Updating tools/mdanalysis from version 1.0.0 to 2.8.0

galaxycomputationalchemistry · Dec 2, 2024 · 32b26bb · 32b26bb
1 parent 3c6707a
commit 32b26bb
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Showing 4 changed files with 9 additions and 9 deletions.
diff --git a/tools/mdanalysis/extract_rmsd.xml b/tools/mdanalysis/extract_rmsd.xml
@@ -2,7 +2,7 @@
     <description>from MD ensemble with MDAnalysis</description>
     <macros>
         <import>macros.xml</import>
-        <token name="@GALAXY_VERSION@">2</token>
+        <token name="@GALAXY_VERSION@">0</token>
     </macros>
     <expand macro="requirements"/>
     <command detect_errors="exit_code"><![CDATA[

diff --git a/tools/mdanalysis/macros.xml b/tools/mdanalysis/macros.xml
@@ -1,5 +1,5 @@
 <macros>
-    <token name="@TOOL_VERSION@">1.0.0</token>
+    <token name="@TOOL_VERSION@">2.8.0</token>
     <xml name="requirements">
         <requirements>
             <requirement type="package" version="@TOOL_VERSION@">mdanalysis</requirement>

diff --git a/tools/mdanalysis/ramachandran_auto_protein.xml b/tools/mdanalysis/ramachandran_auto_protein.xml
@@ -5,9 +5,9 @@
         <token name="@GALAXY_VERSION@">0</token>
     </macros>
     <expand macro="requirements">
-        <requirement type="package" version="0.10.0">seaborn</requirement>
-        <requirement type="package" version="2.10.0">h5py</requirement>
-        <requirement type="package" version="2.11.1">jinja2</requirement>
+        <requirement type="package" version="0.13.2">seaborn</requirement>
+        <requirement type="package" version="3.12.1">h5py</requirement>
+        <requirement type="package" version="3.1.4">jinja2</requirement>
     </expand>
     <command detect_errors="exit_code"><![CDATA[
         python '$__tool_directory__/ramachandran_auto_protein.py'

diff --git a/tools/mdanalysis/ramachandran_plots.xml b/tools/mdanalysis/ramachandran_plots.xml
@@ -5,10 +5,10 @@
         <token name="@GALAXY_VERSION@">0</token>
     </macros>
     <expand macro="requirements">
-        <requirement type="package" version="1.5.2">scipy</requirement>
-        <requirement type="package" version="0.10.0">seaborn</requirement>
-        <requirement type="package" version="2.0.0">nbdime</requirement>
-        <requirement type="package" version="5.3.1">pyyaml</requirement>
+        <requirement type="package" version="1.14.1">scipy</requirement>
+        <requirement type="package" version="0.13.2">seaborn</requirement>
+        <requirement type="package" version="4.0.2">nbdime</requirement>
+        <requirement type="package" version="6.0.2">pyyaml</requirement>
     </expand>
     <command detect_errors="exit_code"><![CDATA[
     python '$__tool_directory__/ramachandran_plots.py'