Updating tools/buildtools/ambertools from version 21.10 to 23.6

galaxycomputationalchemistry · Nov 4, 2024 · 4d028f9 · 4d028f9
1 parent 3c6707a
commit 4d028f9
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Showing 5 changed files with 7 additions and 7 deletions.
diff --git a/tools/buildtools/ambertools/acpype.xml b/tools/buildtools/ambertools/acpype.xml
@@ -5,7 +5,7 @@
         <token name="@GALAXY_VERSION@">0</token>
     </macros>
     <expand macro="requirements">
-        <requirement type="package" version="2021.02.05.22.15">acpype</requirement>
+        <requirement type="package" version="2023.10.27">acpype</requirement>
     </expand>
     <command detect_errors="exit_code"><![CDATA[
         ln -s '$input1' ./input1.${input1.ext} &&

diff --git a/tools/buildtools/ambertools/acpype_Amber2Gromacs.xml b/tools/buildtools/ambertools/acpype_Amber2Gromacs.xml
@@ -5,7 +5,7 @@
         <token name="@GALAXY_VERSION@">0</token>
     </macros>
     <expand macro="requirements">
-        <requirement type="package" version="2021.02.05.22.15">acpype</requirement>
+        <requirement type="package" version="2023.10.27">acpype</requirement>
     </expand>
     <command detect_errors="exit_code"><![CDATA[
         ln -s '$input1' ./input1.${input1.ext} &&

diff --git a/tools/buildtools/ambertools/macros.xml b/tools/buildtools/ambertools/macros.xml
@@ -1,5 +1,5 @@
 <macros>
-	<token name="@TOOL_VERSION@">21.10</token>
+	<token name="@TOOL_VERSION@">23.6</token>
 	<xml name="requirements">
 		<requirements>
 			<requirement type="package" version="@TOOL_VERSION@">ambertools</requirement>

diff --git a/tools/buildtools/ambertools/mmpbsa_mmgbsa.xml b/tools/buildtools/ambertools/mmpbsa_mmgbsa.xml
@@ -5,7 +5,7 @@
         <token name="@GALAXY_VERSION@">0</token>
     </macros>
     <expand macro="requirements">
-        <requirement type="package" version="3.0.1">jinja2</requirement>
+        <requirement type="package" version="3.1.4">jinja2</requirement>
     </expand>
     <command detect_errors="exit_code"><![CDATA[
         python '$mmpbsa_script' '$inputs' &&

diff --git a/tools/buildtools/ambertools/parmconv.xml b/tools/buildtools/ambertools/parmconv.xml
@@ -5,9 +5,9 @@
     <token name="@GALAXY_VERSION@">0</token>
   </macros>
   <expand macro="requirements">
-    <requirement type="package" version="3.4.3">parmed</requirement>
-    <requirement type="package" version="2021.3">gromacs</requirement>
-    <requirement type="package" version="3.0.1">jinja2</requirement>
+    <requirement type="package" version="4.3.0">parmed</requirement>
+    <requirement type="package" version="2024.3">gromacs</requirement>
+    <requirement type="package" version="3.1.4">jinja2</requirement>
   </expand>
   <command detect_errors="exit_code">
     <![CDATA[