From 04a580a3c0d7dd733c50765ca0d8659a04a8722f Mon Sep 17 00:00:00 2001 From: Olamide Isreal Date: Thu, 26 Mar 2026 14:20:32 +0100 Subject: [PATCH] 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. --- nextflow.config | 55 ++++++++++++++----------------------------------- 1 file changed, 15 insertions(+), 40 deletions(-) diff --git a/nextflow.config b/nextflow.config index ab3a7ab..cb33984 100644 --- a/nextflow.config +++ b/nextflow.config @@ -6,46 +6,8 @@ manifest { 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 { - 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 - } - } +docker { + enabled = true } process { @@ -53,3 +15,16 @@ process { cpus = 2 memory = '8 GB' } + +profiles { + k8s { + process { + executor = 'k8s' + } + } + k8s_gpu { + process { + executor = 'k8s' + } + } +}