Configure foldseek pipeline for WES execution

- Update container image to harbor.cluster.omic.ai/omic/foldseek:latest
- Update default paths to /omic/eureka/foldseek/ PVC mount paths
- Add k8s profile with eureka-pvc storage
- Remove stageInMode copy and containerOptions for k8s compatibility
- Update params.json defaults to s3://omic/eureka/foldseek/ paths
This commit is contained in:
2026-03-30 20:54:07 +01:00
parent ec54fa1c22
commit bf04f8971e
3 changed files with 197 additions and 31 deletions

22
main.nf
View File

@@ -2,9 +2,9 @@
nextflow.enable.dsl=2
params.query = '/mnt/OmicNAS/private/old/olamide/foldseek/input/1CRN.pdb'
params.target = '/mnt/OmicNAS/private/old/olamide/foldseek/input/'
params.outdir = '/mnt/OmicNAS/private/old/olamide/foldseek/output/'
params.query = '/omic/eureka/foldseek/input/1CRN.pdb'
params.target = '/omic/eureka/foldseek/input/'
params.outdir = '/omic/eureka/foldseek/output'
params.mode = 'search'
params.sensitivity = 9.5
params.evalue = 0.001
@@ -14,10 +14,8 @@ params.coverage = 0.0
params.format_output = 'query,target,fident,alnlen,mismatch,gapopen,qstart,qend,tstart,tend,evalue,bits'
process FOLDSEEK_SEARCH {
container 'foldseek:latest'
containerOptions '-v /mnt:/mnt'
container 'harbor.cluster.omic.ai/omic/foldseek:latest'
publishDir params.outdir, mode: 'copy'
stageInMode 'copy'
input:
path query
@@ -47,10 +45,8 @@ process FOLDSEEK_SEARCH {
}
process FOLDSEEK_CLUSTER {
container 'foldseek:latest'
containerOptions '-v /mnt:/mnt'
container 'harbor.cluster.omic.ai/omic/foldseek:latest'
publishDir params.outdir, mode: 'copy'
stageInMode 'copy'
input:
path structures
@@ -77,10 +73,8 @@ process FOLDSEEK_CLUSTER {
"""
}
process FOLDSEEK_MULTIMER_SEARCH {
container 'foldseek:latest'
containerOptions '-v /mnt:/mnt'
container 'harbor.cluster.omic.ai/omic/foldseek:latest'
publishDir params.outdir, mode: 'copy'
stageInMode 'copy'
input:
path query
@@ -107,10 +101,8 @@ process FOLDSEEK_MULTIMER_SEARCH {
}
process FOLDSEEK_CREATEDB {
container 'foldseek:latest'
containerOptions '-v /mnt:/mnt'
container 'harbor.cluster.omic.ai/omic/foldseek:latest'
publishDir params.outdir, mode: 'copy'
stageInMode 'copy'
input:
path structures