FROM python:3.10-slim

# Install system dependencies (including graphics rendering libs for RDKit)
RUN apt-get update && apt-get install -y \
    build-essential \
    curl \
    git \
    libxrender1 \
    libxext6 \
    libsm6 \
    libice6 \
    && rm -rf /var/lib/apt/lists/*

# Set up non-root user for Hugging Face Spaces compatibility
RUN useradd -m -u 1000 user
USER user
ENV HOME=/home/user \
    PATH=/home/user/.local/bin:$PATH

WORKDIR $HOME/app

# Copy requirements first for caching
COPY --chown=user requirements.txt .

# Install CPU PyTorch first to avoid downloading heavy CUDA weights
RUN pip install --no-cache-dir torch==2.1.2 --index-url https://download.pytorch.org/whl/cpu

# Install remaining dependencies from requirements.txt
RUN pip install --no-cache-dir -r requirements.txt

# Copy source code and directories into the container
COPY --chown=user app.py .
COPY --chown=user dist/ dist/
COPY --chown=user workspace/ workspace/

# Expose the HF Space port
EXPOSE 7860

# Run FastAPI app
CMD ["uvicorn", "app:app", "--host", "0.0.0.0", "--port", "7860"]