Install via pip/conda broken

[mjclarke94]

The issue referenced in #4989 does more than just break the testing; it prevents the creation of profiles from a clean install.

A hotfix to update the dependencies may be needed in the short term as right now installations via pip and conda are broken.

[bosonie]

@chrisjsewell, @ramirezfranciscof @mbercx. I believe it is critical to have a release as soon as possible. We will soon have an aiida school and people might try out in advance. In here we will also run a siesta school next week and want to present aiida as well. Thank you!

[mjclarke94]

@bosonie This doesn't help for people trying it out on their own unless they happen to find this issue, but for the in person stuff manually downgrading psycopg2 fixes the problem:

pip install psycopg2==2.8.3

The conda installation is a bit more complicated (either due to it being harder or due to me not being all that familiar with anaconda...one of the two). I found just installing the services, then doing everything else via pip worked:

conda create -n aiida -c conda-forge aiida-core.services pip
conda activate aiida
pip install aiida-core psycopg2==2.8.3

[bosonie]

Thanks @mjclarke94, I'm aware of the fix (and not an expert of conda either) and it is good to have it here for reference.
My concern was more about having a hotfix as you have mentioned already. I would like to advertise a product that works and not fails in the setting up.
Also for @chrisjsewell, please be aware that this problem also leads to a fail in the construction of the Quantum Mobile. I had to fix it in the aiida role[1], but having it in aiida directly would be better.
[1] https://github.com/siesta-project/ansible-role-aiida/blob/569f09ab5677d1ef7a17d65a0de06cde4c0a9ae7/defaults/main.yml#L24

[mjclarke94]

@bosonie I figured you might be! You just highlighted to me that I complained about a problem and neglected to mention the actual solution...

[ramirezfranciscof]

Hey @mjclarke94 @bosonie thanks for the heads up on this! Indeed from what you are saying this sounds problematic, sorry we didn't notice this (the problem and/or this issue) before.

If I understand correctly the merged PR referenced in this OP (#4989) solves the problem, we just need to hot fix this into a released version?

[bosonie]

I don't know much about ==, ~= and so on but yes.

[mjclarke94]

Yeah, I think so. My only question would be about pinning to psycopg2-binary~=2.8.3. Given the issues seem to have emerged with the release of 2.9.x, is there any reason the version restriction couldn't be:

psycopg2-binary~=2.8.6,<2.9

on the off chance that some bug in2.8.3-2.8.5 will pop up.

[bosonie]

Agree with @mjclarke94 !

[ramirezfranciscof]

I'm also not an expert on the requirements syntax, but from what I could understand from the PEP that the pip installer is following, psycopg2-binary~=2.8.3 only sets 2.8.3 as the minimum but then will add any other fix 2.8.x on that minor version if available. I will confirm but this is what you want and what you understand from that source too?

[bosonie]

Ah ok. Then it is exactly what we need! Therefore a release will be enough!

[chrisjsewell]

Guys, don’t worry I’m going to make a release now

[mjclarke94]

@ramirezfranciscof Ah, right you are.