DeepRank / deeprank2

An open-source deep learning framework for data mining of protein-protein interfaces or single-residue variants.
https://deeprank2.readthedocs.io/en/latest/?badge=latest
Apache License 2.0
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Manage/set dependencies versions #607

Closed gcroci2 closed 1 month ago

gcroci2 commented 3 months ago

Given that active development on this project slowed down, we need to make the dependencies more reliable in terms of version used during the installation, including in the CI. The easiest way to go consists in just fixing dependency versions. However, it's good to try to avoid falling too far behind and encountering security issues.

I suggest:

I think it's good to first fix #559 (dropping entirely the conda thing) and then go for this one.

DaniBodor commented 2 months ago

Maybe part of this could also be to work with a single env file. The only difference I think is that the docker calls a separate file to install the local package. If there's a way to do this outside the env file, then we can get by with a single one.

(or is this part of #559)?

gcroci2 commented 2 months ago

Maybe part of this could also be to work with a single env file. The only difference I think is that the docker calls a separate file to install the local package. If there's a way to do this outside the env file, then we can get by with a single one.

(or is this part of #559)?

Yeah I think this is part of #559, we will look into this possibility there