docker-compose.dev.vector.yml

---
version: "3"

services:
  database:
    # image: postgres:15.12-alpine3.21
    image: kaliif/pgvectorimage:latest
    # image: informaticsmatters/rdkit-cartridge-debian:Release_2024_03_6
    volumes:
      - ../data/postgre/data:/var/lib/postgresql
    environment:
      POSTGRES_PASSWORD: fragalysis
      POSTGRES_USER: fragalysis
      POSTGRES_DB: frag
      PGDATA: /var/lib/postgresql/data/pgdata
    ports:
      - "5432:5432"
    healthcheck:
      test:
        [
          "CMD-SHELL",
          "pg_isready -U $$POSTGRES_USER -d $$POSTGRES_DB -h localhost",
        ]
      interval: 5s
      timeout: 5s
      retries: 20
  redis:
    # image: redis:7.0.12-alpine3.18
    image: redis:7.2.3-alpine3.18
    container_name: redis
    ports:
      - "6379:6379"
    healthcheck:
      test: redis-cli ping
      interval: 10s
      timeout: 2s
      retries: 5
      start_period: 10s
  graph:
    container_name: neo4j
    image: informaticsmatters/fragnet-test:3.5.25-xchem-combi-sample-2021-02
    ports:
      # Comment these two out in produciton
      - "7474:7474"
      - "7687:7687"
    ulimits:
      nofile:
        soft: 40000
        hard: 40000
    environment:
      GRAPH_PASSWORD: test123
      CYPHER_PRE_NEO4J_SLEEP: 0
      NEO4J_dbms_memory_pagecache_size: 4G
    healthcheck:
      test: wget http://localhost:7474 || exit 1
      interval: 10s
      timeout: 10s
      retries: 20
      start_period: 10s
  web:
    container_name: web_dock
    image: xchem/fragalysis-stack:latest
    # image: xchem/fragalysis-backend:m2ms-1649-refresh-fix
    # image: boriskovarm2ms/fragalysis-stack:experiment2
    # image: kaliif/fragalysis-backend:download-task
    # image: kaliif/fragalysis-backend:coordinate-filter
    command: /bin/bash /code/launch-stack.sh
    volumes:
      - ../data/logs:/code/logs/
      - ../data/media:/code/media/
      - ../fragalysis-frontend:/code/frontend
      - ../data/target:/code/target
    ports:
      - "8080:80"
    environment:
      POSTGRESQL_DATABASE: frag
      POSTGRESQL_USER: fragalysis
      POSTGRESQL_PASSWORD: fragalysis
      POSTGRESQL_HOST: database
      POSTGRESQL_PORT: 5432
      NEO4J_AUTH: neo4j/test123
      # DISCOURSE_API_KEY: ${DISCOURSE_API_KEY}
      FRAGALYSIS_BACKEND_SENTRY_DNS: https://27fa0675f555431aa02ca552e93d8cfb@o194333.ingest.sentry.io/1298290
      ISPYB_FLAG: "False"
      # DISCOURSE_DEV_POST_SUFFIX: '-boris-local'
      # DISCOURSE_HOST: 'https://discourse.xchem-dev.diamond.ac.uk'
      SQUONK2_UI_URL: "https://data-manager-ui.xchem-dev.diamond.ac.uk/data-manager-ui"
      SQUONK2_DMAPI_URL: "https://data-manager.xchem-dev.diamond.ac.uk/data-manager-api"
      SQUONK2_ASAPI_URL: "https://account-server.xchem-dev.diamond.ac.uk/account-server-api"
      SQUONK2_ORG_OWNER: ${SQUONK2_ORG_OWNER}
      SQUONK2_ORG_OWNER_PASSWORD: ${SQUONK2_ORG_OWNER_PASSWORD}
      SQUONK2_ORG_UUID: ${SQUONK2_ORG_UUID}
      SQUONK2_PRODUCT_FLAVOUR: "SILVER"
      SQUONK2_SLUG: ${SQUONK2_SLUG}
      SQUONK2_UNIT_BILLING_DAY: 3
      OIDC_AS_CLIENT_ID: "account-server-api-dev"
      OIDC_DM_CLIENT_ID: "data-manager-api-dev"
      OIDC_KEYCLOAK_REALM: "https://keycloak.xchem-dev.diamond.ac.uk/auth/realms/xchem"
      OIDC_RP_CLIENT_SECRET: ${OIDC_RP_CLIENT_SECRET}
      OIDC_RP_CLIENT_ID: "fragalysis-local"
      OIDC_RENEW_ID_TOKEN_EXPIRY_MINUTES: 210
      # ISPYB_HOST: ispybdbproxy.diamond.ac.uk
      ISPYB_PORT: 4306
      ISPYB_USER: ${ISPYB_USER}
      ISPYB_PASSWORD: ${ISPYB_PASSWORD}
      SECURITY_CONNECTOR: ssh_ispyb
      LOGGING_FRAMEWORK_ROOT_LEVEL: DEBUG
      AUTHENTICATE_UPLOAD: "False"
      CELERY_TASK_ALWAYS_EAGER: "False"
