Improve results tab to make it more user-friendly

[edan-bainglass]

• Make the tree view hidden by default, e.g. in a tab "Advanced workflow tree view"
• Replace with simpler tickbox interface showing what is not run yet and waiting for dependencies, what is running (orange emoji?) and what is finished, with a quick overview as well as clickable links to the relevant calculations. See suggestions here:
• In the "Main settings", add information on the structure (Chemical formula, number of atoms, maybe even space group and cell vectors (a, b, c, alpha, beta, gamma)
• In the title "QE App workflow (pk: 909)" replace instead simply with: Workflow details and, among the very first settings (or even better, before "Main settings", a first category "Workflow properties", with the following bullet points: PK, UUID, Label, Description, Creation time: 12 May 2024 12:42 (3 months ago) (with the suggested format before), and same for Last modification time.
• In the advanced settings, write something near "Initial magnetic moments" if not set (e.g. "non-magnetic calculation" or "No initial moments set") - hidden if unset

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Remember not to use any AiiDA language in the simple view (OK to use "Workflows" or "Calculations" or similar general terms, ideally defining internally what we mean with them so we use them consistently, but no WorkChain or PhononWorkChain or similar)

[edan-bainglass]

@giovannipizzi @cpignedoli too simple?

[giovannipizzi]

I like it! Maybe we can hide the initial magnetic moments if unset, or write something so say that they were not set

[edan-bainglass]

@giovannipizzi @cpignedoli regarding the simplified process tree...

humanized_process_tree.mp4

Feedback please 🙏

Note that one issue already is that the total jobs is currently len(node.called), but that grows dynamically as you can see. I need some way to know in advance what jobs are planned to run. Thinking... input welcomed!

update

I can extract the counts from root.get_metadata_inputs() 👍 This works quite nicely, though it does require a bit of logic to handle certain exceptions.

humanized_process_tree.mp4

[giovannipizzi]

Looks good! If you manage to fix the number of total steps that's great, maybe keep the logic confined in a function if possible, with good docs. Otherwise ok for me to have a fallback mechanism where the total number might change (e.g., I don't think we can know in advance how many restarts the relax worckchain or scf workchain will do). Rsync does the same, one can also wrote it in some doc page or as a note, or use a symbol to say that the number is estimated (e.g., 3/5*), or even don't write at all the total when it's unknown.

Only typographical note, I would write k-points with k always lower case. Also, personally I'd use the dash only if it's an adjective, so "k-point density" but "number of k points", but this is probably a bit more debatable

[edan-bainglass]

@giovannipizzi see #1048 for current status. The total number is resolved, though I did not consider restart workflows. I can make a special case for them, in which it will take on a dynamic form (the * is a nice added touch).

As for k-points, I agree that k should be lower case. You can probably tell my opinion regarding the dash from the previous sentence 😅 Though I think from an English perspective, you are correct.