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for images prefer cerit-hosted singularity #715

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15f1ed2
for images prefer cerit-hosted singularity
martenson Sep 3, 2025
ebaa677
bump tool wrapper versions to use preferred requirement img
martenson Sep 3, 2025
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1 change: 1 addition & 0 deletions tools/qcxms/macros.xml
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<token name="@TOOL_VERSION@">5.2.1</token>
<xml name="requirements">
<requirements>
<container type="singularity">oras://cerit.io/galaxy/qcxms-docker:@TOOL_VERSION@</container>
<container type="docker">recetox/qcxms-docker:@TOOL_VERSION@</container>
</requirements>
</xml>
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2 changes: 1 addition & 1 deletion tools/qcxms/qcxms_getres.xml
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<tool id="qcxms_getres" name="QCxMS get results" version="@TOOL_VERSION@+galaxy3" profile="22.09">
<tool id="qcxms_getres" name="QCxMS get results" version="@TOOL_VERSION@+galaxy4" profile="22.09">
<description>Get result of the Production run to obtain a QCxMS simulated mass spectrum</description>

<macros>
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2 changes: 1 addition & 1 deletion tools/qcxms/qcxms_neutral_run.xml
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<tool id="qcxms_neutral_run" name="QCxMS neutral run" version="@TOOL_VERSION@+galaxy6" profile="22.09">
<tool id="qcxms_neutral_run" name="QCxMS neutral run" version="@TOOL_VERSION@+galaxy7" profile="22.09">
<description>required as first step to prepare for the production runs</description>

<macros>
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2 changes: 1 addition & 1 deletion tools/qcxms/qcxms_prod_run.xml
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<tool id="qcxms_production_run" name="QCxMS production run" version="@TOOL_VERSION@+galaxy4" profile="22.09">
<tool id="qcxms_production_run" name="QCxMS production run" version="@TOOL_VERSION@+galaxy5" profile="22.09">
<description>Production run to obtain a QCxMS simulated mass spectrum</description>

<macros>
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1 change: 1 addition & 0 deletions tools/recetox_msfinder/macros.xml
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<token name="@TOOL_VERSION@">v3.5.2</token>
<xml name="requirements">
<requirements>
<container type="singularity">oras://cerit.io/galaxy/recetox-msfinder:v3.5.2-rcx2</container>
<container type="docker">recetox/recetox-msfinder:v3.5.2-rcx2</container>
</requirements>
</xml>
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2 changes: 1 addition & 1 deletion tools/recetox_msfinder/recetox_msfinder.xml
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<tool id="recetox_msfinder" name="RECETOX MsFinder" version="@TOOL_VERSION@+galaxy4">
<tool id="recetox_msfinder" name="RECETOX MsFinder" version="@TOOL_VERSION@+galaxy5">
<description>Annotation of fragment peaks in mass spectral libraries.</description>
<macros>
<import>macros.xml</import>
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1 change: 1 addition & 0 deletions tools/retip/macros.xml
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Expand Up @@ -28,6 +28,7 @@

<xml name="requirements">
<requirements>
<container type="singularity">oras://cerit.io/galaxy/retip:@TOOL_VERSION@-recetox4</container>
<container type="docker">recetox/retip:@TOOL_VERSION@-recetox4</container>
</requirements>
</xml>
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2 changes: 1 addition & 1 deletion tools/retip/retip_apply.xml
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<tool id="retip_apply" name="Retip prediction" version="@TOOL_VERSION@+galaxy5">
<tool id="retip_apply" name="Retip prediction" version="@TOOL_VERSION@+galaxy6">
<description>is retention time predictor for Metabolomics</description>
<macros>
<import>macros.xml</import>
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2 changes: 1 addition & 1 deletion tools/retip/retip_descriptors.xml
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<tool id="retip_descriptors" name="Retip chemical descriptors" version="@TOOL_VERSION@+galaxy5">
<tool id="retip_descriptors" name="Retip chemical descriptors" version="@TOOL_VERSION@+galaxy6">
<description>for retention time prediction</description>
<macros>
<import>macros.xml</import>
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2 changes: 1 addition & 1 deletion tools/retip/retip_filter_rt.xml
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<tool id="retip_filter_rt" name="Retip filter" version="@TOOL_VERSION@+galaxy5">
<tool id="retip_filter_rt" name="Retip filter" version="@TOOL_VERSION@+galaxy6">
<description>for predicted RT's</description>
<macros>
<import>macros.xml</import>
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2 changes: 1 addition & 1 deletion tools/retip/retip_train.xml
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<tool id="retip_train" name="Retip training" version="@TOOL_VERSION@+galaxy5">
<tool id="retip_train" name="Retip training" version="@TOOL_VERSION@+galaxy6">
<description>the Keras model to predict retention times</description>
<macros>
<import>macros.xml</import>
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