gather workflows for end-to-end testing

[mr-c]

@timosachsenberg , Oliver said you might have some Galaxy workflows that used the output of CTDConverter?

[timosachsenberg]

Not sure. AFAIK, we generate our galaxy node wrappers using CTD and we have some galaxy workflows. Would this help?

[bgruening]

GTN has a few workflows included that worked last time we used them. However, those are training workflows.

[mr-c]

Not sure. AFAIK, we generate our galaxy node wrappers using CTD and we have some galaxy workflows. Would this help?

Yes, any workflow that uses CTD-derived tool descriptions would be useful!

[bernt-matthias]

Yep. All OpenMS tools for version > 2.5 are derived from CTD (99.9% automatically with a few [2] exceptions where patches are used). The workflows @timosachsenberg is working on should use the latest version of these tools.

[mr-c]

@timosachsenberg can you link me to your workflows? Is there (small) testing data?

[mr-c]

Metabolite_Adduct _Grouping

WF: https://usegalaxy.eu/u/annalefarova/w/metaboliteadduct-grouping
History: https://usegalaxy.eu/u/annalefarova/h/metaboliteadductgrouping
Data:
https://abibuilder.informatik.uni-tuebingen.de/archive/openms/Tutorials/Data/latest/Example_Data/Metabolomics/

Proteomics_LFQ

WF: https://usegalaxy.eu/u/annalefarova/w/proteomicslfq
Data: 1)
https://abibuilder.informatik.uni-tuebingen.de/archive/openms/Tutorials/Data/latest/Example_Data/Labelfree/datasets/
2)
https://abibuilder.informatik.uni-tuebingen.de/archive/openms/Tutorials/Data/latest/Example_Data/Labelfree/databases/s_pyo_sf370_potato_human_target_decoy_with_contaminants.fasta