docs(tutorials): add self-hosted workspace Docker deployment guide #40
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jobs:
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build:
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runs-on: ubuntu-latest
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timeout-minutes: 30
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steps:
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- uses: actions/checkout@v4
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- uses: actions/setup-node@v4
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@@ -0,0 +1,198 @@
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---
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title: Self-Hosted Workspace Deployment with Docker
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---
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# Self-Hosted Workspace Deployment with Docker
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This guide covers running a Molecule AI workspace agent as a Docker container on a self-hosted server or VM. It covers the Docker image, required environment variables, the built-in healthcheck, graceful shutdown, and Kubernetes deployment considerations.
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> **Prerequisites:** A running Molecule AI control plane (self-hosted or SaaS), an `ADMIN_TOKEN` or org-scoped API key with admin scope, and Docker 20.10+ on the host.
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## How the workspace container works
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The Molecule AI workspace Dockerfile includes:
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- A uvicorn server on port 8000 (configurable via `PORT`)
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- A healthcheck endpoint at `/.well-known/agent-card.json` (used by Docker and Kubernetes probes)
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- Graceful SIGTERM handling via uvicorn — the heartbeat loop and adapter tasks shut down cleanly
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```
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┌─────────────────────────────────────────────┐
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│ Docker host (your VM / bare metal) │
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│ │
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│ ┌─────────────────────────────────────┐ │
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│ │ workspace container │ │
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│ │ │ │
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│ │ uvicorn (port 8000) │ │
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│ │ └─ /.well-known/agent-card.json ← HEALTHCHECK │ │
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│ │ │ │
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│ │ heartbeat loop + A2A agent │ │
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│ └──────────────┬──────────────────────┘ │
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│ │ │
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│ host.docker.internal:8080 │
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│ │ │
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│ ▼ │
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│ ┌─────────────────────────────────────┐ │
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│ │ Molecule AI control plane │ │
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│ │ (platform on port 8080) │ │
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│ └─────────────────────────────────────┘ │
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└─────────────────────────────────────────────┘
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```
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## Step 1: Create an external workspace
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First register the workspace as an external (self-managed) agent on the platform.
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```bash
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ADMIN_TOKEN="your-admin-token"
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PLATFORM_URL="https://platform.moleculesai.app" # or http://localhost:8080 for local dev
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WORKSPACE=$(curl -s -X POST "${PLATFORM_URL}/workspaces" \
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-H "Authorization: Bearer ${ADMIN_TOKEN}" \
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-H "Content-Type: application/json" \
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-d '{"name": "self-hosted-agent", "runtime": "external"}')
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WORKSPACE_ID=$(echo "$WORKSPACE" | python3 -c "import json,sys; print(json.load(sys.stdin)['id'])")
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echo "Workspace ID: $WORKSPACE_ID"
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```
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Save the returned `WORKSPACE_ID`. The workspace agent obtains its bearer token automatically during its first registration with the platform.
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## Step 2: Pull the workspace image
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The workspace image is published to the Molecule AI ECR registry. Contact your platform administrator for the registry prefix and credentials, then log in:
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```bash
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aws ecr get-login-password --region us-east-1 | \
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docker login --username AWS --password-stdin "${REGISTRY_PREFIX}.dkr.ecr.us-east-1.amazonaws.com"
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docker pull "${REGISTRY_PREFIX}.dkr.ecr.us-east-1.amazonaws.com/molecule-workspace:latest"
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```
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## Step 3: Configure environment variables
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| Variable | Default | Description |
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|---|---|---|
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| `PLATFORM_URL` | `http://localhost:8080` | Platform API URL. Inside a Docker container, use `http://host.docker.internal:8080` to reach the platform on the host machine. |
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| `WORKSPACE_ID` | — | Workspace ID from Step 1 (required; no default) |
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| `PORT` | `8000` | Agent server port. Must match `containerPort` in Kubernetes and the port mapped with `-p` in Docker. |
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## Step 4: Run the container
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### Docker (standalone)
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```bash
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docker run -d \
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--name molecule-workspace \
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-p 8000:8000 \
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-e PLATFORM_URL="http://host.docker.internal:8080" \
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-e WORKSPACE_ID="your-workspace-id" \
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-e PORT=8000 \
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"${REGISTRY_PREFIX}.dkr.ecr.us-east-1.amazonaws.com/molecule-workspace:latest"
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```
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> **Note for Linux hosts:** Docker does not include `host.docker.internal` by default. On Linux, either add `--add-host=host.docker.internal:host-gateway` to the `docker run` command, or use the host machine's IP address directly (e.g. `http://192.168.1.100:8080`).
