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title: cclib MCP Service
emoji: 🔧
colorFrom: blue
colorTo: indigo
sdk: docker
pinned: false
license: mit
---
# cclib MCP Service
This deployment exposes `cclib` parsing and analysis capabilities through an MCP service.
## Available Tools
- `health_check`
- `list_modules`
- `list_symbols`
- `parse_log_summary`
- `extract_attributes`
- `compute_electron_counts`
- `check_closed_shell`
- `export_parsed_output`
Tool details and examples are documented in `cclib/mcp_output/README_MCP.md`.
## Local stdio Usage
Run from `cclib/mcp_output`:
```bash
MCP_TRANSPORT=stdio python start_mcp.py
```
Or use direct plugin entrypoint:
```bash
python mcp_plugin/main.py
```
## HTTP Usage
```bash
MCP_TRANSPORT=http MCP_PORT=8000 python cclib/mcp_output/start_mcp.py
```
For Docker/HuggingFace Spaces this service runs with:
- `MCP_TRANSPORT=http`
- `MCP_PORT=7860`
Clients connect to:
```text
https://{host}/mcp
```
## Docker Run
```bash
bash run_docker.sh
```
Or on PowerShell:
```powershell
./run_docker.ps1
```
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