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changeset 12:00aa43a565d1

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"planemo upload"
author rliterman
date Tue, 03 Dec 2024 10:06:35 -0500
parents e222ab521d70
children c3a0820082d1
files CSP2/conf/profiles.config CSP2/subworkflows/fetchData/main.nf csp2_screen.xml csp_screen.xml
diffstat 4 files changed, 135 insertions(+), 134 deletions(-) [+]
line wrap: on
line diff
--- a/CSP2/conf/profiles.config	Tue Dec 03 08:48:19 2024 -0500
+++ b/CSP2/conf/profiles.config	Tue Dec 03 10:06:35 2024 -0500
@@ -84,8 +84,8 @@
         conda.useMicromamba = true
         conda.cacheDir = "${projectDir}/CSP2_env"
         process.conda = "${projectDir}/conf/CSP2.yaml"
-	process.queue = "ondemand-small"
         
+        process.clusterOptions = {"-p ondemand-small"}
 
         executor.$slurm.exitReadTimeout = 120000
 
--- a/CSP2/subworkflows/fetchData/main.nf	Tue Dec 03 08:48:19 2024 -0500
+++ b/CSP2/subworkflows/fetchData/main.nf	Tue Dec 03 10:06:35 2024 -0500
@@ -19,7 +19,7 @@
 findReads = file("${projectDir}/bin/fetchReads.py")
 userSNPDiffs = file("${projectDir}/bin/userSNPDiffs.py")
 
-// Set SKESA cores to 5 or fewer
+// Set SKESA cores to 4 or fewer
 skesa_cpus = (params.cores as Integer) >= 4 ? 4 : (params.cores as Integer)
 
 workflow {
--- a/csp2_screen.xml	Tue Dec 03 08:48:19 2024 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,132 +0,0 @@
-<tool id="csp2-screen" name="CSP2 (Screening Mode)" version="0.9.7">
-		<description>Screen query assemblies against reference assemblies</description>
-		<requirements>
-				<requirement type="package" version="24.10.1">nextflow</requirement>
-				<requirement type="package" version="1.5.8">micromamba</requirement>
-		</requirements>
-		<version_command>nextflow -version</version_command>
-		<command detect_errors="aggressive"><![CDATA[
-        export CSP2_DIR=\$PWD;
-        mkdir -p \$CSP2_DIR/queries \$CSP2_DIR/references;
-
-        if [ -n "$query_fasta" ] && [ "$query_fasta" != "None" ]; then
-                #for query in $query_fasta:
-                        ln -sf ${query} \$CSP2_DIR/queries/${query.element_identifier};
-                #end for
-                export QUERY_FASTA_ARG="--fasta \$CSP2_DIR/queries";
-        else
-                export QUERY_FASTA_ARG="";
-        fi;
-
-        if [ -n "$query_reads" ] && [ "$query_reads" != "None" ]; then
-                #for query in $query_reads:
-                        ln -sf ${query} \$CSP2_DIR/queries/${query.element_identifier};
-                #end for
-                export QUERY_READS_ARG="--reads \$CSP2_DIR/queries";
-        else
-                export QUERY_READS_ARG="";
-        fi;
-
-        if [ -n "$ref_fasta" ] && [ "$ref_fasta" != "None" ]; then
-                #for ref in $ref_fasta:
-                        ln -sf ${ref} \$CSP2_DIR/references/${ref.element_identifier};
-                #end for
-                export REF_FASTA_ARG="--ref_fasta \$CSP2_DIR/references";
-        else
-                export REF_FASTA_ARG="";
-        fi;
-
-        if [ -n "$ref_reads" ] && [ "$ref_reads" != "None" ]; then
-                #for ref in $ref_reads:
-                        ln -sf ${ref} \$CSP2_DIR/references/${ref.element_identifier};
-                #end for
-                export REF_READS_ARG="--ref_reads \$CSP2_DIR/references";
-        else
-                export REF_READS_ARG="";
-        fi;
-
-        if [ -n "$trim_name" ] && [ "$trim_name" != "None" ]; then
-                export TRIM_ARG="--trim_name $trim_name";
-        else
-                export TRIM_ARG="";
-        fi;
-
-        if [ -n "$ref_id" ] && [ "$ref_id" != "None" ]; then
-                export REF_ID_ARG="--ref_id $ref_id";
-        else
-                export REF_ID_ARG="";
-        fi;
-
-			nextflow run ${__tool_directory__}/CSP2/CSP2.nf -profile csp2_galaxy --runmode screen \$QUERY_FASTA_ARG \$REF_FASTA_ARG \$QUERY_READS_ARG \$REF_READS_ARG \$REF_ID_ARG \$TRIM_ARG --readext $readext --forward $forward --reverse $reverse --ref_readext $readext --ref_forward $forward --ref_reverse $reverse --min_cov $min_cov --min_iden $min_iden --min_len $min_len --ref_edge $ref_edge --query_edge $query_edge --dwin $dwin --wsnps $wsnps --cores 8 --out \$CSP2_DIR/CSP2_Screen_Output > Nextflow_Log.txt 2>&1;
-        ]]>
-		</command>
-		<inputs>
-				<param name="query_fasta" type="data" format="fasta" value="" label="Query assemblies" multiple="true" optional="true" />
