Adds process_gpu label

Author: jscgh

CHANGELOG.md

@@ -40,6 +40,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 - [[PR #306](https://github.com/nf-core/proteinfold/pull/306)] - extract_output.py -> extract_metrics.py so pLDDT, MSA, PAE emitted as raw data .tsv files
 - [[PR #307](https://github.com/nf-core/proteinfold/pull/307)] - Update Boltz-1 boilerplate and formatting.
 - [[PR #314](https://github.com/nf-core/proteinfold/pull/314)] - Fix extract metrics for broken modules.
+- [[PR #316](https://github.com/nf-core/proteinfold/pull/316)] - Add process_gpu label to modules which use GPU.
 
 ### Parameters
 

conf/base.config

@@ -52,6 +52,9 @@ process {
     withLabel:process_high_memory {
         memory = { 200.GB * task.attempt }
     }
+    withLabled:process_gpu {
+        accelerator = 1
+    }
     withLabel:error_ignore {
         errorStrategy = 'ignore'
     }

modules/local/colabfold_batch/main.nf

@@ -1,6 +1,7 @@
 process COLABFOLD_BATCH {
     tag "$meta.id"
     label 'process_medium'
+    label 'process_gpu'
 
     container "nf-core/proteinfold_colabfold:dev"
 

modules/local/run_alphafold2/main.nf

@@ -4,6 +4,7 @@
 process RUN_ALPHAFOLD2 {
     tag "$meta.id"
     label 'process_medium'
+    label 'process_gpu'
 
     container "nf-core/proteinfold_alphafold2_standard:dev"
 

modules/local/run_alphafold2_pred/main.nf

@@ -4,6 +4,7 @@
 process RUN_ALPHAFOLD2_PRED {
     tag   "$meta.id"
     label 'process_medium'
+    label 'process_gpu'
 
     container "nf-core/proteinfold_alphafold2_pred:dev"
 

modules/local/run_esmfold/main.nf

@@ -1,6 +1,7 @@
 process RUN_ESMFOLD {
     tag "$meta.id"
     label 'process_medium'
+    label 'process_gpu'
 
     container "nf-core/proteinfold_esmfold:dev"
 

modules/local/run_helixfold3/main.nf

@@ -4,6 +4,7 @@
 process RUN_HELIXFOLD3 {
     tag "$meta.id"
     label 'process_medium'
+    label 'process_gpu'
 
     container "nf-core/proteinfold_helixfold3:dev"
 

modules/local/run_rosettafold_all_atom/main.nf

@@ -4,6 +4,7 @@
 process RUN_ROSETTAFOLD_ALL_ATOM {
     tag "$meta.id"
     label 'process_medium'
+    label 'process_gpu'
 
     container "nf-core/proteinfold_rosettafold_all_atom:dev"