Merge pull request #416 from RECETOX/hechth/issue414

Update matchms to 0.23.1
RECETOX · Oct 19, 2023 · a493624 · a493624
2 parents b1cc1ae + b8ea8d1
commit a493624
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Showing 14 changed files with 12 additions and 344 deletions.
diff --git a/tools/matchms/macros.xml b/tools/matchms/macros.xml
@@ -1,5 +1,5 @@
 <macros>
-    <token name="@TOOL_VERSION@">0.22.0</token>
+    <token name="@TOOL_VERSION@">0.23.1</token>
 
     <xml name="creator">
         <creator>

diff --git a/tools/matchms/matchms_add_key.xml b/tools/matchms/matchms_add_key.xml
@@ -1,4 +1,4 @@
-<tool id="matchms_add_key" name="matchms add key" version="@TOOL_VERSION@+galaxy1" profile="21.09">
+<tool id="matchms_add_key" name="matchms add key" version="@TOOL_VERSION@+galaxy0" profile="21.09">
     <description>Set metadata key in MSP to static value</description>
 
     <macros>

diff --git a/tools/matchms/matchms_convert.xml b/tools/matchms/matchms_convert.xml
@@ -1,4 +1,4 @@
-<tool id="matchms_convert" name="matchms convert" version="@TOOL_VERSION@+galaxy2" profile="21.05">
+<tool id="matchms_convert" name="matchms convert" version="@TOOL_VERSION@+galaxy0" profile="21.05">
     <description>convert between mass spectral library formats (.mgf/.msp/.json) using matchms</description>
 
     <macros>

diff --git a/tools/matchms/matchms_filtering.xml b/tools/matchms/matchms_filtering.xml
@@ -1,4 +1,4 @@
-<tool id="matchms_filtering" name="matchms filtering" version="@TOOL_VERSION@+galaxy2" profile="21.09">
+<tool id="matchms_filtering" name="matchms filtering" version="@TOOL_VERSION@+galaxy0" profile="21.09">
     <description>filter and normalize mass spectrometry data</description>
 
     <macros>

diff --git a/tools/matchms/matchms_fingerprint_similarity.xml b/tools/matchms/matchms_fingerprint_similarity.xml
@@ -1,4 +1,4 @@
-<tool id="matchms_fingerprint_similarity" name="matchms fingerprint similarity" version="@TOOL_VERSION@+galaxy1" profile="21.09">
+<tool id="matchms_fingerprint_similarity" name="matchms fingerprint similarity" version="@TOOL_VERSION@+galaxy0" profile="21.09">
     <description>calculate similarity between molecular fingerprints calculated from structural spectrum metadata descriptors</description>
 
     <macros>

diff --git a/tools/matchms/matchms_formatter.xml b/tools/matchms/matchms_formatter.xml
@@ -1,4 +1,4 @@
-<tool id="matchms_formatter" name="matchms scores formatter" version="@TOOL_VERSION@+galaxy3" profile="21.09">
+<tool id="matchms_formatter" name="matchms scores formatter" version="@TOOL_VERSION@+galaxy0" profile="21.09">
     <description>reformat scores object of matchms to long format table</description>
 
     <macros>

diff --git a/tools/matchms/matchms_metadata_export.xml b/tools/matchms/matchms_metadata_export.xml
@@ -1,4 +1,4 @@
-<tool id="matchms_metadata_export" name="matchms metadata export" version="@TOOL_VERSION@+galaxy2" profile="21.09">
+<tool id="matchms_metadata_export" name="matchms metadata export" version="@TOOL_VERSION@+galaxy0" profile="21.09">
     <description>extract all metadata from mass spectra file to tabular format</description>
     <macros>
         <import>macros.xml</import>

diff --git a/tools/matchms/matchms_metadata_match.xml b/tools/matchms/matchms_metadata_match.xml
@@ -1,4 +1,4 @@
-<tool id="matchms_metadata_match" name="matchms metadata match" version="@TOOL_VERSION@+galaxy2" profile="21.09">
+<tool id="matchms_metadata_match" name="matchms metadata match" version="@TOOL_VERSION@+galaxy0" profile="21.09">
     <description>matchms metadata match calculation for numeric fields based on tolerance</description>
 
     <macros>

diff --git a/tools/matchms/matchms_networking.xml b/tools/matchms/matchms_networking.xml
@@ -1,4 +1,4 @@
-<tool id="matchms_networking" name="matchms networking" version="@TOOL_VERSION@+galaxy2" profile="21.09">
+<tool id="matchms_networking" name="matchms networking" version="@TOOL_VERSION@+galaxy0" profile="21.09">
     <description>create similarity network graph from matchms similarity scores</description>
 
     <macros>

diff --git a/tools/matchms/matchms_similarity.xml b/tools/matchms/matchms_similarity.xml
diff --git a/tools/matchms/matchms_similarity_wrapper.py b/tools/matchms/matchms_similarity_wrapper.py
diff --git a/tools/matchms/matchms_spectral_similarity.xml b/tools/matchms/matchms_spectral_similarity.xml
@@ -1,4 +1,4 @@
-<tool id="matchms_spectral_similarity" name="matchms spectral similarity" version="@TOOL_VERSION@+galaxy2" profile="21.09">
+<tool id="matchms_spectral_similarity" name="matchms spectral similarity" version="@TOOL_VERSION@+galaxy0" profile="21.09">
     <description>matchms spectral similarity calculation</description>
 
     <macros>