| Previous changeset 4:791c86130585 (2020-04-15) Next changeset 6:b8725fec8c7b (2021-04-14) |
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Commit message:
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/sucos commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0" |
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modified:
sucos_cluster.xml sucos_macros.xml |
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| diff -r 791c86130585 -r 12725d4b90f3 sucos_cluster.xml --- a/sucos_cluster.xml Wed Apr 15 09:26:30 2020 -0400 +++ b/sucos_cluster.xml Tue Jul 28 08:48:16 2020 -0400 |
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| @@ -1,7 +1,8 @@ -<tool id="sucos_clustering" name="Cluster ligands using SuCOS" version="0.1.1"> +<tool id="sucos_clustering" name="Cluster ligands using SuCOS" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@"> <description>based on the overlap of 3D features</description> <macros> <import>sucos_macros.xml</import> + <token name="@GALAXY_VERSION@">0</token> </macros> <expand macro="requirements"> <requirement type="package" version="1.3.0">scipy</requirement> @@ -23,7 +24,7 @@ <tests> <test> <param name="input" ftype="sdf" value="sucos_cluster.sdf"/> - <output_collection name="clusters" type="list" count="6"> + <output_collection name="clusters" type="list" count="8"> <element name="cluster1" ftype="sdf" file="cluster1.sdf" compare="sim_size" /> <element name="cluster2" ftype="sdf" file="cluster2.sdf" compare="sim_size" /> <element name="cluster3" ftype="sdf" file="cluster3.sdf" compare="sim_size" /> |
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| diff -r 791c86130585 -r 12725d4b90f3 sucos_macros.xml --- a/sucos_macros.xml Wed Apr 15 09:26:30 2020 -0400 +++ b/sucos_macros.xml Tue Jul 28 08:48:16 2020 -0400 |
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| @@ -1,4 +1,5 @@ <macros> + <token name="@TOOL_VERSION@">2020.03.4</token> <xml name="citations"> <citations> <citation type="doi">10.26434/chemrxiv.8100203.v1</citation> @@ -12,7 +13,7 @@ </xml> <xml name="requirements"> <requirements> - <requirement type="package" version="2019.03.2.0">rdkit</requirement> + <requirement type="package" version="@TOOL_VERSION@">rdkit</requirement> <yield /> </requirements> </xml> |