Iterative signature algorithm for dalcotidine.

[rrueedi]

Tested and working on local phenomenal instance. I am unclear why line 308 in config/phenomenal_tools2container.yaml still shows v0.2.0_cv0.4.62 as value for docker_tag_override. The change to v0.2.1_cv0.4.1.64 was already introduced in commit #222

[korseby]

Hi @rrueedi , I merged the master branch with develop and triggered a new build in jenkins. The version tag for the release is: v0.1_cv0.1.27

[pcm32]

Please merge to release branch if this is for the release. Thanks.

[pkrog]

Hi @rrueedi , your tag v0.2.1_cv0.4.1.64 is wrong, as the container version defined in your container repository Dockerfile cannot have 3 figures. I've looked at phnmnl/container-iterative-signature-algorithm repository, and I understand the tag found by @korseby . In your Dockerfile the version and the software.version labels are both defined to 0.1. Please set them to the appropriate values if needed. version refers to the container version and must have two numbers like 1.2, and software.version refers to your tool version and can be any form but preferably three figures like 1.2.3.

[pkrog]

And, if you want that PR to be merged for the dalcotidine release, please change the target branche from develop to release/18.01_dalcotidine. Let me know if you want to do it for you.

[rrueedi]

@pkrog : you're referring to two different containers, so here's what I did: I've updated the Dockerfile in https://github.com/phnmnl/container-metabomatching to use an x.y version format instead of x.y.z. The new tag, as per Jenkins, for metabomatching is v0.2.1_cv0.5.67

This branch, however, is to insert https://github.com/phnmnl/container-iterative-signature-algorithm into Galaxy. For this container, the tag v0.1_cv0.1.27 is correct. I therefore made no changes.

I am indeed looking for both of these changes to be merged into dalcotidine. So I'll change the target branch for this merge. But what about metabomatching? @ilveroluca merged the new branch into develop [#222], then deleted the branch. It doesn't look like the changes carried over into release/18.01_dalcotidine, so do I redo the branch and a new merge request?

[korseby]

There are some unresolved issues now probably caused by going to release-18.01.

@rrueedi :

• Please fix the external-datatypes/no_unzip_datatypes. Leftover from merge.
• Where are the other tools in rehsape2 come from, melt and cast? And what about postProcessing/fingerprintclustering?
• Please fix simplified_galaxy_stable_container_creation.sh, leftover from merge.
• in various OpenMS tools you change to: <param name="param_in" type="data" format="txt". Please verify that this is correct.
• Please remove the change in: tools/phenomenal/ms/metfrag.xml . This will be handled by @c-ruttkies .

[rrueedi]

@pkrog @korseby None of those are my changes, of course. I suppose develop was farther along than release/v18.01-dalcotidine. I'm closing this request, and starting anew.