Dockerfile

# Multi-stage Dockerfile for QPyth Space
# Stage 1: Frontend build
FROM node:18-alpine AS frontend-builder

WORKDIR /app/web
COPY web/package*.json ./
RUN npm ci

COPY web/ ./
RUN npm run build

# Stage 2: Backend
FROM python:3.11-slim

# Install system dependencies
RUN apt-get update && apt-get install -y \
    gcc \
    g++ \
    && rm -rf /var/lib/apt/lists/*

# Set working directory
WORKDIR /app

# Copy Python requirements
COPY pyproject.toml ./
COPY quantumpytho/ ./quantumpytho/
COPY requirements.txt ./

# Install Python dependencies (without pyscf - use fallback VQE)
RUN pip install --no-cache-dir -e ".[web]"
RUN pip install fastapi uvicorn

# Copy built frontend
COPY --from=frontend-builder /app/web/dist /app/web/dist

# Copy Space server
COPY space_server.py ./

# Expose port 7860 for Hugging Face Spaces
EXPOSE 7860

# Environment variables
ENV PYTHONPATH=/app
ENV QPYTH_BACKEND=automatic
ENV QPYTH_SHOTS=1024

# Start the Space server
CMD ["python", "space_server.py"]