cd /Users/a/dev/DecimerMCPServer
uv venv
uv sync

uv run decimer-mcp-server

uv run python -m decimer_mcp_server

{
  "mcpServers": {
    "decimer": {
      "command": "uv",
      "args": ["run", "python", "-m", "decimer_mcp_server"],
      "env": {
        "DECIMER_API_BASE_URL": "http://localhost:8099"
      }
    }
  }
}

{
  "ok": true,
  "smiles": "CCO",
  "reason": null,
  "api_status_code": 200,
  "api_message": null,
  "classifier_score": 0.0000012,
  "classifier_threshold": 0.3,
  "classifier_decision": "structure_like"
}

{
  "ok": true,
  "smiles": null,
  "reason": "not_chemical_structure",
  "api_status_code": 200,
  "api_message": "No SMILES returned by API",
  "classifier_score": 0.99999,
  "classifier_threshold": 0.3,
  "classifier_decision": "not_structure_like"
}

uv sync --extra dev
uv run pytest

make sync
make test

cd /Users/a/dev/DecimerMCPServer
DECIMER_API_BASE_URL=http://chitchat:8099 uv run decimer-mcp-smoke-test --image /Users/a/dev/DecimerServerAPI/example_usage/structure.png

uv run --env-file .env decimer-mcp-smoke-test --image /Users/a/dev/DecimerServerAPI/example_usage/structure.png

make smoke

make smoke SMOKE_IMAGE=/absolute/path/to/image.png

## MCP Registry publishing

Tags matching `v*` trigger `.github/workflows/publish-mcp.yml`.

Workflow steps:
- installs `mcp-publisher`
- validates `server.json`
- calls registry publish using secret `MCP_REGISTRY_TOKEN`
- publishes slug `io.github.DocMinus/decimer-mcp-server` (case sensitive; must match registry grant)

Before tagging:
1. Update `pyproject.toml` + `server.json` versions
2. Ensure `server.json` stays valid (`uv pip install jsonschema && python validate snippet from AGENTS.md`)
3. Add GitHub repo secret `MCP_REGISTRY_TOKEN` (GitHub PAT with `repo`, `workflow` scopes)

Release flow:
```bash
git tag v0.1.1
git push origin v0.1.1

## Contribution
This project was built by DocMinus with AI-assisted coding support (OpenCode/Copilot-style tooling), then reviewed and tested by the author.

## AI usage policy

- AI assistance was used for scaffolding, implementation drafts, and documentation edits.
- Final technical decisions, validation runs, and acceptance were performed by the maintainer.
- Runtime behavior should be validated with local tests (`make test`) and smoke tests (`make smoke`) before release.