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docker-compose.yml
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docker-compose.yml
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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
computer:
image: chrisjsewell/quantum-espresso:qe-6.5-pw
container_name: qe-mpi
volumes:
# add ssh key, shared between core and computer containers
- "./ssh_key:/home/qeuser/.ssh"
core:
image: chrisjsewell/aiida-core:qe-3.0.0
container_name: aiida-core
environment:
RMQHOST: messaging
TZ: Europe/Zurich
KNOWN_HOSTNAMES: computer
volumes:
- "aiida-object-store:/home/aiida/.aiida"
# add ssh key, shared between core and computer containers
- "./ssh_key:/home/aiida/ssh_key"
# authenticate computer at startup
# see: https://github.com/phusion/baseimage-docker#running-scripts-during-container-startup
- "./ssh_key/add-known-hosts.sh:/etc/rc.local"
# 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
- computer
volumes:
aiida-postgres-db:
name: aiida-postgres-db
aiida-rmq-data:
name: aiida-rmq-data
aiida-object-store:
name: aiida-object-store
# aiida-python-venv: