ci.yml

name: CI tests

on:
  pull_request:
  push:
    branches:
    - main
    - 'push-action/**'

env:
  PYTEST_ADDOPTS: "--color=yes"
  LINTING_PY_VERSION: "3.10"  # The version of Python to use for linting (typically the minimum supported)

# Cancel running workflows when additional changes are pushed
# https://docs.github.com/en/actions/using-workflows/workflow-syntax-for-github-actions#example-using-a-fallback-value
concurrency:
  group: ${{ github.head_ref || github.run_id }}
  cancel-in-progress: true

jobs:

  pre-commit:
    runs-on: ubuntu-latest

    steps:
    - uses: actions/checkout@v5
      with:
        submodules: true

    - name: Set up Python ${{ env.LINTING_PY_VERSION }}
      uses: actions/setup-python@v6
      with:
        python-version: ${{ env.LINTING_PY_VERSION }}

    - name: Setup uv
      uses: astral-sh/setup-uv@v6
      with:
        version: "latest"

    - name: Install dependencies
      run: |
        uv sync --locked --extra server --extra dev --extra elastic

    - name: Run pre-commit
      run: uv run pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )

  openapi:
    runs-on: ubuntu-latest

    steps:
    - uses: actions/checkout@v5
      with:
        submodules: true

    - name: Setup uv
      uses: astral-sh/setup-uv@v6
      with:
        version: "latest"

    - name: Install dependencies
      run: |
        uv sync --locked --extra server --extra dev

    - name: Pass generated OpenAPI schemas through validator.swagger.io
      run: |
        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: uv run invoke check-openapi-diff

  docker-image:
    runs-on: ubuntu-latest

    steps:
    - uses: actions/checkout@v5
      with:
        submodules: true

    - name: Build the container image
      run: docker build -f Dockerfile --build-arg CONFIG_FILE=.docker/docker_config.json --tag optimade .

    - name: Start Docker image - server
      run: |
        docker run --rm -d -p 3213:5000 --name optimade optimade
        .github/utils/wait_for_it.sh localhost:3213 -t 120
        sleep 15

    - name: Test server, including OPTIONAL base URLs
      # Pin validator action until merge of Materials-Consortia/optimade-validator-action#175
      uses: Materials-Consortia/optimade-validator-action@dc4a7b6a83da42e5341a1a401e36d83375550fb7
      with:
        port: 3213
        path: /
        all versioned paths: yes
        validator version: ${{ github.sha }}  # This ensures the head of a PR or latest push commit is tested

    - name: Start Docker image - index server
      run: |
        docker run --rm -d -p 3214:5000 --name optimade-index -e MAIN=main_index optimade
        .github/utils/wait_for_it.sh localhost:3214 -t 120
        sleep 15

    - name: Test index server, including OPTIONAL base URLs
      # Pin validator action until merge of Materials-Consortia/optimade-validator-action#175
      uses: Materials-Consortia/optimade-validator-action@dc4a7b6a83da42e5341a1a401e36d83375550fb7
      with:
        port: 3214
        path: /
        all versioned paths: yes
        index: yes
        validator version: ${{ github.sha }}  # This ensures the head of a PR or latest push commit is tested

  pytest:
    runs-on: ubuntu-latest

    env:
      OPTIMADE_CONFIG_FILE: ${{ github.workspace }}/optimade_config.json

    strategy:
      fail-fast: false
      max-parallel: 4
      matrix:
        python-version: ['3.10', '3.11', '3.12', '3.13']

    services:
      mongo:
        image: mongo:7
        ports:
        - 27017:27017
      postgres:
        image: postgres:10
        env:
          POSTGRES_DB: test_aiida
          POSTGRES_PASSWORD: test
        options: >-
          --health-cmd pg_isready
          --health-interval 10s
          --health-timeout 5s
          --health-retries 5
        ports:
        - 5432:5432
      elasticsearch:
        image: elasticsearch:7.17.7
        ports:
          - 9200:9200
          - 9300:9300
        env:
          discovery.type: single-node
          xpack.security.enabled: 'false'


    steps:
    - uses: actions/checkout@v5
      with:
        submodules: true
        fetch-depth: 2

