test-install.yml

name: test-install

on:
  pull_request:
    paths:
      - 'setup.*'
      - 'environment.yml'
      - '**/requirements*.txt'
      - 'pyproject.toml'
      - 'util/dependency_management.py'
      - '.github/workflows/test-install.yml'
    branches-ignore: [gh-pages]
  schedule:
    - cron: '30 02 * * *'  # nightly build

jobs:

  validate-dependency-specification:
    # Note: The specification is also validated by the pre-commit hook.

    if: github.repository == 'aiidateam/aiida-core'
    runs-on: ubuntu-latest
    timeout-minutes: 5

    steps:
    - uses: actions/checkout@v2

    - name: Set up Python 3.9
      uses: actions/setup-python@v2
      with:
        python-version: 3.9

    - name: Install utils/ dependencies
      run: pip install -r utils/requirements.txt

    - name: Validate
      run: python ./utils/dependency_management.py validate-all

  install-with-pip:

    if: github.repository == 'aiidateam/aiida-core'
    runs-on: ubuntu-latest
    timeout-minutes: 5

    strategy:
      fail-fast: false
      matrix:
        extras: [ '', '[atomic_tools,docs,notebook,rest,tests]' ]

    steps:
    - uses: actions/checkout@v2

      # Set to Python version 3.8, as the installation with 3.9 still takes
      # significantly longer to install.
    - name: Set up Python 3.8
      uses: actions/setup-python@v2
      with:
        python-version: 3.8

    - name: Pip install
      id: pip_install
      run: |
        python -m pip --version
        python -m pip install -e .${{ matrix.extras }}
        python -m pip freeze

    - name: Test importing aiida
      if: steps.pip_install.outcome == 'success'
      run:
        python -c "import aiida"

  install-with-conda:

    if: github.repository == 'aiidateam/aiida-core'
    runs-on: ubuntu-latest
    name: install-with-conda

    timeout-minutes: 5

    steps:
    - uses: actions/checkout@v2

    - name: Setup Conda
      uses: s-weigand/setup-conda@v1
      with:
        python-version: 3.9
        update-conda: false
        conda-channels: conda-forge
    - run: conda --version
    - run: python --version
    - run: which python

    - name: Test direct installation
      run: |
        conda create -n test-install aiida-core
        source activate test-install
        python -c "import aiida"

    - name: Test conda environment
      run: |
        conda env create -f environment.yml -n test-environment
        source activate test-environment
        python -m pip install --no-deps -e .
        python -c "import aiida"

  tests:

    needs: [install-with-pip, install-with-conda]
    runs-on: ubuntu-latest
    timeout-minutes: 35

    strategy:
      fail-fast: false
      matrix:
        python-version: [3.7, 3.8, 3.9]
        backend: ['django', 'sqlalchemy']

    services:
      postgres:
        image: postgres:10
        env:
          POSTGRES_DB: test_${{ matrix.backend }}
          POSTGRES_PASSWORD: ''
          POSTGRES_HOST_AUTH_METHOD: trust
        options: >-
          --health-cmd pg_isready
          --health-interval 10s
          --health-timeout 5s
          --health-retries 5
        ports:
          - 5432:5432
      rabbitmq:
        image: rabbitmq:latest
        ports:
          - 5672:5672
      slurm:
        image: xenonmiddleware/slurm:17
        ports:
          - 5001:22

    steps:
    - uses: actions/checkout@v2

    - name: Set up Python ${{ matrix.python-version }}
      uses: actions/setup-python@v2
      with:
        python-version: ${{ matrix.python-version }}

    - name: Install system dependencies
      run: |
        sudo apt update
        sudo apt install postgresql graphviz

    - name: Upgrade pip and setuptools
      # It is crucial to update `setuptools` or the installation of `pymatgen` can break
      run: |
        pip install --upgrade pip setuptools
        pip --version

    - name: Install aiida-core
      run: |
        pip install -e .[atomic_tools,docs,notebook,rest,tests]

    - run: pip freeze

    - name: Setup AiiDA environment
      env:
        AIIDA_TEST_BACKEND: ${{ matrix.backend }}
      run:
        .github/workflows/setup.sh