-				<param name="ref_fasta" type="data" format="fasta" value="" label="Reference assemblies" multiple="true" optional="true" />
-				<param name="query_reads" type="data" format="fastq,fastq.gz" value="" label="Query reads" multiple="true" optional="true" />
-				<param name="ref_reads" type="data" format="fastq,fastq.gz" value="" label="Reference reads" multiple="true" optional="true" />
-				<param name="min_cov" type="float" value="85" label="Minimum reference genome coverage to proceed with distance estimation" optional="true" />
-				<param name="min_iden" type="float" value="99" label="Minimum alignment percent identity to detect SNPs" optional="true" />
-				<param name="min_len" type="integer" value="500" label="Minimum alignment length to detect SNPs" optional="true" />
-				<param name="ref_edge" type="integer" value="150" label="Prune SNPs within this many bases of reference contig edge" optional="true" />
-				<param name="query_edge" type="integer" value="150" label="Prune SNPs within this many bases of query contig edge" optional="true" />
-				<param name="dwin" type="text" value="1000,125,15" label="Comma-separated set of window sizes for SNP density filtration (Set to 0 to disable density filtration)" optional="true" />
-				<param name="wsnps" type="text" value="3,2,1" label="Comma-separated list of maximum SNP counts per density window" optional="true" />
-				<param name="readext" type="text" value="fastq.gz" label="Read extension format (e.g., fastq.gz)" optional="true" />
-				<param name="forward" type="text" value="_1.fastq.gz" label="Forward read suffix (e.g. _1.fastq.gz)" optional="true" />
-				<param name="reverse" type="text" value="_2.fastq.gz" label="Forward read suffix (e.g. _2.fastq.gz)" optional="true" />
-				<param name="trim_name" type="text" value="" label="Text to remove from all file names (e.g., _contigs_skesa)" optional="true" />
-				<param name="ref_id" type="text" value="" label="Comma-separated list of desired Reference IDs (e.g., Sample_A,Sample_B)" optional="true" />
-		</inputs>
-		<outputs>
-				<data name="screening_results" format="tabular" label="Screening Results" from_work_dir="CSP2_Screen_Output/Screening_Results.tsv" />
-				<data name="isolate_data" format="tabular" label="Isolate Data" from_work_dir="CSP2_Screen_Output/Isolate_Data.tsv" />
-				<data name="nextflow_log" format="txt" label="Nextflow Log" from_work_dir="Nextflow_Log.txt" />
-		</outputs>
-		<tests>
-			<test>
-				<param name="query_fasta">
-					<collection type="list">
-						<element name="Sample_A" value="assemblies/Sample_A.fasta" />
-						<element name="Sample_B" value="assemblies/Sample_B.fasta" />
-						<element name="Sample_C" value="assemblies/Sample_C.fasta" />
-						<element name="Sample_D" value="assemblies/Sample_D.fasta" />
-						<element name="Sample_E" value="assemblies/Sample_E.fasta" />
-						<element name="Sample_F" value="assemblies/Sample_F.fasta" />
-						<element name="Sample_G" value="assemblies/Sample_G.fasta" />
-						<element name="Sample_H" value="assemblies/Sample_H.fasta" />
-						<element name="Sample_I" value="assemblies/Sample_I.fasta" />
-						<element name="Sample_J" value="assemblies/Sample_J.fasta" />
-						<element name="Sample_K" value="assemblies/Sample_K.fasta" />
-						<element name="Sample_L" value="assemblies/Sample_L.fasta" />
-						<element name="Sample_M" value="assemblies/Sample_M.fasta" />
-						<element name="Sample_N" value="assemblies/Sample_N.fasta" />
-						<element name="Sample_O" value="assemblies/Sample_O.fasta" />
-					</collection>
-				</param>
-				<param name="query_reads">
-					<collection type="list">
-						<element name="Forward" value="reads/Week_42_Reads_1.fq.gz" />
-						<element name="Reverse" value="reads/Week_42_Reads_2.fq.gz" />
-					</collection>
-				</param>
-
-				<param name="ref_id" value="Sample_A,Sample_B" />
-				<param name="readext" value="fq.gz" />
-				<param name="forward" value="_1.fq.gz" />
-				<param name="reverse" value="_2.fq.gz" />
-
-				<output name="screening_results" value="Screening_Results.tsv" />
-				<output name="isolate_data" value="Isolate_Data.tsv" />
-			</test>
-		</tests>
-		<help>
-			This tool takes query assemblies and reference assemblies and calculates the pairwise distance between each query/reference combination. If no reference is provided, all queries are compared to all other queries.
