47 lines
1.2 KiB
YAML
47 lines
1.2 KiB
YAML
version: '3.9'
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# 定义通用的环境变量
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x-env: &common_env
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O3_BABEL_PATH: "/usr/bin"
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O3_GNUPLOT: "/usr/bin/gnuplot"
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O3_PYMOL: "/usr/bin/pymol"
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O3_TEMP_PATH: "/tmp"
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O3_QM_ENGINE: "/opt/orca/orca"
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O3_MD_GRID_PATH: "/usr/bin/mdgrid"
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O3_CS3D: "/usr/bin/cs3d"
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services:
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# 基础服务
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open3dqsar:
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build:
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context: docker
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dockerfile: ${DOCKERFILE}
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image: hotwa/open3dqsar:${TAG}
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container_name: open3dqsar_${ENV}
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environment:
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<<: *common_env # 引用通用的环境变量
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ENV: ${ENV} # 动态设置 ENV 变量
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volumes:
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- ./data:/Open3DQSAR/data
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ports:
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- "${PORT}:8080"
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# 开发环境服务
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open3dqsar_dev:
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profiles: ["dev"] # 开发环境 profile
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extends:
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service: open3dqsar
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environment:
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<<: *common_env # 引用通用的环境变量
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ENV: dev # 开发环境标识
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volumes:
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- ./src/Open3DQSAR:/Open3DQSAR # 映射源代码目录，便于开发调试
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# 生产环境服务
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open3dqsar_prod:
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profiles: ["prod"] # 生产环境 profile
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extends:
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service: open3dqsar
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environment:
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<<: *common_env # 引用通用的环境变量
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ENV: prod # 生产环境标识 |