Marnik Bercx

@sudarshanv01 just a quick ping on this: will you still have time to update the PR based on @sphuber's suggestions? If not, that's fine, I'd happily take over to fix...

@matthew-truscott just pinging you so you are aware of this proposed change by @sudarshanv01. Would the `EnvPwCalculation` still be needed once this PR is merged?

With @csadorf's help, I've [adapted the docker stack](https://github.com/aiidalab/aiidalab-docker-stack/pull/308) to our needs for the tutorial (Installing QE, `aiida-quantumespresso`, ...), and have updated the versions to the latest releases (see email for...

Thanks @unkcpz for letting us know! I'll adapt the timeout in the terraform setup. @csadorf just to be sure, the value to be adapted is the `startTimeout` here, right? ```yaml...

> I'm just a bit surprised that this has not been an issue during your tests. Yeah, strange that the issue only pops up now. The timeout is currently at...

Note that this causes a `vc-relax` `PwCalculation` to `Except`: ``` *** 2 LOG MESSAGES: +-> REPORT at 2022-01-28 13:35:15.540322+00:00 | [6569|PwCalculation|on_except]: Traceback (most recent call last): | File "/home/mbercx/envs/aiida-dev/code/aiida-quantumespresso/aiida_quantumespresso/utils/validation/trajectory.py", line...

Thanks for the reply, @pietrodelugas! We'll have to adapt the parser a bit based on the verbosity level. Or maybe simply filter these lines out before parsing starts.

Pinging @sphuber for comments, since this should probably still be added to v3.3.2.

> Which version were you running? I'm running QE v6.6. I was also surprised to run into this issue, as I _thought_ I had field tested all the different `RelaxType`s...

Support for the `VOLUME` and `POSITIONS_VOLUME` `RelaxType`s was temporarily removed in #660, until we sort out how to deal with this properly.