Brent Westbrook comments

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                                            Brent Westbrook

Use org-ql to match org headings to be alerted.

Oh weird, I was wary of messing with `TZ`, but I thought wrapping it in `with-environment-variables` instead of setting it directly would help. I'm debugging the test failures now, starting...

Use org-ql to match org headings to be alerted.

I guess we can just use something like this to empty the cache: ``` (let ((org-ql-cache (make-hash-table))) (org-ql-select ...)) ``` As suggested [here](https://github.com/alphapapa/org-ql/issues/437#issuecomment-2186241413), so we don't have to give up...

Use org-ql to match org headings to be alerted.

Hmm, you're right, I get multiple notifications with your snippet too. Maybe I was too quick to blame the cache. However, changing `check-alert-some` to disable the cache *does* make it...

Use org-ql to match org headings to be alerted.

Well it looks like all the tests are passing here. I just want to resolve the `org-alert-notify-after-event-cutoff` rather than comment out that part of the tests and then this is...

Not all records being found for Hessian Dataset when converting from Optimization Dataset

I can reproduce this too. I *think* this is likely a problem with the dataset itself or its representation on QCArchive rather than a bug in qcsubmit. Extracting some of...

Not all records being found for Hessian Dataset when converting from Optimization Dataset

Assuming QCA uses the `qcelemental.models.Molecule` class to represent molecules, their [`__eq__`](https://github.com/MolSSI/QCElemental/blob/936407ecfd63e69b8299e117b15cdee6dba11933/qcelemental/models/molecule.py#L576) implementation compares the [hashes](https://github.com/MolSSI/QCElemental/blob/936407ecfd63e69b8299e117b15cdee6dba11933/qcelemental/models/molecule.py#L794) of the molecules, which includes a [hashed](https://github.com/MolSSI/QCElemental/blob/936407ecfd63e69b8299e117b15cdee6dba11933/qcelemental/models/molecule.py#L60) version of the geometry [rounded](https://numpy.org/doc/2.0/reference/generated/numpy.around.html) to [8](https://github.com/MolSSI/QCElemental/blob/936407ecfd63e69b8299e117b15cdee6dba11933/qcelemental/models/molecule.py#L46) decimal...

Sometimes can't find Ruff settings for files outiside of workspace when using native server. Works ok with Python-based server.

Thanks for the report! @dhruvmanila or @MichaReiser might have a better idea of the root cause than I do, but I was able to reproduce this. I created a project...

Modifications to config files that are used through `extend` in another config file don't trigger ruff-vscode to reload the config

Thanks for the report! This certainly sounds plausible to me, but @dhruvmanila might know more about how this works/is intended to work.

how to make this show alert for yesterday or past tasks that has not completed yet?

Thanks for the report! I think you will also need to modify `org-alert-match-string`, which has a default value of ` "SCHEDULED>=\"\"+SCHEDULED=\"\"+DEADLINE

`ruff format` or `ruff check` returns "nested alternate groups are not allowed" error

Does anyone have a link to a repo or gist where I could reproduce this? I'm trying to take a look but having some trouble reproducing it locally with this...