Merge pull request #494 from RECETOX/fix_qcxms_prod

Update qcxms_prod_run.xml
RECETOX · Feb 27, 2024 · b33d814 · b33d814
2 parents 6d6720e + 1c86967
commit b33d814
Showing 1 changed file with 3 additions and 3 deletions.
diff --git a/tools/qcxms/qcxms_prod_run.xml b/tools/qcxms/qcxms_prod_run.xml
@@ -1,4 +1,4 @@
-<tool id="qcxms_production_run" name="QCxMS production run" version="@TOOL_VERSION@+galaxy0" profile="21.05">
+<tool id="qcxms_production_run" name="QCxMS production run" version="@TOOL_VERSION@+galaxy1" profile="21.05">
     <description>Production run to obtain a QCxMS simulated mass spectrum</description>
 
     <macros>
@@ -10,7 +10,7 @@
 
     <command detect_errors="exit_code"><![CDATA[
         python3 '${create_folder_structure}' &&
-        find TMPQCXMS/*/ -type d | xargs -I {} -P ${GALAXY_SLOTS} sh -c 'cd {} && /qcxms_bin/qcxms --prod >> $log' &&
+        find TMPQCXMS/*/ -type d | xargs -I {} -P \${GALAXY_SLOTS:-1} sh -c 'cd {} && /qcxms_bin/qcxms --prod >> $log' &&
         /qcxms_bin/getres &&
         /plotms_bin/PlotMS.v.6.2.0/plotms &&
         sh ${__tool_directory__}/msp_out.sh
@@ -84,4 +84,4 @@ for folder_name, in_file, start_file, xyz_file in zip(folder_names, in_collectio
         <citation type="doi">10.1255/ejms.1313</citation>
         <citation type="doi">10.1021/acs.jpca.6b02907</citation>
     </citations>
-</tool>
+</tool>