apiVersion: v1
kind: Pod
metadata:
  name: openfold-inference-pod
spec:
  nodeSelector:
    beta.kubernetes.io/instance-type: "p3.2xlarge"
  containers:
    - name: openfold-inference-worker
      image: <ECR-registry-path>/openfold
      imagePullPolicy: Always
      
      args:
        - "/fsx-shared/openfold/fasta_dir"
        - "/fsx-shared/openfold/data/pdb_mmcif/mmcif_files/"
        - "--config_preset=model_1_ptm"
        - "--uniref90_database_path=/fsx-shared/openfold/data/uniref90/uniref90.fasta"
        - "--mgnify_database_path=/fsx-shared/openfold/data/mgnify/mgy_clusters_2018_12.fa"
        - "--pdb70_database_path=/fsx-shared/openfold/data/pdb70/pdb70"
        - "--uniclust30_database_path=/fsx-shared/openfold/data/uniclust30/uniclust30_2018_08/uniclust30_2018_08"
        - "--output_dir=/fsx-shared/openfold/output_dir/"
        - "--bfd_database_path=/fsx-shared/openfold/data/bfd/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt"
        - "--model_device=cuda:0"
        - "--jackhmmer_binary_path=/opt/conda/envs/openfold_venv/bin/jackhmmer"
        - "--hhblits_binary_path=/opt/conda/envs/openfold_venv/bin/hhblits"
        - "--hhsearch_binary_path=/opt/conda/envs/openfold_venv/bin/hhsearch"
        - "--kalign_binary_path=/opt/conda/envs/openfold_venv/bin/kalign"
        - "--openfold_checkpoint_path=/fsx-shared/openfold/openfold_params/finetuning_ptm_2.pt"
      volumeMounts:
        - name: fsx-pv
          mountPath: /fsx-shared
        # The following enables the worker pods to use increased shared memory 
        # which is required when specifying more than 0 data loader workers
        - name: dshm
          mountPath: /dev/shm
  volumes:
    - name: fsx-pv
      persistentVolumeClaim:
        claimName: fsx-pvc
    - name: dshm
      emptyDir:     
        medium: Memory