version: '3.7'
services:
  orca_service:
    image: hotwa/orca:resp
    container_name: orca_resp
    privileged: true
    cap_add:
      - ALL
      - CAP_SYS_PTRACE
    shm_size: "32gb"
    ulimits:
      memlock:
        soft: -1  # -1 代表没有限制
        hard: -1  # -1 代表没有限制
      stack:
        soft: -1  # -1 代表没有限制
        hard: -1  # -1 代表没有限制
    environment:
      - OMP_STACKSIZE=1000M
      - ORCA=/root/orca_6_0_0_shared_openmpi416_avx2/orca
      - ORCA_2MKL=/root/orca_6_0_0_shared_openmpi416_avx2/orca_2mkl
      - NPROCS=10
      - MAXCORE=1000
    volumes:
      - ./script/RESP_ORCA.sh:/root/script/RESP_ORCA.sh
    ports:
      - "54211:22"  # SSH 服务端口映射
    command: ["/usr/sbin/sshd", "-D"]