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Add error to modules that can not use conda
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JoseEspinosa committed Mar 22, 2024
1 parent 1bdff57 commit 030dd34
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Showing 8 changed files with 31 additions and 0 deletions.
5 changes: 5 additions & 0 deletions modules/local/colabfold_batch.nf
Original file line number Diff line number Diff line change
Expand Up @@ -2,6 +2,11 @@ process COLABFOLD_BATCH {
tag "$meta.id"
label 'process_medium'

// Exit if running this module with -profile conda / -profile mamba
if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) {
error("Local COLABFOLD_BATCH module does not support Conda. Please use Docker / Singularity / Podman instead.")
}

container "nf-core/proteinfold_colabfold:1.1.0"

input:
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5 changes: 5 additions & 0 deletions modules/local/mmseqs_colabfoldsearch.nf
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Expand Up @@ -2,6 +2,11 @@ process MMSEQS_COLABFOLDSEARCH {
tag "$meta.id"
label 'process_high_memory'

// Exit if running this module with -profile conda / -profile mamba
if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) {
error("Local MMSEQS_COLABFOLDSEARCH module does not support Conda. Please use Docker / Singularity / Podman instead.")
}

container "nf-core/proteinfold_colabfold:1.1.0"

input:
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1 change: 1 addition & 0 deletions modules/local/multifasta_to_csv.nf
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Expand Up @@ -2,6 +2,7 @@ process MULTIFASTA_TO_CSV {
tag "$meta.id"
label 'process_single'

conda "conda-forge::sed=4.7"
container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
'https://depot.galaxyproject.org/singularity/ubuntu:20.04' :
'nf-core/ubuntu:20.04' }"
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1 change: 1 addition & 0 deletions modules/local/multifasta_to_singlefasta.nf
Original file line number Diff line number Diff line change
Expand Up @@ -2,6 +2,7 @@ process MULTIFASTA_TO_SINGLEFASTA {
tag "$meta.id"
label 'process_single'

conda "conda-forge::sed=4.7"
container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
'https://depot.galaxyproject.org/singularity/ubuntu:20.04' :
'nf-core/ubuntu:20.04' }"
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5 changes: 5 additions & 0 deletions modules/local/run_alphafold2.nf
Original file line number Diff line number Diff line change
Expand Up @@ -5,6 +5,11 @@ process RUN_ALPHAFOLD2 {
tag "$meta.id"
label 'process_medium'

// Exit if running this module with -profile conda / -profile mamba
if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) {
error("Local RUN_ALPHAFOLD2 module does not support Conda. Please use Docker / Singularity / Podman instead.")
}

container "nf-core/proteinfold_alphafold2_standard:dev"

input:
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5 changes: 5 additions & 0 deletions modules/local/run_alphafold2_msa.nf
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Expand Up @@ -5,6 +5,11 @@ process RUN_ALPHAFOLD2_MSA {
tag "$meta.id"
label 'process_medium'

// Exit if running this module with -profile conda / -profile mamba
if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) {
error("Local RUN_ALPHAFOLD2_MSA module does not support Conda. Please use Docker / Singularity / Podman instead.")
}

container "nf-core/proteinfold_alphafold2_msa:dev"

input:
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5 changes: 5 additions & 0 deletions modules/local/run_alphafold2_pred.nf
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Expand Up @@ -5,6 +5,11 @@ process RUN_ALPHAFOLD2_PRED {
tag "$meta.id"
label 'process_medium'

// Exit if running this module with -profile conda / -profile mamba
if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) {
error("Local RUN_ALPHAFOLD2_PRED module does not support Conda. Please use Docker / Singularity / Podman instead.")
}

container "nf-core/proteinfold_alphafold2_split:dev"

input:
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4 changes: 4 additions & 0 deletions modules/local/run_esmfold.nf
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Expand Up @@ -2,6 +2,10 @@ process RUN_ESMFOLD {
tag "$meta.id"
label 'process_medium'

if (workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1) {
error("Local RUN_ESMFOLD module does not support Conda. Please use Docker / Singularity / Podman instead.")
}

container "nf-core/proteinfold_esmfold:1.1.0"

input:
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