Dockerfile

FROM python:3.10

RUN apt-get update && apt-get install -y \
    gfortran \
    libopenmpi-dev \
    openmpi-bin \
    libopenblas-dev \
    liblapack-dev \
    pkg-config \
    git \
    && 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

# 克隆 pyPDAF（包含 submodule）
RUN git clone --recursive https://github.com/yumengch/pyPDAF.git pyPDAF_source

WORKDIR /app/pyPDAF_source

# 设置 MPI 编译器环境变量
ENV MPIFC=mpifort
ENV FC=mpifort
ENV F90=mpifort

# 安装构建依赖
RUN pip install --no-cache-dir meson-python meson ninja cython numpy mpi4py

# 尝试编译安装（如果失败就跳过）
RUN pip install --no-cache-dir -v . || echo "Build failed, will try alternative"

# 如果上面失败，尝试直接使用预编译的 wheel
RUN if ! python -c "import pyPDAF" 2>/dev/null; then \
        pip install --no-cache-dir pypdaf || \
        echo "Both build and install failed"; \
    fi

WORKDIR /app

# 复制 MCP 代码
COPY --chown=user ./pyPDAF/mcp_output /app/pyPDAF/mcp_output
COPY --chown=user ./requirements.txt /app/requirements.txt

# 修复导入语句
RUN if [ -f /app/pyPDAF/mcp_output/mcp_plugin/mcp_service.py ]; then \
        sed -i 's/from src\.pyPDAF import/from pyPDAF import/g' /app/pyPDAF/mcp_output/mcp_plugin/mcp_service.py; \
    fi

# 安装其他依赖
RUN pip install --no-cache-dir --upgrade -r requirements.txt

ENV PYTHONPATH=/app:$PYTHONPATH
ENV MCP_TRANSPORT=http
ENV MCP_PORT=7860

EXPOSE 7860

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