Updating tools/gromacs from version 2022 to 2024.4

galaxycomputationalchemistry · Nov 11, 2024 · b4a8db5 · b4a8db5
1 parent 3c6707a
commit b4a8db5
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Showing 4 changed files with 4 additions and 4 deletions.
diff --git a/tools/gromacs/energy.xml b/tools/gromacs/energy.xml
@@ -1,7 +1,7 @@
 <tool id="gmx_energy" name="Extract energy components with GROMACS" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
     <macros>
         <import>macros.xml</import>
-        <token name="@GALAXY_VERSION@">1</token>
+        <token name="@GALAXY_VERSION@">0</token>
     </macros>
 
     <expand macro="requirements" />

diff --git a/tools/gromacs/macros.xml b/tools/gromacs/macros.xml
@@ -1,5 +1,5 @@
 <macros>
-    <token name="@TOOL_VERSION@">2022</token>
+    <token name="@TOOL_VERSION@">2024.4</token>
     <xml name="requirements">
         <requirements>
             <requirement type="package" version="@TOOL_VERSION@">gromacs</requirement>

diff --git a/tools/gromacs/merge_top.xml b/tools/gromacs/merge_top.xml
@@ -1,7 +1,7 @@
 <tool id="gmx_merge_topology_files" name="Merge GROMACS topologies" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
     <description>and GRO files</description>
     <macros>
-        <token name="@TOOL_VERSION@">3.4.3</token>
+        <token name="@TOOL_VERSION@">4.3.0</token>
         <token name="@GALAXY_VERSION@">0</token>
     </macros>
     <requirements>

diff --git a/tools/gromacs/trj.xml b/tools/gromacs/trj.xml
@@ -2,7 +2,7 @@
     <description>using trjconv and trjcat</description>
     <macros>
         <import>macros.xml</import>
-        <token name="@GALAXY_VERSION@">2</token>
+        <token name="@GALAXY_VERSION@">0</token>
         <xml name="fit_when" token_option="none">
             <when value="@OPTION@">
                 <param name="index_fit" type="text" label="Index of group to use for fitting" help="Index of group to use for fitting - i.e. the group's position in the ndx file (using zero-based numbering, so the first group has index 0).">