replace PF3 with SMILES generated mol2 (#251) #843
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| name: Linter | |
| on: | |
| pull_request: | |
| push: | |
| branches: ["master", "main"] | |
| jobs: | |
| flake8: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python 3.7 | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: 3.7 | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install flake8 | |
| - name: Run flake8 for critical errors | |
| run: | | |
| # Fail the build for the following critical errors: | |
| # E9** syntax, io, or indentation error | |
| # F63* syntax error in assertion, comparison, or print | |
| # F7** syntax error in loops or functions | |
| # F82* undefined variables | |
| # Currently still excluding some files in Informatics that import from rdkit! | |
| flake8 molSimplify --count --select=E9,F63,F7,F82 --show-source --statistics --exclude=fragment_classes.py,frag_functionalizer.py,bridge_functionalizer.py | |
| - name: Run full flake8 linter | |
| run: | | |
| # Will never fail the build because of the --exit-zero flag but gives a report of the "code quality" | |
| flake8 molSimplify --count --statistics --max-complexity 15 --max-line-length=127 --exit-zero | |
| - name: Report Status | |
| # Slack notifications only on the main repo | |
| if: ${{ github.event_name != 'pull_request' && github.repository == 'hjkgrp/molSimplify' && job.status == 'failure'}} | |
| #uses: ravsamhq/notify-slack-action@v1 | |
| uses: 8398a7/action-slack@v3 | |
| with: | |
| fields: message,commit,author,workflow,job,took | |
| status: ${{ job.status }} | |
| env: | |
| SLACK_WEBHOOK_URL: ${{secrets.SLACK_WEBHOOK}} | |
| MATRIX_CONTEXT: ${{ toJson(matrix) }} # required | |
| mypy: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python 3.7 | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: 3.7 | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install mypy types-setuptools types-PyYAML types-requests types-tensorflow types-beautifulsoup4 pandas-stubs PyQt5-stubs | |
| - name: Typecheck with mypy | |
| run: | | |
| mypy --ignore-missing-imports molSimplify | |
| - name: Report Status | |
| # Slack notifications only on the main repo | |
| if: ${{ github.event_name != 'pull_request' && github.repository == 'hjkgrp/molSimplify' && job.status == 'failure'}} | |
| #uses: ravsamhq/notify-slack-action@v1 | |
| uses: 8398a7/action-slack@v3 | |
| with: | |
| fields: message,commit,author,workflow,job,took | |
| status: ${{ job.status }} | |
| env: | |
| SLACK_WEBHOOK_URL: ${{secrets.SLACK_WEBHOOK}} | |
| MATRIX_CONTEXT: ${{ toJson(matrix) }} # required |