    - name: Run test suite
      env:
        AIIDA_TEST_BACKEND: ${{ matrix.backend }}
      run:
        .github/workflows/tests.sh

    - name: Freeze test environment
      run: pip freeze | sed '1d' | tee requirements-py-${{ matrix.python-version }}.txt

    # Add python-version specific requirements/ file to the requirements.txt artifact.
    # This artifact can be used in the next step to automatically create a pull request
    # updating the requirements (in case they are  inconsistent with the setup.json file).
    - uses: actions/upload-artifact@v1
      if: matrix.backend == 'django'  # The requirements are identical between backends.
      with:
        name: requirements.txt
        path: requirements-py-${{ matrix.python-version }}.txt

# Check whether the requirements/ files are consistent with the dependency specification in the setup.json file.
# If the check fails, warn the user via a comment and try to automatically create a pull request to update the files
# (does not work on pull requests from forks).

  check-requirements:

    needs: tests

    runs-on: ubuntu-latest
    timeout-minutes: 5

    steps:
    - uses: actions/checkout@v2

    - name: Set up Python 3.9
      uses: actions/setup-python@v2
      with:
        python-version: 3.9

    - name: Install utils/ dependencies
      run: pip install -r utils/requirements.txt

    - name: Check consistency of requirements/ files
      id: check_reqs
      continue-on-error: true
      run: python ./utils/dependency_management.py check-requirements DEFAULT --no-github-annotate

#
# The following steps are only executed if the consistency check failed.
#
    - name: Create commit comment
      if: steps.check_reqs.outcome == 'Failure'  # only run if requirements/ are inconsistent
      uses: peter-evans/commit-comment@v1
      with:
        token: ${{ secrets.GITHUB_TOKEN }}
        path: setup.json
        body: |
          The requirements/ files are inconsistent!

    # Check out the base branch so that we can prepare the pull request.
    - name: Checkout base branch
      if: steps.check_reqs.outcome == 'Failure'  # only run if requirements/ are inconsistent
      uses: actions/checkout@v2
      with:
        ref: ${{ github.head_ref }}
        clean: true

    - name: Download requirements.txt files
      if: steps.check_reqs.outcome == 'Failure'  # only run if requirements/ are inconsistent
      uses: actions/download-artifact@v1
      with:
        name: requirements.txt
        path: requirements

    - name: Commit requirements files
      if: steps.check_reqs.outcome == 'Failure'  # only run if requirements/ are inconsistent
      run: |
        git add requirements/*

    - name: Create pull request for updated requirements files
      if: steps.check_reqs.outcome == 'Failure'  # only run if requirements/ are inconsistent
      id: create_update_requirements_pr
      continue-on-error: true
      uses: peter-evans/create-pull-request@v2
      with:
        committer: GitHub <noreply@github.com>
        author: ${{ github.actor }} <${{ github.actor }}@users.noreply.github.com>
        branch: update-requirements
        commit-message: "Automated update of requirements/ files."
        title: "Update requirements/ files."
        body: |
          Update requirements files to ensure that they are consistent
          with the dependencies specified in the 'setup.json' file.

          Please note, that this pull request was likely created to
          resolve the inconsistency for a specific dependency, however
          other versions that have changed since the last update will
          be included as part of this commit as well.

          Click [here](https://github.com/aiidateam/aiida-core/wiki/AiiDA-Dependency-Management) for more information.

    - name: Create PR comment on success
      if: steps.create_update_requirements_pr.outcome == 'Success'
      uses: peter-evans/create-or-update-comment@v1
      with:
        issue-number: ${{ github.event.number }}
        body: |
          I automatically created a pull request (#${{ steps.create_update_requirements_pr.outputs.pr_number }}) that adapts the
          requirements/ files according to the dependencies specified in the 'setup.json' file.

    - name: Create PR comment on failure
      if: steps.create_update_requirements_pr.outcome == 'Failure'
      uses: peter-evans/create-or-update-comment@v1
      with:
        issue-number: ${{ github.event.number }}
        body: |
          Please update the requirements/ files to ensure that they
          are consistent with the dependencies specified in the 'setup.json' file.