-		</help>
-		<citations>
-				<citation type="doi">10.XXXX/placeholder.doi</citation>
-				<citation type="bibtex">@article{example2024,title={CFSAN SNP Pipeline 2 (CSP2): a pipeline for fast and accurate SNP distance estimation from bacterial genome assemblies.},author={Doe, John and Smith, Jane},journal={Submitted},year={2024}}
-				</citation>
-		</citations>
-</tool>
-
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/csp_screen.xml	Tue Dec 03 10:06:35 2024 -0500
@@ -0,0 +1,133 @@
+<tool id="csp2-screen" name="CSP2 (Screening Mode)" version="0.9.7_Dev21">
+	<description>Screen query assemblies against reference assemblies</description>
+	<requirements>
+		<requirement type="package" version="24.10.1">nextflow</requirement>
+		<requirement type="package" version="1.5.8">micromamba</requirement>
+	</requirements>
+	<version_command>nextflow -version</version_command>
+	<command detect_errors="aggressive"><![CDATA[
+export CSP2_DIR=\$PWD;
+mkdir -p \$CSP2_DIR/queries \$CSP2_DIR/references;
+
+if [ -n "$query_fasta" ] && [ "$query_fasta" != "None" ]; then
+		#for query in $query_fasta:
+				ln -sf ${query} \$CSP2_DIR/queries/${query.element_identifier};
+		#end for
+		export QUERY_FASTA_ARG="--fasta \$CSP2_DIR/queries";
+else
+		export QUERY_FASTA_ARG="";
+fi;
+
+if [ -n "$query_reads" ] && [ "$query_reads" != "None" ]; then
+		#for query in $query_reads:
+				ln -sf ${query} \$CSP2_DIR/queries/${query.element_identifier};
+		#end for
+		export QUERY_READS_ARG="--reads \$CSP2_DIR/queries";
+else
+		export QUERY_READS_ARG="";
+fi;
+
+if [ -n "$ref_fasta" ] && [ "$ref_fasta" != "None" ]; then
+		#for ref in $ref_fasta:
+				ln -sf ${ref} \$CSP2_DIR/references/${ref.element_identifier};
+		#end for
+		export REF_FASTA_ARG="--ref_fasta \$CSP2_DIR/references";
+else
+		export REF_FASTA_ARG="";
+fi;
+
+if [ -n "$ref_reads" ] && [ "$ref_reads" != "None" ]; then
+		#for ref in $ref_reads:
+				ln -sf ${ref} \$CSP2_DIR/references/${ref.element_identifier};
+		#end for
+		export REF_READS_ARG="--ref_reads \$CSP2_DIR/references";
+else
+		export REF_READS_ARG="";
+fi;
+
+if [ -n "$trim_name" ] && [ "$trim_name" != "None" ]; then
+		export TRIM_ARG="--trim_name $trim_name";
+else
+		export TRIM_ARG="";
+fi;
+
+if [ -n "$ref_id" ] && [ "$ref_id" != "None" ]; then
+		export REF_ID_ARG="--ref_id $ref_id";
+else
+		export REF_ID_ARG="";
+fi;
+
+nextflow run ${__tool_directory__}/CSP2/CSP2.nf -profile csp2_galaxy --runmode screen \$QUERY_FASTA_ARG \$REF_FASTA_ARG \$QUERY_READS_ARG \$REF_READS_ARG \$REF_ID_ARG \$TRIM_ARG --readext $readext --forward $forward --reverse $reverse --ref_readext $readext --ref_forward $forward --ref_reverse $reverse --min_cov $min_cov --min_iden $min_iden --min_len $min_len --ref_edge $ref_edge --query_edge $query_edge --dwin $dwin --wsnps $wsnps --cores 8 --out \$CSP2_DIR/CSP2_Screen_Output > Nextflow_Log.txt 2>&1;
+	]]>
+	</command>
+	<inputs>
+		<param name="query_fasta" type="data" format="fasta" value="" label="Query assemblies" multiple="true" optional="true" />
+		<param name="ref_fasta" type="data" format="fasta" value="" label="Reference assemblies" multiple="true" optional="true" />
+		<param name="query_reads" type="data" format="fastq,fastq.gz" value="" label="Query reads" multiple="true" optional="true" />
+		<param name="ref_reads" type="data" format="fastq,fastq.gz" value="" label="Reference reads" multiple="true" optional="true" />
+		<param name="min_cov" type="float" value="85" label="Minimum reference genome coverage to proceed with distance estimation" optional="true" />
+		<param name="min_iden" type="float" value="99" label="Minimum alignment percent identity to detect SNPs" optional="true" />
+		<param name="min_len" type="integer" value="500" label="Minimum alignment length to detect SNPs" optional="true" />
+		<param name="ref_edge" type="integer" value="150" label="Prune SNPs within this many bases of reference contig edge" optional="true" />