      DEBUG_FRAGALYSIS: "True"
      PROXY_FORWARDED_PROTO_HEADER: "http"
      LEGACY_URL: "https://fragalysis.diamond.ac.uk"
      DEPLOYMENT_MODE: "development"
      DISABLE_RESTRICT_PROPOSALS_TO_MEMBERSHIP: "True"
      PUBLIC_TAS: "lb18145-1,lb32633-1"
      RESTRICTED_TAS_USERS: "spf57946:lb32627-261"
      WEB_DJANGO_SUPERUSER_PASSWORD: ${WEB_DJANGO_SUPERUSER_PASSWORD}
      SQUONK2_REFRESH_SHOULD_RETRIEVE_RESULTS: "Yes"
      # INFECTIONS: 'structure-download'
    healthcheck:
      test: python manage.py --help || exit 1
      interval: 10s
      timeout: 10s
      retries: 20
      start_period: 10s
    depends_on:
      database:
        condition: service_healthy
      redis:
        condition: service_healthy
      graph:
        condition: service_healthy
  celery_worker:
    command: sh -c "celery -A fragalysis worker -l info"
    container_name: celery_worker
    depends_on:
      database:
        condition: service_healthy
      redis:
        condition: service_healthy
      graph:
        condition: service_healthy
    hostname: celery_worker
    env_file:
      - .env
    # image: ${BE_NAMESPACE:-xchem}/fragalysis-backend:${BE_IMAGE_TAG:-latest}
    # image: kaliif/fragalysis-backend:download-task
    # image: kaliif/fragalysis-backend:coordinate-filter
    image: xchem/fragalysis-stack:latest
    restart: on-failure
    volumes:
      - ../data/logs:/code/logs/
      - ../data/media:/code/media/
    environment:
      AUTHENTICATE_UPLOAD: "False"
      DEPLOYMENT_MODE: "development"
      POSTGRESQL_DATABASE: frag
      POSTGRESQL_USER: fragalysis
      POSTGRESQL_PASSWORD: fragalysis
      POSTGRESQL_HOST: database
      POSTGRESQL_PORT: 5432
      # Comma-separated dforced errors (infections?)
      INFECTIONS: ""
      # Celery tasks need to run synchronously
      CELERY_TASK_ALWAYS_EAGER: "False"
      # Error reporting and default/root log-level
      FRAGALYSIS_BACKEND_SENTRY_DNS: ${FRAGALYSIS_BACKEND_SENTRY_DNS}
      LOGGING_FRAMEWORK_ROOT_LEVEL: ${LOGGING_FRAMEWORK_ROOT_LEVEL:-INFO}
      # Keycloak configuration
      OIDC_KEYCLOAK_REALM: ${OIDC_KEYCLOAK_REALM}
      OIDC_RP_CLIENT_ID: ${OIDC_RP_CLIENT_ID:-fragalysis-local}
      OIDC_RP_CLIENT_SECRET: ${OIDC_RP_CLIENT_SECRET}
      OIDC_AS_CLIENT_ID: ${OIDC_AS_CLIENT_ID:-account-server-api}
      OIDC_DM_CLIENT_ID: ${OIDC_DM_CLIENT_ID:-data-manager-api}
      OIDC_RENEW_ID_TOKEN_EXPIRY_MINUTES: "210"
      # Public target access strings?
      # A comma-separated list of Project titles.
      PUBLIC_TAS: ${PUBLIC_TAS:-lb18145-1}
      # Squonk configuration
      SQUONK2_VERIFY_CERTIFICATES: "No"
      SQUONK2_UNIT_BILLING_DAY: 3
      SQUONK2_PRODUCT_FLAVOUR: BRONZE
      SQUONK2_SLUG: fs-local
      SQUONK2_ORG_OWNER: ${SQUONK2_ORG_OWNER}
      SQUONK2_ORG_OWNER_PASSWORD: ${SQUONK2_ORG_OWNER_PASSWORD}
      SQUONK2_ORG_UUID: ${SQUONK2_ORG_UUID}
      SQUONK2_UI_URL: ${SQUONK2_UI_URL}
      SQUONK2_DMAPI_URL: ${SQUONK2_DMAPI_URL}
      SQUONK2_ASAPI_URL: ${SQUONK2_ASAPI_URL}
      PROXY_FORWARDED_PROTO_HEADER: ${PROXY_FORWARDED_PROTO_HEADER:-http}
  celery_beat:
    command: sh -c "celery -A fragalysis beat -l info --scheduler django_celery_beat.schedulers:DatabaseScheduler"
    container_name: celery_beat
    depends_on:
      database:
        condition: service_healthy
      redis:
        condition: service_healthy
      graph:
        condition: service_healthy
    hostname: celery_beat
    env_file:
      - .env
    # image: ${BE_NAMESPACE:-xchem}/fragalysis-backend:${BE_IMAGE_TAG:-latest}
    # image: kaliif/fragalysis-backend:download-task
    image: xchem/fragalysis-stack:latest
    # image: kaliif/fragalysis-backend:coordinate-filter
    restart: on-failure