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docs: Add comprehensive Pilot Study documentation #29

docs: Add comprehensive Pilot Study documentation

docs: Add comprehensive Pilot Study documentation #29

Workflow file for this run

name: CI/CD Pipeline
on:
push:
branches: [main, develop]
pull_request:
branches: [main, develop]
jobs:
lint:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v3
- name: Set up Python
uses: actions/setup-python@v4
with:
python-version: '3.9'
- name: Install dependencies
run: |
python -m pip install --upgrade pip
pip install black pylint mypy
- name: Lint with Black
run: black --check src/autoscan tests/
- name: Lint with Pylint
run: pylint src/autoscan --exit-zero
- name: Type check with mypy
run: mypy src/autoscan --ignore-missing-imports
test:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v3
- name: Set up Python
uses: actions/setup-python@v4
with:
python-version: '3.9'
- name: Install system dependencies
run: |
sudo apt-get update
sudo apt-get install -y openbabel autoscan-vina
- name: Install Python dependencies
run: |
python -m pip install --upgrade pip
pip install -e ".[dev]"
- name: Run tests
run: pytest tests/ -v --cov=src/autoscan
docker:
runs-on: ubuntu-latest
needs: [lint, test]
if: github.event_name == 'push' && github.ref == 'refs/heads/main'
steps:
- uses: actions/checkout@v3
- name: Build Docker image
run: docker build -t autoscan:latest .
- name: Test Docker image
run: docker run --rm autoscan:latest --help