Dockerfile

FROM python:3.10

# Install build dependencies for Cython extensions
RUN apt-get update && apt-get install -y \
    build-essential \
    g++ \
    && rm -rf /var/lib/apt/lists/*

RUN useradd -m -u 1000 user && python -m pip install --upgrade pip
USER user
ENV PATH="/home/user/.local/bin:$PATH"

WORKDIR /app

COPY --chown=user ./requirements.txt requirements.txt
RUN pip install --no-cache-dir --upgrade -r requirements.txt

COPY --chown=user . /app

# Install autodE from source (includes Cython compilation)
WORKDIR /app/autodE/source
RUN pip install --no-cache-dir -e .

WORKDIR /app

ENV MCP_TRANSPORT=http
ENV MCP_PORT=7860

EXPOSE 7860

CMD ["python", "autodE/mcp_output/start_mcp.py"]