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
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@@ -1,36 +1,36 @@
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// Manifest for Nextflow metadata
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manifest {
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name = 'pocketminer-Nextflow'
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author = 'Olamide'
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homePage = 'https://github.com/Mickdub/gvp'
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description = 'Nextflow pipeline for PocketMiner - cryptic binding pocket prediction using geometric deep learning'
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mainScript = 'main.nf'
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version = '1.0.0'
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}
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// Global default parameters
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params {
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pdb = null
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outdir = null
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debug = false
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}
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profiles {
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standard {
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docker {
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enabled = true
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temp = 'auto'
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runOptions = '--rm'
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}
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}
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k8s {
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process {
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executor = 'k8s'
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}
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docker {
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enabled = true
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}
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k8s {
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storageClaimName = 'eureka-pvc'
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storageMountPath = '/omic/eureka'
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}
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}
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k8s_gpu {
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process {
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executor = 'k8s'
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pod = [[nodeSelector: 'nvidia.com/gpu.present=true']]
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accelerator = [request: 1, type: 'nvidia.com/gpu']
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}
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docker {
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enabled = true
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}
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k8s {
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storageClaimName = 'eureka-pvc'
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storageMountPath = '/omic/eureka'
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container = 'harbor.cluster.omic.ai/omic/pocketminer:latest'
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}
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}
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}
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// Process configurations
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process {
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cpus = 2
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memory = '8 GB'
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}
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