Merge pull request galaxyproject#294 from workflow4metabolomics/w4m-gcms

Add metabomics-gcms-with-metams

workflows/metabomics/gcms-metams/.dockstore.yml

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+version: 1.2
+workflows:
+- name: main
+  subclass: Galaxy
+  publish: true
+  primaryDescriptorPath: /Mass-spectrometry__GCMS-with-metaMS.ga
+  testParameterFiles:
+  - /Mass-spectrometry__GCMS-with-metaMS-tests.yml
+  authors:
+  - name: workflow4metabolomics
+    image: https://raw.githubusercontent.com/workflow4metabolomics/workflow4metabolomics/master/images/logo/logo_w4m-0.1-black-orange.png
+    url: https://workflow4metabolomics.org/

workflows/metabomics/gcms-metams/CHANGELOG.md

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+# Changelog
+
+All notable changes to this project will be documented in this file.
+
+## [0.1] - 2023-11-22
+
+First release

workflows/metabomics/gcms-metams/Mass-spectrometry__GCMS-with-metaMS-tests.yml

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+- doc: Test outline for Mass-spectrometry__GCMS-with-metaMS.ga
+  job:
+    sampleMetadata:
+      class: File
+      location: https://zenodo.org/record/3631074/files/sampleMetadata.tsv
+      filetype: tabular
+    Mass-spectrometry Dataset Collection:
+      class: Collection
+      collection_type: list
+      elements:
+      - class: File
+        identifier: alg11.mzData
+        location: https://zenodo.org/record/3631074/files/alg11.mzData
+        filetype: mzdata
+      - class: File
+        identifier: alg2.mzData
+        location: https://zenodo.org/record/3631074/files/alg2.mzData
+        filetype: mzdata
+      - class: File
+        identifier: alg3.mzData
+        location: https://zenodo.org/record/3631074/files/alg3.mzData
+        filetype: mzdata
+      - class: File
+        identifier: alg7.mzData
+        location: https://zenodo.org/record/3631074/files/alg7.mzData
+        filetype: mzdata
+      - class: File
+        identifier: alg8.mzData
+        location: https://zenodo.org/record/3631074/files/alg8.mzData
+        filetype: mzdata
+      - class: File
+        identifier: alg9.mzData
+        location: https://zenodo.org/record/3631074/files/alg9.mzData
+        filetype: mzdata
+  outputs:
+    metaMS.runGC dataMatrix:
+      path: test-data/metaMS.runGC_dataMatrix.tabular
+      lines_diff: 10
+    Multivariate variableMetadata:
+      asserts:
+          - that: has_n_lines
+            n: 42
+          - that: has_text
+            text: "Unknown 1\tUnknown\t0.0046\t19.499\t-0.17"
+          - that: has_text
+            text: "Unknown 41\tUnknown\t0.0039\t14.857\t-0.08"
+    Multivariate sampleMetadata:
+      asserts:
+          - that: has_n_lines
+            n: 7
+          - that: has_text
+            text: "alg11\tFWS_100perNaCl\t-6.2"
+          - that: has_text
+            text: "alg8\tFWS_5percNaCL\t-0.6"