Simplify nextflow.config for WES compatibility

Remove params block (defined in main.nf) and minimize profiles
to avoid StackOverflowError when WES injects profile.config via -C flag.
This commit is contained in:
2026-03-26 14:20:32 +01:00
parent f776745722
commit 04a580a3c0

View File

@@ -6,46 +6,8 @@ manifest {
version = '1.0.0' version = '1.0.0'
} }
params {
protein1_fasta = '/omic/eureka/bioemu/input/trp_cage.fasta'
protein2_fasta = '/omic/eureka/bioemu/input/villin_headpiece.fasta'
complex_name = 'protein_complex'
exp_dG = -10.0
outdir = '/omic/eureka/bioemu/output'
cache_dir = '/tmp/bioemu_cache'
num_samples = 10
batch_size = 5
temperature = 300
n_clusters = 5
}
profiles {
standard {
docker { docker {
enabled = true enabled = true
runOptions = '--gpus all'
}
}
k8s {
process {
executor = 'k8s'
}
docker {
enabled = true
}
}
k8s_gpu {
process {
executor = 'k8s'
pod = [[nodeSelector: 'nvidia.com/gpu.present=true']]
accelerator = [request: 1, type: 'nvidia.com/gpu']
}
docker {
enabled = true
}
}
} }
process { process {
@@ -53,3 +15,16 @@ process {
cpus = 2 cpus = 2
memory = '8 GB' memory = '8 GB'
} }
profiles {
k8s {
process {
executor = 'k8s'
}
}
k8s_gpu {
process {
executor = 'k8s'
}
}
}