generated from DAM/ts-TEMPLATE
131 lines
4.7 KiB
Markdown
131 lines
4.7 KiB
Markdown
# Cheminformatics with Tailscale Integration
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This project sets up a Cheminformatics instance with Tailscale VPN integration using Docker Compose. It creates a secure, private network connection for your Cheminformatics instance using Tailscale.
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## ** IMPORTANT NOTE **
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Due to the somewhat atypical nature of this project and the current lack of multi-arch images available in public registries this deployment requires more configuration and depends on a local build of the images to ensure a reliable deployment.
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## Prerequisites
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- Docker and Docker Compose installed on your system
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- A Tailscale account and auth key (get one from https://login.tailscale.com/admin/authkeys)
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- Tailscale SSL certs are enabled in the admin page.
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- Basic understanding of Docker and networking concepts
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## Project Structure
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```
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ts-cheminformatics/
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├── docker-compose.yml
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├── tailscale/
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│ ├── tailscale-data/ # Persistent Tailscale state
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│ └── config/ # Tailscale configuration files
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└── cheminformatics-microservice/ # Cheminformatics Source Code
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```
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## Setup Instructions
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1. **Clone the Repository**
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```bash
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git clone https://gitea.damconsulting.llc/DAM/ts-cheminformatics
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cd ts-cheminformatics
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git clone https://github.com/Steinbeck-Lab/cheminformatics-microservice.git
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```
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2. Create Required Directories
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```bash
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mkdir -p tailscale/tailscale-data
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```
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3. Configure Tailscale
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- Replace `{{YOUR_TAILSCALE_AUTHKEY}}` in the docker-compose.yml with your actual Tailscale auth key
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- Optionally, update the file in `tailscale/config/serve.json` if you need specific Tailscale serve configurations
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- CAUTION: Changing `"${TS_CERT_DOMAIN}:443": false` to `true` will expose the service to the internet
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4. Configure Cheminformatics
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- At the end of `./ts-cheminformatics/cheminformatics-microservice/Dockerfile` change `--port 80` to `--port 8080`
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- See the [documentation](https://docs.api.naturalproducts.net/introduction.html) for supplimental options
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5. Start the Services
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```bash
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docker compose up -d
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```
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6. Wait for Certificate to propagate [~2m]
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7. Login
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- After starting the services your service should be available via tailnet at https://cheminformatics.{{YOUR_TAILNET_DOMAIN}}.ts.net ie https://cheminformatics.tail12345.ts.net/
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## Services
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### cheminformatics-ts (Tailscale)
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- Runs Tailscale VPN client
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- Image: tailscale/tailscale:latest
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- Container name: cheminformatics-ts
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- Hostname: cheminformatics
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- Requires NET_ADMIN and SYS_MODULE capabilities
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- Persists state in ./tailscale/tailscale-data
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- Uses configuration from ./tailscale/config
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### cheminformatics-backend
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- Depends on cheminformatics-ts service
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### cheminformatics-frontend
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- Depends on cheminformatics-ts service
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## Usage
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- After starting the services your service should be available via tailnet at `https://cheminformatics.{{YOUR_TAILNET_DOMAIN}}.ts.net` ie `https://cheminformatics.tail12345.ts.net/`
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- To manually get the Tailscale IP/hostname of your container:
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```bash
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docker logs cheminformatics-ts
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```
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Look for the Tailscale IP address in the logs.
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## Optional Features
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- Uncomment and adjust the ports mapping if you need direct access (without Tailscale):
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```yaml
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ports:
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- 8080:8080
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- 80:80
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```
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- Stopping the Services
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```bash
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docker compose down
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```
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- Connect to Prometheus
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assuming you already have a prometheus instance in your tailnet add the following to your prometheus.yml configuration file:
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```yaml
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- job_name: 'cheminformatics'
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scrape_interval: 10s
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metrics_path: /metrics
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static_configs:
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- targets: ['cheminformatics:8080']
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```
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## Troubleshooting
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- Check container logs:
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```bash
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docker logs cheminformatics-ts
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docker logs cheminformatics-backend
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docker logs cheminformatics-frontend
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```
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- Ensure your Tailscale auth key is valid and not expired
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- Verify the configuration files have proper permissions
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- Make sure required directories exist before starting
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## Notes
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- The Cheminformatics service uses the Tailscale service's network stack via `network_mode: service:cheminformatics-ts`
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- Direct port mapping is disabled by default as Tailscale handles the networking
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- Services restart automatically unless explicitly stopped
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- For more information:
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- Tailscale documentation: https://tailscale.com/kb/
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- Cheminformatics [documentation](https://docs.api.naturalproducts.net/introduction.html)
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- Cheminformatics [repository](https://github.com/Steinbeck-Lab/cheminformatics-microservice/) |