run_tests.yml

# Copyright 2020 Open Reaction Database Project Authors
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
#      http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.

name: Tests

on: [ pull_request, push ]

jobs:
  test_ord_schema:
    runs-on: ubuntu-latest
    env:
      PGDATA: $GITHUB_WORKSPACE/rdkit-postgres
    steps:
      - uses: actions/checkout@v3
      - uses: conda-incubator/setup-miniconda@v2
      - name: Setup PostgreSQL
        shell: bash -l {0}
        run: |
          # NOTE(skearnes): conda is only used for postgres (not python).
          conda install -c rdkit rdkit-postgresql==2020.03.3.0
          initdb
      - uses: actions/setup-python@v4
        with:
          python-version: '3.10'
      - name: Install ord_schema
        run: |
          python -m pip install --upgrade pip
          python -m pip install wheel
          python -m pip install .[tests]
      - name: Run tests
        shell: bash -l {0}
        run: |
          coverage erase
          pytest -n auto -vv --cov=ord_schema --durations=0 --durations-min=1
          coverage xml
      - uses: codecov/codecov-action@v1

  test_notebooks:
    runs-on: ubuntu-latest
    steps:
      - uses: actions/checkout@v3
      - uses: actions/setup-python@v4
        with:
          python-version: '3.10'
      - name: Install ord_schema
        run: |
          python -m pip install --upgrade pip
          python -m pip install wheel
          python -m pip install .[examples,tests]
      - name: Test notebooks
        run: |
          treon

  test_proto_wrappers:
    runs-on: ubuntu-latest
    steps:
      - uses: actions/checkout@v3
      - uses: actions/setup-python@v4
        with:
          python-version: '3.10'
      - name: Install protoc
        run: |
          python -m pip install --upgrade pip
          python -m pip install wheel
          mkdir protoc
          cd protoc
          wget https://github.com/protocolbuffers/protobuf/releases/download/v22.3/protoc-22.3-linux-x86_64.zip
          unzip protoc-22.3-linux-x86_64.zip
          wget https://github.com/protocolbuffers/protobuf-javascript/releases/download/v3.21.2/protobuf-javascript-3.21.2-linux-x86_64.zip
          unzip protobuf-javascript-3.21.2-linux-x86_64.zip
          PATH=$GITHUB_WORKSPACE/protoc/bin:$PATH protoc --version
      - name: Run protoc
        run: |
          PATH=$GITHUB_WORKSPACE/protoc/bin:$PATH ./compile_proto_wrappers.sh
          ./format.sh  # Add license headers.
      - name: Check for drift
        run: |
          # Ignore the copyright line in the diff so the year can change.
          [[ -z $(git diff -I "^(#| \*) Copyright") ]] || { echo "proto wrappers do not match:\n$(git diff)"; exit 1; }

  test_js:
    runs-on: ubuntu-latest
    steps:
      - uses: actions/checkout@v3
      - uses: actions/setup-node@v3
        with:
          node-version: '16.x'
      - name: Test NPM package
        run: |
          cd js/ord-schema
          npm install-test

  test_publish:
    runs-on: ubuntu-latest
    steps:
      - uses: actions/checkout@v3
      - uses: actions/setup-python@v4
        with:
          python-version: '3.10'
      - uses: actions/setup-node@v3
        with:
          node-version: '16.x'
          registry-url: 'https://registry.npmjs.org'
      - name: Test bump patch version
        run: |
          git config user.name github-actions
          git config user.email github-actions@github.com
          python -m pip install bump2version
          bump2version patch --verbose
      - name: Test python
        run: |
          python -m pip install --upgrade pip
          python -m pip install --upgrade build twine wheel
          python -m build
      - name: Test javascript
        run: |
          cd js/ord-schema
          npm install
          npm run build
          npm publish --dry-run