@ jobs: uses: ./.github/actions/install-aiida-core with: python-version: '3.12' - from-lock: 'false' + from-lock: 'true' + # NOTE: The `verdi devel check-undesired-imports` fails if + # the 'tui' extra is installed. + extras: '' - name: Run verdi tests run: | diff --git a/.github/workflows/test-install.yml b/.github/workflows/test-install.yml index 7a0076fbb..58a10e378 100644 --- a/.github/workflows/test-install.yml +++ b/.github/workflows/test-install.yml @@ -11,6 +11,9 @@ on: schedule: - cron: 30 02 * * * # nightly build +env: + FORCE_COLOR: 1 + # https://docs.github.com/en/actions/using-jobs/using-concurrency concurrency: # only cancel in-progress jobs or runs for the current workflow - matches against branch & tags @@ -32,18 +35,18 @@ jobs: - name: Set up Python 3.11 uses: actions/setup-python@v5 with: - python-version: '3.9' + python-version: '3.11' - name: Set up uv - uses: astral-sh/setup-uv@v4 + uses: astral-sh/setup-uv@v5 with: - version: 0.5.6 + version: 0.5.x - name: Install utils/ dependencies run: uv pip install --system -r utils/requirements.txt - name: Validate uv lockfile - run: uv lock --locked + run: uv lock --check - name: Validate conda environment file run: python ./utils/dependency_management.py validate-environment-yml @@ -208,4 +211,11 @@ jobs: env: AIIDA_TEST_PROFILE: test_aiida AIIDA_WARN_v3: 1 - run: pytest -n auto --db-backend psql tests -m 'not nightly' tests/ + # Unset CI envvar to workaround a pymatgen issue for Python 3.9 + # https://github.com/materialsproject/pymatgen/issues/4243 + # TODO: Remove a workaround for VIRTUAL_ENV once the setup-uv action is updated + # https://github.com/astral-sh/setup-uv/issues/219 + run: | + ${{ matrix.python-version == '3.9' && 'unset CI' || '' }} + ${{ matrix.python-version == '3.9' && 'VIRTUAL_ENV=$PWD/.venv' || '' }} + pytest -n auto --db-backend psql tests -m 'not nightly' tests/ diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index d37447c38..380f8766f 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -191,12 +191,13 @@ repos: - id: check-uv-lock name: Check uv lockfile up to date # NOTE: This will not automatically update the lockfile - entry: uv lock --locked + entry: uv lock --check language: system pass_filenames: false files: >- (?x)^( pyproject.toml| + uv.lock| )$ - id: generate-conda-environment diff --git a/uv.lock b/uv.lock index f56926877..5e20619f9 100644 --- a/uv.lock +++ b/uv.lock @@ -1,9 +1,13 @@ version = 1 requires-python = ">=3.9" resolution-markers = [ - "python_full_version < '3.11'", - 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