diff --git a/docker-compose.yaml b/docker-compose.yaml new file mode 100644 index 0000000..c2b609d --- /dev/null +++ b/docker-compose.yaml @@ -0,0 +1,64 @@ +--- +version: '3.4' + +services: + + database: + image: postgres:12.3 + container_name: aiida-database + environment: + POSTGRES_USER: pguser + POSTGRES_PASSWORD: password + #ports: + # - 5432:5432 # main port + volumes: + - aiida-postgres-db:/var/lib/postgresql/data + # optionally allow for query statistics logging + # command: postgres -c shared_preload_libraries=pg_stat_statements -c pg_stat_statements.track=all + restart: always + + messaging: + image: rabbitmq:3.8.3-management + container_name: aiida-rmq + environment: + RABBITMQ_DEFAULT_USER: guest + RABBITMQ_DEFAULT_PASS: guest + #ports: + # - 5672:5672 # main port + # - 15672:15672 # management access + volumes: + - aiida-rmq-data:/var/lib/rabbitmq/ + # optional + # - "aiida-rmq-config:/etc/rabbitmq/" + # - "aiida-rmq-log:/var/log/rabbitmq/" + restart: always + + lab: + image: yakutovich/aiidalab:latest + container_name: aiidalab + environment: + RMQHOST: messaging + TZ: Europe/Zurich + DOCKER_STACKS_JUPYTER_CMD: notebook + SETUP_DEFAULT_AIIDA_PROFILE: 'true' + AIIDALAB_DEFAULT_APPS: '' + volumes: + - aiidalab-home-folder:/home/jovyan + # optional + # - "aiida-python-venv:/opt/venv" + # - "./.bash_history:/home/aiida/.bash_history" + # (make sure the .bash_history file is already created locally) + depends_on: + - database + - messaging + ports: + - 8888:8888 # main port + + +volumes: + aiida-postgres-db: + name: aiida-postgres-db + aiida-rmq-data: + name: aiida-rmq-data + aiidalab-home-folder: + name: aiidalab-home-folder