Add UKACM & GACM tutorial: Orchestrating 4C simulations with QUEENS

[reginabuehler]

Description and Context:
What and Why?

This PR continues the inclusion of tutorials from the UKACM & GACM Autumn School workshop into QUEENS.
It adds the third tutorial orchestrating-4C-simulations-with-QUEENS into the QUEENS documentation as 4_orchestrating_4C_simulations_with_QUEENS and tests this by including it into the documentation build of the CI pipeline.
The content of the tutorial was peer-reviewed during development.

It contains:

• integrated 4C runs (either via the 4C docker in the CI pipeline or a local installation symlinked to the corresponding directory in QUEENS)
• static pyvista plots (as opposed to interactive): They run reliably on the CI pipeline and are displayed in the documentation. When running the Jupyter notebook locally they might cause the kernel to crash. This is a known issue from the original draft of the tutorial before the workshop. For now, it is possible to disable the pyvista plots and refer to the tutorial on the documentation website. In the future, the local behaviour of the pyvista plots can be improved in a separate PR.

Notes during development:

How can pyvista plots be handled?

• Current solution: runs in CI, option to disable pyvista locally and refer to online tutorial in documentation? (What's the point of running the tutorial locally then?)
• meshio mesh plot is useless
• pyvista plots might not work in the IDE, but they worked in the browser? Was the docker needed for that? Do I need to set up the same/another QUEENS docker?

Miscellaneous notes:

• The following 4C simulations do not run (intended by the tutorial). However, I am not sure if the 4C errors are intended like this, but maybe the handling of wrong input parameters in 4C changed.

The file '/github/home/queens-experiments/grid_4x21/81/output/output-structure.pvd' does not exist!
The file '/github/home/queens-experiments/grid_4x21/80/output/output-structure.pvd' does not exist!
The file '/github/home/queens-experiments/grid_4x21/82/output/output-structure.pvd' does not exist!
The file '/github/home/queens-experiments/grid_4x21/83/output/output-structure.pvd' does not exist!

PROC 0 ERROR in /home/4C/src/global_data/4C_global_data_read.cpp, line 1373:
Failed to match specification in section 'MATERIALS'. The error was:
PROC 0 ERROR in /home/4C/src/core/io/src/4C_io_input_spec_builders.cpp, line 633:
Could not match this input

MATERIALS:
  - MAT: 1
    MAT_Struct_StVenantKirchhoff:
      YOUNG: 10.0
      NUE: 0.5
      DENS: 1

Related Issues and Pull Requests

• Closes
• Related to Tutorials #58

Interested Parties

Note: More information on the merge request procedure in QUEENS can be found in the Submit a pull request section in the CONTRIBUTING.md file.

[leahaeusel]

I apologize in advance for the high number of comments, but don't worry, almost all of them concern small grammar mistakes...

Overall, I really like this tutorial and believe it will be very valuable to future QUEENS users, so thank you for adapting it for our documentation! 🚀

[leahaeusel]

I apologize in advance for the high number of comments, but don't worry, almost all of them concern small grammar mistakes...

Overall, I really like this tutorial and believe it will be very valuable to future QUEENS users, so thank you for adapting it for our documentation! 🚀

[reginabuehler]

Thanks for the comments and for catching so many details, @leahaeusel!
I will incorporate them this week.

[reginabuehler]

@leahaeusel I addressed all your points. Can you take another look?
Thanks for all your effort!

[leahaeusel]

Changes look good to me, thanks for taking care of it!

[sbrandstaeter]

It is great to see that the tutorial originally designed by @gilrrei for the UKACM & GACM school can now be merged into main.

Thank you to @gilrrei for the initial design and to @reginabuehler for bringing it to the current state.