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nomad-coe / electronic-parsers

Apache License 2.0
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Add date_start and date_end for openmx parser + tests #212

Closed jfrodlova closed 2 months ago

ondracka commented 3 months ago

ping @ndaelman-hu @ladinesa

Hi guys, @jfrodlova is my colleague, now working on some nomad improvements for a local Oasis. This one is just a simple parser enhancement, related to the topic having a time-based search field for when specific calculation was done (we are working also on the server-side changes, discussed at Discord https://discord.com/channels/1201445470485106719/1211709027365552220 but those are not ready yet).

I did some preliminary review, but more feedback would be welcomed as always.

ondracka commented 2 months ago

I'll just merge this in a few days if there are no objections.

JosePizarro3 commented 2 months ago

I will also answer in the Discord thread, sorry, I am not following the oasis channel too much 🙂

ondracka commented 2 months ago

Thanks Jose

ondracka commented 2 months ago

@JosePizarro3 BTW the test failures are not our fault, right (we passed everything before)? This looks more like some out of sync with main nomad repo?

JosePizarro3 commented 2 months ago

@JosePizarro3 BTW the test failures are not our fault, right (we passed everything before)? This looks more like some out of sync with main nomad repo?

Yeah, I think so. Strange that now it is having some errors with it, probably it is related with the plugins transfer.

I would not worry too much I were you; just make sure that the testing passes locally by doing python -m pytest -sv tests (and pray that the FHIaims parser does not kill the memory of your computer during pytesting... 😆 )