Andrius Merkys

Results 194 comments of Andrius Merkys

[PyPI lists](https://pypi.org/project/mhfp/#history) a bunch of releases. Most likely they are just not tagged in git. Tags in git would be really nice.

Has there been any progress in AMBER ff19SB support direction?

I mean the following lines of the same LICENSE file: https://github.com/dot-asm/cryptogams/blob/097e2c78fde687c76233a832125b1abb68e8a1d2/LICENSE#L21-L24

Oh right! I meant I would like to see them in the OpenAPI schema.

Thanks, this would be nice to have. Then multipurpose OpenAPI/JSON validators would validate OPTIMADE responses with similar level of strictness.

> We also need to decide how we want to support newer versions of the specification going forward, e.g., whether we will allow boolean queries at `v1.1` URLs... I am...

> We have a similar approach, where the boolean values have been added to a v1.2~development grammar. I think we will probably only be able to target 1 OPTIMADE minor...

Revisiting the proposal, I can say that I like the categories, but feel that the borders between them might be too blurry. Nevertheless specifying them in high detail might require...

Very happy to see this development! I have attempted to build a Debian package for coot some years ago, with varying level of success, but did not follow through the...

@alexmyczko have you pushed your packaging attempt somewhere? I would like to give it a shot.