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### Verify the healthcheck
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```bash
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# Wait for the container to become healthy (up to ~2 minutes)
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docker inspect --format='{{.State.Health.Status}}' molecule-workspace
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# Expected output: healthy
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# Once healthy, the agent card is reachable:
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curl -s http://localhost:8000/.well-known/agent-card.json | python3 -m json.tool
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```
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### Docker Compose
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```yaml
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services:
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molecule-workspace:
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image: "${REGISTRY_PREFIX}.dkr.ecr.us-east-1.amazonaws.com/molecule-workspace:latest"
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ports:
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- "8000:8000"
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environment:
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PLATFORM_URL: "http://host.docker.internal:8080"
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WORKSPACE_ID: "your-workspace-id"
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PORT: "8000"
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# Linux hosts: add host.docker.internal resolution
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# extra_hosts:
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# - "host.docker.internal:host-gateway"
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restart: unless-stopped
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healthcheck:
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test: ["CMD", "curl", "-f", "http://localhost:8000/.well-known/agent-card.json"]
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interval: 30s
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timeout: 5s
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retries: 3
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start_period: 30s
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```
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## Step 5: Graceful shutdown
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When the container receives SIGTERM (e.g. from `docker stop` or Kubernetes pod deletion), the workspace's uvicorn server initiates graceful shutdown: the heartbeat loop stops, active A2A tasks are given a grace period to complete, and any snapshotable state is persisted before the process exits.
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To integrate the heartbeat loop into custom agent code:
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```python
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import asyncio
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import os, signal
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from heartbeat import HeartbeatLoop
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# SIGTERM is handled by the Docker runtime, which sends the signal to the
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# workspace process. The workspace (via uvicorn) initiates graceful shutdown:
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# the heartbeat loop is stopped, any active adapter tasks are cancelled, and
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# in-flight A2A requests are given a grace period to complete.
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#
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# For custom integration with the heartbeat loop directly:
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async def main():
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heartbeat = HeartbeatLoop(
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platform_url=os.environ["PLATFORM_URL"],
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workspace_id=os.environ["WORKSPACE_ID"],
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)
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heartbeat.start()
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try:
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await asyncio.Event().wait() # keep running
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finally:
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await heartbeat.stop()
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print("Heartbeat loop stopped.")
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```
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The Docker `stop` command sends SIGTERM and waits up to 10 seconds by default before sending SIGKILL. The healthcheck ensures orchestrators detect an unhealthy container before the SIGTERM timeout.
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## Kubernetes deployment
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For Kubernetes deployments, use the native liveness/readiness probe configuration instead of the Docker HEALTHCHECK:
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```yaml
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ports:
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- name: http
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containerPort: 8000
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livenessProbe:
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httpGet:
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path: /.well-known/agent-card.json
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port: http
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initialDelaySeconds: 30
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periodSeconds: 30
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timeoutSeconds: 5
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failureThreshold: 3
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readinessProbe:
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httpGet:
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path: /.well-known/agent-card.json
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port: http
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initialDelaySeconds: 10
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periodSeconds: 10
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timeoutSeconds: 5
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failureThreshold: 3
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terminationGracePeriodSeconds: 120
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```
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> **Note:** The Kubernetes `terminationGracePeriodSeconds` should exceed the liveness probe failure threshold so that the probe can register a failure before the pod is killed. With `periodSeconds: 30` and `failureThreshold: 3`, the probe does not register a failure until approximately 120–150s after the container becomes unhealthy. Set `terminationGracePeriodSeconds: 120` or higher.
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## Troubleshooting
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| Symptom | Cause | Fix |
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| Container shows `unhealthy` after startup | Platform unreachable from container | Verify `PLATFORM_URL` uses `host.docker.internal` (Docker) or the correct host IP |
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| `curl: (7) Failed to connect` on healthcheck | Container not fully started | Wait up to 30s; increase `start_period` |
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| Agent not appearing on canvas | Wrong `WORKSPACE_ID` or expired token | Re-run registration; check platform logs |
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| `host.docker.internal` not resolved | Linux host without the Docker flag | Use `--add-host=host.docker.internal:host-gateway` or the host's LAN IP |
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