Configure propka pipeline for WES/k8s execution
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- Update container reference to harbor.cluster.omic.ai/omic/propka:latest
- Add k8s profile to nextflow.config matching reference tool pattern
- Update params.json with s3://omic/eureka/propka/ paths
- Add stageInMode 'copy' to process definition
- Set params defaults to null for WES compatibility
This commit is contained in:
2026-03-24 21:03:07 +01:00
parent 1c6d9582d0
commit 8dd0ef8d6a
3 changed files with 31 additions and 30 deletions

View File

@@ -1,7 +1,7 @@
// Manifest for Nextflow metadata
manifest {
name = 'PROPKA-Nextflow'
author = 'Generated from PROPKA repository'
author = 'Olamide'
homePage = 'https://github.com/jensengroup/propka'
description = 'Nextflow pipeline for PROPKA - Empirical pKa prediction for proteins and protein-ligand complexes'
mainScript = 'main.nf'
@@ -10,16 +10,24 @@ manifest {
// Global default parameters
params {
pdb = "/mnt/OmicNAS/private/old/olamide/propka/input/1HPX.pdb"
outdir = "/mnt/OmicNAS/private/old/olamide/propka/output"
pdb = null
outdir = null
ph = 7.0
options = ""
}
// Container configurations
docker {
enabled = true
runOptions = ''
profiles {
standard {
docker {
enabled = true
runOptions = '--rm'
}
}
k8s {
process {
container = 'harbor.cluster.omic.ai/omic/propka:latest'
}
}
}
// Process configurations
@@ -27,11 +35,3 @@ process {
cpus = 1
memory = '4 GB'
}
// Execution configurations
executor {
$local {
cpus = 2
memory = '4 GB'
}
}