NFDI4Ing Scientific Workflow Requirements

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Philipp Diercks

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Jun 3, 2022, 12:08:15 PMJun 3
to python-doit
Dear developers of Doit!

in a project within the German National Research Data Infrastructure (NFDI) initiative (for the engineering sciences, https://nfdi4ing.de/de), we are currently developing a portfolio of tools for the creation and documentation of reproducible simulation workflows.
For this purpose, we have created a repository (https://github.com/BAMresearch/NFDI4IngScientificWorkflowRequirements), including an online documentation, to discuss how scientific workflows should be created/packaged/published in order to be as FAIR as possible.
We want to evaluate if existing workflow management systems provide the required features we have identified for our community, the engineering sciences.

So far, as source of information we have used the online documentation available for Doit, and implemented a "simple use case" representative of workflows in the engineering sciences to learn about Doit.
We hope for your contributions in correcting any misconceptions or misinterpretation.

We kindly ask you to review
    (a) the example implementation of the simple use case,
    (b) a manuscript we prepared to explain the results of our evaluation
and look forward to your feedback.

The example implementation of the simple use case can be found here:
https://github.com/BAMresearch/NFDI4IngScientificWorkflowRequirements/tree/main/simple_use_case
The manuscript can be found here:
https://bambund-my.sharepoint.com/:b:/g/personal/philipp_diercks_bam_de/EftPLEKg091GqAKNBi-euVYB0y2Y8j_oorutkV1Y_CLEQw?e=ovCf8f
For more information on the context within NFDI4Ing, we refer to the key challenges & objectives of the archetype BETTY:
https://nfdi4ing.de/archetypes/betty/

Best regards,
On behalf of the team,
Philipp Diercks

Bundesanstalt für Materialforschung und –prüfung (BAM)

M. Sc. Philipp Diercks
7.7 Modeling and Simulation

Unter den Eichen 87
12205 Berlin
GERMANY

Phone: + 49 30 8104-4037
E-mail: philipp...@bam.de


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schettino72

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Jun 5, 2022, 5:31:47 PMJun 5
to python-doit

Hi Philipp,

That is really nice to see a through out evaluation of workflow tools.
And thanks for giving a chance to authors to reply.

I read through the "mission & goals" but not clear the scope of work.
You guys plan only to evaluate the tools? Or also pick a winner and work on design and implementation of new tools?

I guess it makes more sense to respond directly on your the evaluation repository on github.
I will do it later this week.
I also have some feedback of the evaluation criteria itself...

Just a quick note, that "doit" is never capitalized. If you feel that's ambiguous "pydoit" is also ok.
 
Regards,
  Eduardo

Philipp Diercks

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Jul 21, 2022, 4:39:00 AMJul 21
to python-doit
Hi Eduardo,

sorry for the late response and thank you for your message.


>I read through the "mission & goals" but not clear the scope of work.
>You guys plan only to evaluate the tools? Or also pick a winner and work on design and implementation of new tools?

The scope of the work is to evaluate the tools based on the requirements we derived from the user stories.
The user stories are specific to the engineering sciences and therefore, we think that there is not a winner.
We want to make a comparison to support people in decision making, which tool may be most suitable for their task at hand.


> I guess it makes more sense to respond directly on your the evaluation repository on github.
> I will do it later this week.
> I also have some feedback of the evaluation criteria itse

I guess you are very busy, but did you have a chance to work on that?
I would like to hear your feedback on the evaluation criteria.

Best regards,
Philipp
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