File size: 1,028 Bytes
1f03235
7a1e4b1
 
 
 
1f03235
 
7a1e4b1
1f03235
 
7a1e4b1
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
---
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
```