changeset 10:db0138e42c19 draft

planemo upload commit be50878b7e90467860bbe85aac55ea8e3507d1e5
author tduigou
date Thu, 20 Apr 2023 08:14:22 +0000
parents 23d2987132ab
children 805988211e6c
files LICENSE.txt retropath2_wrapper.xml
diffstat 2 files changed, 3 insertions(+), 52 deletions(-) [+]
line wrap: on
line diff
--- a/LICENSE.txt	Tue Apr 18 08:49:20 2023 +0000
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,22 +0,0 @@
-MIT License
-
-Copyright (c) 2020 Jean-Loup Faulon's group & INRA
-Copyright (c) 2020 University of Evry / Paris-Saclay
-
-Permission is hereby granted, free of charge, to any person obtaining a copy
-of this software and associated documentation files (the "Software"), to deal
-in the Software without restriction, including without limitation the rights
-to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
-copies of the Software, and to permit persons to whom the Software is
-furnished to do so, subject to the following conditions:
-
-The above copyright notice and this permission notice shall be included in all
-copies or substantial portions of the Software.
-
-THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
-IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
-FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
-AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
-LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
-OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
-SOFTWARE.
--- a/retropath2_wrapper.xml	Tue Apr 18 08:49:20 2023 +0000
+++ b/retropath2_wrapper.xml	Thu Apr 20 08:14:22 2023 +0000
@@ -1,8 +1,8 @@
-<tool id="retropath2_wrapper" name="RetroPath2.0" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.09">
+<tool id="retropath2_wrapper" name="RetroPath2.0" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.09" license="MIT">
     <description>Build a reaction network from a set of source compounds to a set of sink compounds</description>
     <macros>
         <token name="@VERSION_SUFFIX@">0</token>
-        <token name="@TOOL_VERSION@">3.0.0</token>
+        <token name="@TOOL_VERSION@">3.0.1</token>
     </macros>
     <requirements>
         <requirement type="package" version="@TOOL_VERSION@">retropath2_wrapper</requirement>
@@ -74,7 +74,7 @@
             <param name="source_inchi" value="InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+" />
             <output name="Reaction_Network" file="results_retropath2.csv" ftype="csv" compare="diff"/>
         </test>
-    </tests> 
+    </tests>
     <help><![CDATA[
 Retropath2.0 wrapper
 ====================
@@ -107,33 +107,6 @@
 ------
 
 * **Reaction Network**\ : CSV file containing retrosynthesis network which provides reactions in the reaction SMILES format and chemicals in both SMILES and InChI formats along with other information like the score for each reaction.
-
-Project Links
----------------------
-
-* `GitHub <https://github.com/brsynth/RetroPath2-wrapper>`_
-
-Version
-----------
-
-2.3.1
-
-Authors
--------
-
-* **Joan Hérisson**
-* Melchior du Lac
-
-License
--------
-
-This project is licensed under the `MIT <https://github.com/brsynth/RetroPath2-wrapper/blob/master/LICENSE>`_ License.
-
-Acknowledgments
----------------
-
-* Thomas Duigou
-
     ]]></help>
     <citations>
         <citation type="doi">10.1016/j.ymben.2017.12.002 </citation>