Update Dockerfile

Dockerfile

@@ -1,37 +1,22 @@
-FROM python:3.10
-
-# 安装系统依赖
-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
+FROM continuumio/miniconda3:latest
 
+RUN useradd -m -u 1000 user
 USER user
-ENV PATH="/home/user/.local/bin:$PATH"
 WORKDIR /app
 
-# 克隆完整的仓库（包含 submodule）
-RUN git clone --recursive https://github.com/yumengch/pyPDAF.git pyPDAF_repo
+# 创建 conda 环境并安装 pyPDAF
+RUN conda create -n pypdaf -c conda-forge yumengch::pypdaf python=3.10 -y && \
+    conda clean -afy
 
-# 安装 pyPDAF
-WORKDIR /app/pyPDAF_repo
-RUN pip install --no-cache-dir meson-python meson ninja cython numpy mpi4py && \
-    pip install --no-cache-dir -v .
+# 激活环境
+SHELL ["conda", "run", "-n", "pypdaf", "/bin/bash", "-c"]
 
-# 回到应用目录
-WORKDIR /app
+# 复制应用代码
 COPY --chown=user ./pyPDAF/mcp_output /app/pyPDAF/mcp_output
 COPY --chown=user ./requirements.txt /app/requirements.txt
 
-RUN pip install --no-cache-dir --upgrade -r requirements.txt
+# 安装其他依赖
+RUN pip install --no-cache-dir -r requirements.txt
 
 ENV PYTHONPATH=/app:$PYTHONPATH
 ENV MCP_TRANSPORT=http
@@ -39,4 +24,4 @@ ENV MCP_PORT=7860
 
 EXPOSE 7860
 
-CMD ["python", "pyPDAF/mcp_output/start_mcp.py"]
+CMD ["conda", "run", "--no-capture-output", "-n", "pypdaf", "python", "pyPDAF/mcp_output/start_mcp.py"]