README

ClusterCAD: a computational platform for type I modular polyketide synthase design

Copyright (c) 2022, The Regents of the University of California, through
Lawrence Berkeley National Laboratory (subject to receipt of any required
approvals from the U.S. Dept. of Energy).  All rights reserved.

Starting service (connect to HTTP at http://127.0.0.1:8000/):
docker-compose up -d

Starting service with num_workers celery workers: 
docker-compose up --scale celery=num_workers

Loading PKS data into database:
docker-compose exec web /bin/bash -c 'cd pipeline && make clean && make all'

Shutting down (restart possible with up -d):
docker-compose stop

Shut down and delete all containers:
docker-compose down 

Building images:
docker-compose build

Running commands inside running web container:
docker-compose exec web /bin/bash

Creating a superuser for /admin:
docker-compose exec web python3 manage.py createsuperuser

Obtaining a Django shell:
docker-compose exec web python3 manage.py shell

Running jupyter notebook for development:
docker-compose exec web jupyter notebook --no-browser --allow-root --ip 0.0.0.0 --port 8888