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Merge pull request #453 from RECETOX/hechth-patch-7
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hechth authored Dec 1, 2023
2 parents ad718c9 + 1e765f8 commit 0ea5c86
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Showing 4 changed files with 8 additions and 8 deletions.
4 changes: 2 additions & 2 deletions tools/matchms/matchms_formatter.xml
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<tool id="matchms_formatter" name="matchms scores formatter" version="@TOOL_VERSION@+galaxy1" profile="21.09">
<tool id="matchms_formatter" name="matchms scores formatter" version="@TOOL_VERSION@+galaxy2" profile="21.09">
<description>reformat scores object of matchms to long format table</description>

<macros>
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<environment_variables>
<environment_variable name="MPLCONFIGDIR">\$_GALAXY_JOB_TMP_DIR</environment_variable>
<environment_variable name="XDG_CACHE_HOME">\$_GALAXY_JOB_TMP_DIR</environment_variable>
<environment_variable name="OPENBLAS_NUM_THREADS">1</environment_variable>
<environment_variable name="OPENBLAS_NUM_THREADS">4</environment_variable>
</environment_variables>

<configfiles>
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4 changes: 2 additions & 2 deletions tools/matchms/matchms_metadata_merge.xml
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@@ -1,4 +1,4 @@
<tool id="matchms_metadata_merge" name="matchms metadata merge" version="@TOOL_VERSION@+galaxy2" profile="21.09">
<tool id="matchms_metadata_merge" name="matchms metadata merge" version="@TOOL_VERSION@+galaxy3" profile="21.09">
<description>Merge metadata csv into MSP by a specified column</description>

<macros>
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]]></command>

<environment_variables>
<environment_variable name="OPENBLAS_NUM_THREADS">1</environment_variable>
<environment_variable name="OPENBLAS_NUM_THREADS">4</environment_variable>
</environment_variables>

<configfiles>
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4 changes: 2 additions & 2 deletions tools/matchms/matchms_subsetting.xml
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@@ -1,4 +1,4 @@
<tool id="matchms_subsetting" name="matchms subsetting" version="@TOOL_VERSION@+galaxy2" profile="21.09">
<tool id="matchms_subsetting" name="matchms subsetting" version="@TOOL_VERSION@+galaxy3" profile="21.09">
<description>Extract spectra from a library given unique metadata identifier</description>

<macros>
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]]></command>

<environment_variables>
<environment_variable name="OPENBLAS_NUM_THREADS">1</environment_variable>
<environment_variable name="OPENBLAS_NUM_THREADS">4</environment_variable>
</environment_variables>

<configfiles>
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4 changes: 2 additions & 2 deletions tools/rem_complex/rem_complex.xml
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@@ -1,4 +1,4 @@
<tool id="rem_complex" name="Remove coordination complexes" version="@TOOL_VERSION@+galaxy1" profile="21.09">
<tool id="rem_complex" name="Remove coordination complexes" version="@TOOL_VERSION@+galaxy2" profile="21.09">
<description>Remove molecular coordination complexes from a list of structure representations</description>
<macros>
<import>macros.xml</import>
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]]></command>

<environment_variables>
<environment_variable name="OPENBLAS_NUM_THREADS">1</environment_variable>
<environment_variable name="OPENBLAS_NUM_THREADS">4</environment_variable>
</environment_variables>

<inputs>
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