    - name: Setup uv
      uses: astral-sh/setup-uv@v6
      with:
        version: "latest"

    - name: Install dependencies
      run: |
        uv sync --locked --extra http-client --extra dev

    - name: Run non-server tests
      run: uv run pytest -rs -vvv --durations=10 --cov=./optimade/ --cov-report=xml tests/ --ignore tests/server

    - name: Install latest server dependencies
      run: uv sync --locked --extra http-client --extra dev --extra server --extra elastic

    - name: Run server tests (using `mongomock`)
      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:
        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: uv run pytest -rs -vvv --durations=10 --cov=./optimade/ --cov-report=xml --cov-append tests/server tests/filtertransformers
      env:
        OPTIMADE_DATABASE_BACKEND: 'mongodb'

    - name: Run server tests (using Elasticsearch)
      run: |
        .github/utils/wait_for_it.sh localhost:9200 -t 120
        .github/utils/wait_for_it.sh localhost:9300 -t 120
        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: uv sync --locked --extra http-client --extra dev --extra server --extra client --extra elastic

    - name: Setup environment for AiiDA
      env:
        AIIDA_TEST_BACKEND: core.psql_dos
      run: |
        .github/aiida/setup_aiida.sh

    - name: Run previously skipped tests for adapter conversion
      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: 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: 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
        OPTIMADE_INSERT_FROM_JSONL: ''    # Must be specified as previous steps will have already inserted the test data

    - name: Run tests for validator only to assess coverage (MongoDB)
      if: matrix.python-version == '3.11'
      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
        OPTIMADE_INSERT_FROM_JSONL: ''    # Must be specified as previous steps will have already inserted the test data

    - name: Run the OPTIMADE Client CLI
      if: matrix.python-version == '3.11'
      run: |
        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

        uv run coverage run --append --source optimade optimade/client/cli.py \
          --filter 'nsites = 1' \
           --http-timeout 10.0 \
          --count \
          --output-file test_count.json \
          https://optimade.fly.dev
        test test_count.json

        uv run coverage run --append --source optimade optimade/client/cli.py \
          --no-async \
          --filter 'nsites = 1' \
           --http-timeout 10.0 \
          --count \
          --output-file test_count_no_async.json \
          https://optimade.fly.dev
        test test_count_no_async.json

        diff test_count_no_async.json test_count.json

        uv run coverage xml

    - name: Upload coverage to Codecov
      if: matrix.python-version == '3.11' && github.repository == 'Materials-Consortia/optimade-python-tools'
      uses: codecov/codecov-action@v5
      with:
        token: ${{ secrets.CODECOV_TOKEN }}
        name: project
        file: ./coverage.xml
        flags: project

    - name: Upload validator coverage to Codecov
      if: matrix.python-version == '3.11' && github.repository == 'Materials-Consortia/optimade-python-tools'
      uses: codecov/codecov-action@v5
      with:
        token: ${{ secrets.CODECOV_TOKEN }}
        name: validator
        file: ./validator_cov.xml
        flags: validator

  docs:
    runs-on: ubuntu-latest

    steps:
    - uses: actions/checkout@v5
      with:
        submodules: true

    - uses: actions/setup-python@v6
      with:
        python-version: ${{ env.LINTING_PY_VERSION }}

    - name: Setup uv
      uses: astral-sh/setup-uv@v6
      with:
        version: "latest"

    - name: Install dependencies
      run: |
        uv sync --locked --all-extras

    # NOTE: While we're now using `mike`, this is still useful
    # to test the integrity of the documentation build.
    - name: Build
      run: |
        uv run invoke create-api-reference-docs --pre-clean
        uv run mkdocs build --strict

  test_build:
    runs-on: ubuntu-latest

    steps:
    - name: Checkout repository
      uses: actions/checkout@v5

    - name: Set up Python ${{ env.LINTING_PY_VERSION }}
      uses: actions/setup-python@v6
      with:
        python-version: ${{ env.LINTING_PY_VERSION }}

    - name: Setup uv
      uses: astral-sh/setup-uv@v6
      with:
        version: "latest"

    - name: Install dependencies
      run: |
        uv sync --locked --all-extras

    - name: Build source distribution
      run: uv run python -m build