Dockerfile

# Use a lightweight python image
FROM python:3.9-slim

# Set environment variables
ENV PYTHONDONTWRITEBYTECODE=1 \
    PYTHONUNBUFFERED=1 \
    DEBIAN_FRONTEND=noninteractive

# Install system dependencies required for RDKit and build tools
RUN apt-get update && apt-get install -y \
    libxrender1 \
    libxext6 \
    build-essential \
    wget \
    && rm -rf /var/lib/apt/lists/*

# Set working directory
WORKDIR /app

# Upgrade pip
RUN pip install --no-cache-dir --upgrade pip

# Copy only requirements first to cache dependencies
COPY requirements.txt .

# Install dependencies
# Using automatic cpu version for torch to keep image small
RUN pip install --no-cache-dir torch torchvision --index-url https://download.pytorch.org/whl/cpu
RUN pip install --no-cache-dir -r requirements.txt

# Copy the rest of the application
COPY . .

# Expose the API port - Change from 8000 to 7860
EXPOSE 7860

# Create a non-root user for security
RUN useradd -m -u 1000 user
USER user
ENV HOME=/home/user \
    PATH=/home/user/.local/bin:$PATH

# Command to run the application - Change port to 7860
CMD ["uvicorn", "bioflow.api.server:app", "--host", "0.0.0.0", "--port", "7860"]