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Dockerfile

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+FROM python:3.10
+
+# 安装 git 并升级 pip
+RUN apt-get update && apt-get install -y git && rm -rf /var/lib/apt/lists/* && \
+    python -m pip install --upgrade pip
+
+# 创建非 root 用户
+RUN useradd -m -u 1000 user
+USER user
+ENV PATH="/home/user/.local/bin:$PATH"
+
+WORKDIR /app
+
+# 复制并安装依赖
+COPY --chown=user ./requirements.txt requirements.txt
+RUN pip install --no-cache-dir --upgrade -r requirements.txt
+
+# 复制代码
+COPY --chown=user . /app
+
+# 设置 Python 路径
+ENV PYTHONPATH=/app/rdkit/source:$PYTHONPATH
+
+# 端口与环境变量
+EXPOSE 7860
+ENV MCP_TRANSPORT=http
+ENV MCP_PORT=7860
+
+# 启动命令
+CMD ["python", "rdkit/mcp_output/start_mcp.py"]