demeter-mcp
MCP bridge for Demeter / Artemis / IFEFFIT EXAFS fitting. Lets Grok (or any MCP client) run headless fits, build Artemis projects, generate LaTeX reports, and launch the Artemis GUI.
Requirements
- Windows (tested)
- Demeter / Artemis (e.g.
<DEMETER_INSTALL_DIR>) - Python 3.10+ with
mcppackage - XeLaTeX (optional, for PDF reports via
demeter_fit_and_report)
Grok configuration
Add to ~/.grok/config.toml:
[mcp_servers.demeter]
command = "D:\\anaconda3\\python.exe"
args = ["C:\\path\\to\\demeter-mcp\\server.py"]
env = { DEMETER_BASE = "D:\\DemeterPerl", DEMETER_PYTHON = "D:\\anaconda3\\python.exe" }
enabled = true
startup_timeout_sec = 30
tool_timeout_sec = 900Restart Grok and verify with /mcps.
MCP tools (6)
| Tool | Description | |------|-------------| | demeter_check | Verify Demeter/Perl/IFEFFIT | | demeter_list_prj_records | List Athena .prj records | | demeter_run_fit | Generic headless EXAFS fit | | demeter_build_artemis_project | Build .fpj (2-shell a-MoO�?model) | | demeter_fit_and_report | One-click Fit_XX batch (fpj + PDF + other/) | | demeter_open_artemis | Launch Artemis GUI |
One-click fit batch
demeter_fit_and_report with project_base pointing to your XAFS project root:
project_base = <YOUR_XAFS_PROJECT_DIR>Defaults: data/MoOx.prj, results/Feff_aMoO3/feff.inp, ΔE₀ restrained to ±10 eV.
Output layout:
Fit_XX/
├── *.fpj
├── *_report.pdf
└── other/ # tex, json, logsCLI (without MCP)
python scripts/fit_and_report.py config.jsonLicense
MIT
