Mercurial > repos > chemteam > gmx_sim

diff macros.xml @ 2:5642f48f5698 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
author chemteam
date Wed, 20 Nov 2019 11:13:22 -0500
parents ec3f665cca3e
children 4dba9a5b74fc
line wrap: on
line diff
--- a/macros.xml	Wed Oct 30 13:34:07 2019 -0400
+++ b/macros.xml	Wed Nov 20 11:13:22 2019 -0500
@@ -1,5 +1,5 @@
 <macros>
-    <token name="@VERSION@">2019.1.2</token>
+    <token name="@VERSION@">2019.1.3</token>
     <xml name="requirements">
         <requirements>
             <requirement type="package" version="2019.1">gromacs</requirement>
@@ -11,19 +11,6 @@
         </citations>
     </xml>
     <xml name="md_inputs">
-        <param argument="traj" type="select" label="Trajectory output">
-            <option value='none'>Return no trajectory output</option>
-            <option value='xtc'>Return .xtc file (reduced precision)</option>
-            <option value='trr'>Return .trr file (full precision)</option>
-            <option value='both'>Return both .xtc and .trr files</option>
-        </param>
-
-        <param argument="str" type="select" label="Structure output">
-            <option value='none'>Return no structure output</option>
-            <option value='gro'>Return .gro file</option>
-            <option value='pdb'>Return .pdb file</option>
-            <option value='both'>Return both .gro and .pdb files</option>
-        </param>
 
         <conditional name="mdp">
             <param name="mdpfile" type="select" label="Parameter input">
@@ -73,6 +60,15 @@
 
     </xml>
 
+    <xml name="log">
+        <param name="capture_log" type="boolean" value="false" label="Generate detailed log" help="Generate detailed log information that can be summarized with ParseLog."/>
+    </xml>
+
+    <xml name="log_outputs">
+        <data name="report" format="txt" from_work_dir="verbose.txt">
+            <filter>capture_log</filter>
+        </data>
+    </xml>
 
     <xml name="test_params">
         <param name="mdpfile" value="default" />