version: '3.9'

# 定义通用的环境变量
x-env: &common_env
  O3_BABEL_PATH: "/usr/bin"
  O3_GNUPLOT: "/usr/bin/gnuplot"
  O3_PYMOL: "/usr/bin/pymol"
  O3_TEMP_PATH: "/tmp"
  O3_QM_ENGINE: "/opt/orca/orca"
  O3_MD_GRID_PATH: "/usr/bin/mdgrid"
  O3_CS3D: "/usr/bin/cs3d"

services:
  # 基础服务
  open3dqsar:
    build:
      context: docker
      dockerfile: ${DOCKERFILE}
    image: hotwa/open3dqsar:${TAG}
    container_name: open3dqsar_${ENV}
    environment:
      <<: *common_env  # 引用通用的环境变量
      ENV: ${ENV}  # 动态设置 ENV 变量
    volumes:
      - ./data:/Open3DQSAR/data
    ports:
      - "${PORT}:8080"

  # 开发环境服务
  open3dqsar_dev:
    profiles: ["dev"]  # 开发环境 profile
    extends:
      service: open3dqsar
    environment:
      <<: *common_env  # 引用通用的环境变量
      ENV: dev  # 开发环境标识
    volumes:
      - ./src/Open3DQSAR:/Open3DQSAR  # 映射源代码目录，便于开发调试

  # 生产环境服务
  open3dqsar_prod:
    profiles: ["prod"]  # 生产环境 profile
    extends:
      service: open3dqsar
    environment:
      <<: *common_env  # 引用通用的环境变量
      ENV: prod  # 生产环境标识