// Manifest for Nextflow metadata manifest { name = 'pocketminer-Nextflow' author = 'Olamide' homePage = 'https://github.com/Mickdub/gvp' description = 'Nextflow pipeline for PocketMiner - cryptic binding pocket prediction using geometric deep learning' mainScript = 'main.nf' version = '1.0.0' } // S3/MinIO plugin for direct S3 access (bypasses PVC mount issues) plugins { id 'nf-amazon' } aws { client { endpoint = 'http://datalake-hl.datalake.svc.cluster.local:9000' s3PathStyleAccess = true } } // Global default parameters params { pdb = "s3://omic/eureka/Pocketminer/1HSG.pdb" outdir = "s3://omic/eureka/Pocketminer/output" debug = false } // Profiles for different execution environments profiles { standard { docker { enabled = true temp = 'auto' } } k8s { process { executor = 'k8s' container = 'harbor.cluster.omic.ai/omic/pocketminer:latest' } docker { enabled = true } k8s { storageClaimName = 'eureka-pvc' storageMountPath = '/omic/eureka' } } } // Process configurations process { cpus = 2 memory = '8 GB' }