Hadrien Mary

> Are there particular packages you'd need besides required, optimization, and dispersion? No, so far, I am just exploring a few ideas/experiments (using qcengine mostly) and only require `psi4`. I...

Closed by https://github.com/psi4/psi4/issues/2300#issuecomment-1523559384

Thanks. I am aware of this and should have mentioned it actually in my first message. I am looking for an automated way of doing it. But maybe it's a...

I'll consider it for sure if the `examples/pod-metadata.yaml` workaround becomes too cumbersome.

I started to look at various entry points in the code to integrate this. I found https://github.com/argoproj/argo/blob/91bce2574fab15f4fab4bc4df9e50563aa748838/workflow/controller/workflowpod.go#L131 to be a potentially good candidate to add the labels of the workflow...

@arghya88 still interested working on that?

I was looking for a way to automatically set those labels from the labels of the workflow. But yeah I'll use `podMetadata` if that's not something you think is worse...

Jumping here as I was looking for an easy method to pull the density from a qcengine computation (using `psi4`). I found it's possible to do that in `psi4` using...

Seems to be related to Vodo api limitation. Theya re currently working on it. So let's wait the API is stable before digging into that.

Same here. I need to manually set the correct language all the time for the same series.