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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
32 stars 12 forks source link

build: simplify docker installation and improve the manual one #615

Closed gcroci2 closed 2 months ago

gcroci2 commented 2 months ago

So, I am looking at the install instructions now. We are basically asking people to clone the entire (fairly large) repo only to access the environment yml file and then pip install it from elsewhere. Given that we anyway have the installation commands copy/pastable, would it perhaps make sense to have a command to download just that one file instead? Or is it even possible to create the env from the online file?

Not sure if it's worthwhile changing, just noticed this and thought I'd mention it :)

Very good point! I changed them in https://github.com/DeepRank/deeprank2/pull/615/commits/d424a26d62dc21513297ac9ae2306fba4b4d7bfd, let me know if you like it better now :)

DaniBodor commented 2 months ago

So, I am looking at the install instructions now. We are basically asking people to clone the entire (fairly large) repo only to access the environment yml file and then pip install it from elsewhere. Given that we anyway have the installation commands copy/pastable, would it perhaps make sense to have a command to download just that one file instead? Or is it even possible to create the env from the online file? Not sure if it's worthwhile changing, just noticed this and thought I'd mention it :)

Very good point! I changed them in d424a26, let me know if you like it better now :)

Nice! I guess the other thing is that if it wasn't cloned, the tests won't work, so the testing part should maybe be deleted or adjusted as well?

Also, requirements-docker.txt can be removed from the bumpversion config file.

gcroci2 commented 2 months ago

Nice! I guess the other thing is that if it wasn't cloned, the tests won't work, so the testing part should maybe be deleted or adjusted as well?

I removed the ref in that part, thanks :)

Also, requirements-docker.txt can be removed from the bumpversion config file.

Good catch, removed!