Fix nextflow.config to match WES k8s pattern

- Match p2rank's working config structure: k8s profile only sets container
- Let WES-generated profile.config handle executor, storage, and k8s settings
- Add memory (8GB) and cpu (2) resource requests
- Set params defaults to null (values provided by WES experiment_params)
- Add manifest metadata
This commit is contained in:
2026-03-23 13:51:38 +01:00
parent 42d4e6cb87
commit 5465d9b8b1
2 changed files with 27 additions and 27 deletions

View File

@@ -1,36 +1,36 @@
// 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'
}
// Global default parameters
params {
pdb = null
outdir = null
debug = false
}
profiles {
standard {
docker {
enabled = true
temp = 'auto'
runOptions = '--rm'
}
}
k8s {
process {
executor = 'k8s'
}
docker {
enabled = true
}
k8s {
storageClaimName = 'eureka-pvc'
storageMountPath = '/omic/eureka'
}
}
k8s_gpu {
process {
executor = 'k8s'
pod = [[nodeSelector: 'nvidia.com/gpu.present=true']]
accelerator = [request: 1, type: 'nvidia.com/gpu']
}
docker {
enabled = true
}
k8s {
storageClaimName = 'eureka-pvc'
storageMountPath = '/omic/eureka'
container = 'harbor.cluster.omic.ai/omic/pocketminer:latest'
}
}
}
// Process configurations
process {
cpus = 2
memory = '8 GB'
}