manifest {
    name                = 'Dream Dock'
    author              = 'omic'
    recurseSubmodules   = true
    homePage            = 'https://gitlab.com/omic/next/registry/pipelines/dreamdock'
    description         = 'Small drug creation based on a protein target'
    mainScript          = 'main.nf'
    nextflowVersion     = '!>=21.04.3'
    defaultBranch       = 'master'
}

docker {
    enabled = true
    temp = 'auto'
}

profiles {
  k8s {
    process.executor = 'k8s'
    process.namespace = 'bioinformatics'  
    process.debug = true

    workDir = "/mnt/dreamdock-data/work"

    k8s {
      serviceAccount = 'nextflow-sa'
      namespace = 'bioinformatics'
      storageClaimName = 'dreamdock-data'
      storageMountPath = '/mnt/dreamdock-data'
      
      pullPolicy = 'IfNotPresent'
      cleanup = true                    // delete pods after Ctrl+C or finished?
      

      // RUN AS DIFFERENT USERS
      // securityContext = [fsGroup: 1000]
      // securityContext = [
      //   runAsUser: 1000,
      //   fsGroup: 1000,
      //   runAsNonRoot: true
      // ]
    }
    
    // Use container image
    // process.container = 'harbor.cluster.omic.ai/omic/faiss-indexer:latest'

    // Pod-level customization
    process.pod = [
      [env: 'NXF_DEBUG', value: '0'],
      [label: 'omic-app', value: 'dreamdock'],
      [imagePullSecret: 'gitlab-registry-secret'],
      [hostPath: '/mnt/ZINC-22/', mountPath: '/mnt/ZINC-22/'],
      [nodeSelector: [gpu: 'yes', 'gpu-type': 'rtx-3090']],
      [volumeClaim: 'conplex-index-builder-data', mountPath: '/mnt/conplex-index/']
      //[nodeSelector: [gpu: 'yes', 'kubernetes.io/hostname': 'k8s-node25']],
      // [privileged: true],
    ]

  }

  docker {
    // Docker/Singularity configuration
    docker {
      enabled = true
      runOptions = '--rm'
    }
  }
}