Update mcp_output/requirements.txt

mcp_output/requirements.txt

@@ -1,43 +1,33 @@
-# MatDeepLearn MCP Service Requirements
-
-# Core MCP Framework
-fastmcp>=0.1.0
-
-# PyTorch - CPU version for HuggingFace Space (lighter weight)
---extra-index-url https://download.pytorch.org/whl/cpu
-torch>=2.0.0
-
-# PyTorch Geometric
-torch-scatter
-torch-sparse
-torch-cluster
-torch-spline-conv
-torch-geometric>=2.0.0
-
-# Scientific Computing
-numpy>=1.20.0
-scipy>=1.6.0
-scikit-learn>=0.24.0
-
-# Materials Science
-ase>=3.20.0
-pymatgen>=2022.0.0
-
-# Descriptors (optional, for SOAP/SM models)
-dscribe>=1.0.0
-
-# Configuration
-pyyaml>=5.4.0
-
-# Visualization (optional)
-matplotlib>=3.1.0
-
-# Hyperparameter Optimization (optional)
-ray[tune]>=2.0.0
-
-# Utilities
-joblib>=0.13.0
-
-# HTTP Server
-uvicorn>=0.20.0
-starlette>=0.25.0
+# MatDeepLearn MCP Service Requirements
+
+# Core MCP Framework
+fastmcp>=2.0.0
+
+# PyTorch - CPU version for HuggingFace Space
+torch>=2.0.0
+
+# PyTorch Geometric - 使用预编译的 wheel
+# 注意：torch-scatter, torch-sparse 等需要在 Dockerfile 中单独安装
+torch-geometric>=2.0.0
+
+# Scientific Computing
+numpy>=1.20.0
+scipy>=1.6.0
+scikit-learn>=0.24.0
+
+# Materials Science
+ase>=3.20.0
+pymatgen>=2022.0.0
+
+# Configuration
+pyyaml>=5.4.0
+
+# Visualization (optional)
+matplotlib>=3.1.0
+
+# Utilities
+joblib>=0.13.0
+
+# HTTP Server
+uvicorn>=0.20.0
+starlette>=0.25.0