diff --git a/.github/aiida/setup_aiida.sh b/.github/aiida/setup_aiida.sh index 91519f5ea..5b79163b2 100755 --- a/.github/aiida/setup_aiida.sh +++ b/.github/aiida/setup_aiida.sh @@ -8,6 +8,6 @@ sed -i "s|PLACEHOLDER_PROFILE|test_${AIIDA_TEST_BACKEND}|" "${CONFIG}/profile.ya sed -i "s|PLACEHOLDER_DATABASE_NAME|test_aiida|" "${CONFIG}/profile.yaml" sed -i "s|PLACEHOLDER_REPOSITORY|/tmp/test_repository_test_${AIIDA_TEST_BACKEND}/|" "${CONFIG}/profile.yaml" -verdi setup --config "${CONFIG}/profile.yaml" +uv run verdi setup --config "${CONFIG}/profile.yaml" -verdi profile setdefault test_${AIIDA_TEST_BACKEND} +uv run verdi profile setdefault test_${AIIDA_TEST_BACKEND} diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 824635614..fe0508b6a 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -31,19 +31,18 @@ jobs: uses: actions/setup-python@v6 with: python-version: ${{ env.LINTING_PY_VERSION }} - cache: 'pip' - cache-dependency-path: | - requirements*.txt + + - name: Setup uv + uses: astral-sh/setup-uv@v6 + with: + version: "latest" - name: Install dependencies run: | - python -m pip install --upgrade pip - pip install -U setuptools wheel - pip install -r requirements.txt -r requirements-server.txt -r requirements-dev.txt - pip install -e . + uv sync --locked --extra server --extra dev --extra elastic - name: Run pre-commit - run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1 ) + run: uv run pre-commit run --all-files || ( git status --short ; git diff ; exit 1 ) openapi: runs-on: ubuntu-latest @@ -53,28 +52,22 @@ jobs: with: submodules: true - - name: Set up Python ${{ env.LINTING_PY_VERSION }} - uses: actions/setup-python@v6 + - name: Setup uv + uses: astral-sh/setup-uv@v6 with: - python-version: ${{ env.LINTING_PY_VERSION }} - cache: 'pip' - cache-dependency-path: | - requirements*.txt + version: "latest" - - name: Install tools + - name: Install dependencies run: | - python -m pip install --upgrade pip - pip install -U setuptools wheel - pip install -r requirements.txt -r requirements-server.txt -r requirements-dev.txt - pip install -e . + uv sync --locked --extra server --extra dev - name: Pass generated OpenAPI schemas through validator.swagger.io run: | - invoke swagger-validator openapi/openapi.json - invoke swagger-validator openapi/index_openapi.json + uv run invoke swagger-validator openapi/openapi.json + uv run invoke swagger-validator openapi/index_openapi.json - name: Check OpenAPI Schemas have not changed - run: invoke check-openapi-diff + run: uv run invoke check-openapi-diff docker-image: runs-on: ubuntu-latest @@ -163,41 +156,35 @@ jobs: submodules: true fetch-depth: 2 - - name: Set up Python ${{ matrix.python-version }} - uses: actions/setup-python@v6 + - name: Setup uv + uses: astral-sh/setup-uv@v6 with: - python-version: ${{ matrix.python-version }} - cache: 'pip' - cache-dependency-path: | - requirements*.txt + version: "latest" - - name: Install latest compatible versions of immediate dependencies + - name: Install dependencies run: | - python -m pip install --upgrade pip - pip install -U setuptools wheel - pip install -r requirements.txt -r requirements-dev.txt -r requirements-http-client.txt - pip install -e . + uv sync --locked --extra http-client --extra dev - name: Run non-server tests - run: pytest -rs -vvv --durations=10 --cov=./optimade/ --cov-report=xml tests/ --ignore tests/server + run: uv run pytest -rs -vvv --durations=10 --cov=./optimade/ --cov-report=xml tests/ --ignore tests/server - name: Install latest server dependencies - run: pip install -r requirements-server.txt + run: uv sync --locked --extra http-client --extra dev --extra server --extra elastic - name: Run server tests (using `mongomock`) - run: pytest -rs -vvv --durations=10 --cov=./optimade/ --cov-report=xml --cov-append tests/server tests/filtertransformers + run: uv run pytest -rs -vvv --durations=10 --cov=./optimade/ --cov-report=xml --cov-append tests/server tests/filtertransformers env: OPTIMADE_DATABASE_BACKEND: 'mongomock' - name: Run server tests with no API validation (using `mongomock`) run: - pytest -rs -vvv --durations=10 --cov=./optimade/ --cov-report=xml --cov-append tests/server tests/filtertransformers + uv run pytest -rs -vvv --durations=10 --cov=./optimade/ --cov-report=xml --cov-append tests/server tests/filtertransformers env: OPTIMADE_DATABASE_BACKEND: 'mongomock' OPTIMADE_VALIDATE_API_RESPONSE: false - name: Run server tests (using a real MongoDB) - run: pytest -rs -vvv --durations=10 --cov=./optimade/ --cov-report=xml --cov-append tests/server tests/filtertransformers + run: uv run pytest -rs -vvv --durations=10 --cov=./optimade/ --cov-report=xml --cov-append tests/server tests/filtertransformers env: OPTIMADE_DATABASE_BACKEND: 'mongodb' @@ -205,12 +192,12 @@ jobs: run: | .github/utils/wait_for_it.sh localhost:9200 -t 120 .github/utils/wait_for_it.sh localhost:9300 -t 120 - pytest -rs -vvv --cov=./optimade/ --cov-report=xml --cov-append tests/server tests/filtertransformers + uv run pytest -rs -vvv --cov=./optimade/ --cov-report=xml --cov-append tests/server tests/filtertransformers env: OPTIMADE_DATABASE_BACKEND: 'elastic' - name: Install adapter conversion dependencies - run: pip install -r requirements-client.txt + run: uv sync --locked --extra http-client --extra dev --extra server --extra client --extra elastic - name: Setup environment for AiiDA env: @@ -219,17 +206,17 @@ jobs: .github/aiida/setup_aiida.sh - name: Run previously skipped tests for adapter conversion - run: pytest -rs -vvv --cov=./optimade/ --cov-report=xml --cov-append tests/adapters/ + run: uv run pytest -rs -vvv --cov=./optimade/ --cov-report=xml --cov-append tests/adapters/ - name: Run tests for validator only to assess coverage (mongomock) if: matrix.python-version == '3.11' - run: pytest -rs --cov=./optimade/ --cov-report=xml:validator_cov.xml --cov-append tests/server/test_server_validation.py + run: uv run pytest -rs --cov=./optimade/ --cov-report=xml:validator_cov.xml --cov-append tests/server/test_server_validation.py env: OPTIMADE_DATABASE_BACKEND: 'mongomock' - name: Run tests for validator only to assess coverage (Elasticsearch) if: matrix.python-version == '3.11' - run: pytest -rs --cov=./optimade/ --cov-report=xml:validator_cov.xml --cov-append tests/server/test_server_validation.py + run: uv run pytest -rs --cov=./optimade/ --cov-report=xml:validator_cov.xml --cov-append tests/server/test_server_validation.py env: OPTIMADE_DATABASE_BACKEND: 'elastic' OPTIMADE_INSERT_TEST_DATA: false # Must be specified as previous steps will have already inserted the test data @@ -237,7 +224,7 @@ jobs: - name: Run tests for validator only to assess coverage (MongoDB) if: matrix.python-version == '3.11' - run: pytest -rs --cov=./optimade/ --cov-report=xml:validator_cov.xml --cov-append tests/server/test_server_validation.py + run: uv run pytest -rs --cov=./optimade/ --cov-report=xml:validator_cov.xml --cov-append tests/server/test_server_validation.py env: OPTIMADE_DATABASE_BACKEND: 'mongodb' OPTIMADE_INSERT_TEST_DATA: false # Must be specified as previous steps will have already inserted the test data @@ -246,14 +233,14 @@ jobs: - name: Run the OPTIMADE Client CLI if: matrix.python-version == '3.11' run: | - coverage run --append --source optimade optimade/client/cli.py \ + uv run coverage run --append --source optimade optimade/client/cli.py \ --filter 'nsites = 1' \ --http-timeout 10.0 \ --output-file test_get_async.json \ https://optimade.fly.dev test test_get_async.json - coverage run --append --source optimade optimade/client/cli.py \ + uv run coverage run --append --source optimade optimade/client/cli.py \ --filter 'nsites = 1' \ --http-timeout 10.0 \ --count \ @@ -261,7 +248,7 @@ jobs: https://optimade.fly.dev test test_count.json - coverage run --append --source optimade optimade/client/cli.py \ + uv run coverage run --append --source optimade optimade/client/cli.py \ --no-async \ --filter 'nsites = 1' \ --http-timeout 10.0 \ @@ -272,7 +259,7 @@ jobs: diff test_count_no_async.json test_count.json - coverage xml + uv run coverage xml - name: Upload coverage to Codecov if: matrix.python-version == '3.11' && github.repository == 'Materials-Consortia/optimade-python-tools' @@ -303,23 +290,22 @@ jobs: - uses: actions/setup-python@v6 with: python-version: ${{ env.LINTING_PY_VERSION }} - cache: 'pip' - cache-dependency-path: | - requirements*.txt + + - name: Setup uv + uses: astral-sh/setup-uv@v6 + with: + version: "latest" - name: Install dependencies run: | - python -m pip install --upgrade pip - pip install -U setuptools wheel - pip install -r requirements.txt -r requirements-server.txt -r requirements-dev.txt -r requirements-http-client.txt -r requirements-docs.txt - pip install -e . + uv sync --locked --all-extras # NOTE: While we're now using `mike`, this is still useful # to test the integrity of the documentation 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