+		<param name="query_edge" type="integer" value="150" label="Prune SNPs within this many bases of query contig edge" optional="true" />
+		<param name="dwin" type="text" value="1000,125,15" label="Comma-separated set of window sizes for SNP density filtration (Set to 0 to disable density filtration)" optional="true" />
+		<param name="wsnps" type="text" value="3,2,1" label="Comma-separated list of maximum SNP counts per density window" optional="true" />
+		<param name="readext" type="text" value="fastq.gz" label="Read extension format (e.g., fastq.gz)" optional="true" />
+		<param name="forward" type="text" value="_1.fastq.gz" label="Forward read suffix (e.g. _1.fastq.gz)" optional="true" />
+		<param name="reverse" type="text" value="_2.fastq.gz" label="Forward read suffix (e.g. _2.fastq.gz)" optional="true" />
+		<param name="trim_name" type="text" value="" label="Text to remove from all file names (e.g., _contigs_skesa)" optional="true" />
+		<param name="ref_id" type="text" value="" label="Comma-separated list of desired Reference IDs (e.g., Sample_A,Sample_B)" optional="true" />
+	</inputs>
+	<outputs>
+		<data name="screening_results" format="tabular" label="Screening Results" from_work_dir="CSP2_Screen_Output/Screening_Results.tsv" />
+		<data name="isolate_data" format="tabular" label="Isolate Data" from_work_dir="CSP2_Screen_Output/Isolate_Data.tsv" />
+		<data name="nextflow_log" format="txt" label="Nextflow Log" from_work_dir="Nextflow_Log.txt" />
+		<data name="CSP2_Params" format="txt" label="Passed params" from_work_dir="CSP2_Screen_Output/Logs/CSP2_Params.txt" />
+	</outputs>
+	<tests>
+		<test>
+			<param name="query_fasta">
+					<collection type="list">
+							<element name="Sample_A" value="assemblies/Sample_A.fasta" />
+							<element name="Sample_B" value="assemblies/Sample_B.fasta" />
+							<element name="Sample_C" value="assemblies/Sample_C.fasta" />
+							<element name="Sample_D" value="assemblies/Sample_D.fasta" />
+							<element name="Sample_E" value="assemblies/Sample_E.fasta" />
+							<element name="Sample_F" value="assemblies/Sample_F.fasta" />
+							<element name="Sample_G" value="assemblies/Sample_G.fasta" />
+							<element name="Sample_H" value="assemblies/Sample_H.fasta" />
+							<element name="Sample_I" value="assemblies/Sample_I.fasta" />
+							<element name="Sample_J" value="assemblies/Sample_J.fasta" />
+							<element name="Sample_K" value="assemblies/Sample_K.fasta" />
+							<element name="Sample_L" value="assemblies/Sample_L.fasta" />
+							<element name="Sample_M" value="assemblies/Sample_M.fasta" />
+							<element name="Sample_N" value="assemblies/Sample_N.fasta" />
+							<element name="Sample_O" value="assemblies/Sample_O.fasta" />
+					</collection>
+			</param>
+			<param name="query_reads">
+					<collection type="list">
+							<element name="Forward" value="reads/Week_42_Reads_1.fq.gz" />
+							<element name="Reverse" value="reads/Week_42_Reads_2.fq.gz" />
+					</collection>
+			</param>
+
+			<param name="ref_id" value="Sample_A,Sample_B" />
+			<param name="readext" value="fq.gz" />
+			<param name="forward" value="_1.fq.gz" />
+			<param name="reverse" value="_2.fq.gz" />
+
+			<output name="screening_results" value="Screening_Results.tsv" />
+			<output name="isolate_data" value="Isolate_Data.tsv" />
+		</test>
+	</tests>
+	<help>
+	This tool takes query assemblies and reference assemblies and calculates the pairwise distance between each query/reference combination. If no reference is provided, all queries are compared to all other queries.
+	</help>
+	<citations>
+		<citation type="doi">10.XXXX/placeholder.doi</citation>
+		<citation type="bibtex">@article{example2024,title={CFSAN SNP Pipeline 2 (CSP2): a pipeline for fast and accurate SNP distance estimation from bacterial genome assemblies.},author={Doe, John and Smith, Jane},journal={Submitted},year={2024}}
+		</citation>
+	</citations>
+</tool>
+