Add optional argument to gemdash, to specify trajectory location

[v1kko]

This pull request adds the optional --file [FILE] argument to gemdash

[v1kko]

Hi @AstyLavrinenko can you test this branch on Windows to check if it works?

[AstyLavrinenko]

Hi @AstyLavrinenko can you test this branch on Windows to check if it works?

Hi Victor, I checked. I can open the dashboard without specifying the path to the vasprun file. However, when the dashboard is open, I cannot select or change the file path. Inserting the path directly doesn't work either. Also It seems I need to open a new dashboard if I want to switch to a different vasprun file since changing the path in the open window failed.

[v1kko]

I am not able to reproduce such an issue. The only time I cannot adjust the path is when I stop gemdash on the commandline, then the boxes in the dashboard get grayed out. However if I restart gemdash again (even with a different --file <vasprun.xml path>) it becomes selectable again. (provided that it servers the dashboard on the same location, http://localhost:8501 for example.)

Can you share a step by step example of how you use it when you encounter the issue?
Something like:

• Start gemdash -f simulation1/vasprun.xml, running on http://localhost:8501
• Open browser at http://localhost:8501
• Stop gemdash
• Start gemdash -f simulation2/vasprun.xml, running on http://localhost:8501
• Issue while changing path in first browser!

[v1kko]

I am merging this now, if there are still issues, we can take care of them via a new issue/pull request

[AstyLavrinenko]

Hi @v1kko
Sorry for the late reply—it's been a bit of a crazy few weeks on my end. I just checked the dashboard installed locally from a new repo. It worked, I can paste the path or change it directly in the browser