| --- |
| 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 |
| ``` |
|
|
