Demo Neutron simulation as a service in jupyter hub for M5.2

PaNOSC-ViNYL / ViNYL-project

This repository keeps track of tasks, milestones, deliverables of workpackage 5 in panosc.

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Demo Neutron simulation as a service in jupyter hub for M5.2 #41

Open CFGrote opened 3 years ago

CFGrote commented 3 years ago

The Demo includes:

Login on jupyter hub
Duplicate a given tutorial notebook
Open the notebook
Select the kernel
Execute the notebook as it is
Change parameters according to new simulation setting
Execute the new simulation
Analyse the data in the notebook
Publish the new simulation / data on gh / zenodo

shervin86 commented 3 years ago

mads-bertelsen commented 3 years ago

Login on jupyer hub: do we have it installed on a machine available to us and publicly visible?

During a WP 5 SCRUM meeting Carsten specified that a closed Jupyter Hub on our respective sites are sufficient for the demos, we will then later create a common Jupyter Hub where all the packages are available.

The ESS is currently setting up a Jupyter Hub for all ESS software related to simulation and data analysis, including McStas and McStasScript. I am getting access to this and will read up on the build scripts and similar. It uses docker containers for each package, and McStas / McStasScript has its container here: https://github.com/McStasMcXtrace/McCode/tree/master/Docker/mcstas/mcstasscript

mads-bertelsen commented 3 years ago

Did a demo on our group Jupyter Hub showing how McStasScript runs there and has an entire set of tutorial notebooks.

https://project.esss.dk/owncloud/index.php/s/2tUxAf5YHuzHGjo

All the requirements from above are fulfilled, except upload of data to gh / zenodo. During a call it was specified this part is not that important for the current iteration, and is something that will be generalized by the pyvinyl package anyway.

The Jupyter Hub used for this demo is brand new, I was the first tester and it was rushed a bit so I could use it for this demo. There is some documentation behind the setup, it is available here https://github.com/trnielsen/Docker