CFChemAPI

API for fetching data from CFDE Chemical Database (CFChemDb).

Requirements

• Docker
• Docker Compose

Setup (Development/Local)

1. Copy app/.env.example to app/.env
2. Edit the app/.env credentials to point to the cfchem database
3. Run docker compose --env-file ./app/.env -f compose-development.yml up --build

The API should now be accessible from localhost:8000

Development Notes

Upgrading Dependencies

If one finds they need to update dependencies (requirements.txt), the following steps can be followed:

1. If a new package is required, add it to requirements.in
2. Setup and activate a Python (v3.14) virtual environment. For example, with conda use:

   conda create -n cfchem-api python=3.14 && conda activate cfchem-api
   

3. Install pip-tools: pip install pip-tools
4. Compile new requirements: pip-compile --upgrade
   • Make sure you are in the app/ directory: cd app/
5. (Optional) Test the update locally in your environment: pip-sync

Note: If you need to update the Python version, make sure to adjust the steps above accordingly and to update the Python image in Dockerfile.

Documentation

• A full set of Swagger documentation can be found at http://localhost:8000/apidocs

Setup (Production on Chiltepin)

1. Copy production_env.example to .env: cp production_env.example .env
2. Fill in/edit the .env credentials as needed
3. Update apache2 config:
   • Create a new file for apache2 config: /etc/apache2/sites-available/cfchemapi.conf
   • Add the following line to /etc/apache2/apache2.conf:

     Include /etc/apache2/sites-available/cfchemapi.conf
     

   • Update the apache2 virtual config file: /etc/apache2/sites-enabled/000-default.conf
   • Run config check: sudo apachectl configtest
   • (If config check passed) reload apache: sudo systemctl reload apache2
4. (If server was previously up): docker-compose down
5. Run docker-compose up --build -d

If you only need to update a single service (e.g., the UI) you don't need to do a full restart (with down + up). Instead, you can use this approach:

1. Run docker-compose build cfchem_ui
2. Then docker-compose up cfchem_ui
3. (Recommended) Restart nginx: docker-compose restart nginx