| FROM python:3.11-slim | |
| # System dependencies | |
| RUN apt-get update && apt-get install -y \ | |
| build-essential \ | |
| git \ | |
| python3-dev \ | |
| libboost-all-dev \ | |
| cmake \ | |
| && rm -rf /var/lib/apt/lists/* | |
| # Install RDKit (official wheels) | |
| RUN pip install --upgrade pip && pip install rdkit-pypi | |
| # Set workdir | |
| WORKDIR /app | |
| # Copy code | |
| COPY . . | |
| # Install Python dependencies | |
| RUN pip install --no-cache-dir -r requirements.txt | |
| # Set environment variables for HuggingFace Spaces | |
| ENV PORT=7860 | |
| ENV LOG_LEVEL=info | |
| ENV ALLOWED_ORIGINS="*" | |
| # Expose port for Spaces | |
| EXPOSE 7860 | |
| # Start FastAPI server (Spaces expects python main.py) | |
| CMD ["python", "main.py"] |