aiida-docker-quickstart/.env at main · stillfast/aiida-docker-quickstart · GitHub

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# ==============================================================================
# AiiDA Docker Environment Configuration
# ==============================================================================
# This is the SINGLE SOURCE OF TRUTH for all Docker services
# Docker Compose automatically loads this file when running in this directory

# ==============================================================================
# PostgreSQL Configuration
# ==============================================================================
POSTGRES_USER=aiida_user
POSTGRES_PASSWORD=123
POSTGRES_DB=aiida_db
PGDATA=/var/lib/postgresql/data

# ==============================================================================
# RabbitMQ Configuration
# ==============================================================================
RABBITMQ_USER=aiida
RABBITMQ_PASSWORD=123
RABBITMQ_VHOST=aiida

# ==============================================================================
# AiiDA Database Connection (uses Docker service names)
# ==============================================================================
DB_HOST=postgres
DB_PORT=5432
DB_USER=${POSTGRES_USER}
DB_PASSWORD=${POSTGRES_PASSWORD}
DB_NAME=${POSTGRES_DB}

# ==============================================================================
# AiiDA RabbitMQ Connection (uses Docker service names)
# ==============================================================================
RABBITMQ_HOST=rabbitmq
RABBITMQ_PORT=5672

# ==============================================================================
# PostgreSQL SSL Configuration
# ==============================================================================
PGGSSENCMODE=disable

# ==============================================================================
# AiiDA User Information
# ==============================================================================
USER_EMAIL=your.email@example.com
USER_FIRSTNAME=YourFirstName
USER_LASTNAME=YourLastName
USER_INSTITUTION=YourInstitution

# ==============================================================================
# AiiDA Profile Configuration
# ==============================================================================
PROFILE_NAME=docker
REPO_URI=file:///var/lib/aiida/repository

# ==============================================================================
# SSH Configuration
# ==============================================================================
SSH_KEY_DIR=/ssh_host
SSH_CONFIG_DIR=/root/.ssh
COMPUTER_WORKDIR=/home/aiida/workdir