Support AiiDA core 2.0

[ltalirz]

Given that aiida-dynamic-workflows is already based on the aiida-core develop branch, I'm finding myself in need of an AiiDAlab environment that supports AiiDA 2.0.

I'll have a quick stab at updating the Dockerfile and will be pushing this to a separate aiida-2 branch.
We can use this issue to keep track of other packages that need updating

• Dependencies: Loosen aiida-core requirement aiidalab-widgets-base#297
• relax constraints for aiida-2.0 aiidalab#269
• relax constraints for aiida-2.0 aiidalab-eln#34
• Do not run reentry scan after app installation aiidalab#301
• Aiida 2.0 aiidalab-home#102
• Implement AiiDAlab based on an official Jupyter image #259
• Ensure that automated migration from AiiDA 1.x profile is supported.
• Deploy docker image that supports AiiDA 2.0 on Kubernetes #283

Follow-up item after completion: aiidalab/aiidalab-launch#119

Edited by @csadorf.

[csadorf]

@ltalirz Thanks for taking the initiative. I am going to assign you for now since you already started working on this, but please feel free to tab me in for any of these tasks.

[ltalirz]

cheers; the aiida-2 branch now exists and I'm using it #241
Feel free to use this branch as well and make further updates/improvements

I think you can move ahead with merging aiidalab/aiidalab#269 and aiidalab/aiidalab-eln#34

[csadorf]

Note: This effort is currently blocked, because the latest aiidateam/aiida-core image is based on the latest aiidateam/prerequisites images that use a newer PostgreSQL version which – without migration – will break existing user installations.

See also: #25

[ltalirz]

If you feel that this is the main issue holding you back and migration is too difficult, you can also downgrade postgres (the main reason for the postgres upgrade was to upgrade the OS).

However, if you do migrate, and postgres upgrades are so disruptive, then perhaps consider going to ubuntu 22.04 and postgres 14.

[csadorf]

If you feel that this is the main issue holding you back and migration is too difficult, you can also downgrade postgres (the main reason for the postgres upgrade was to upgrade the OS).

Yes, thank you for the suggestion. We have already decided (in today's dev meeting) to downgrade and slightly postpone the migration to unblock this issue.

[unkcpz]

After this is done, I think most apps in app store would incompatible since they are specifically set to dependent on aiida-core~=1.0. We need to disallow the user to install the old versions of these apps until they have aiida-core 2.0 supported.

[csadorf]

After this is done, I think most apps in app store would incompatible since they are specifically set to dependent on aiida-core~=1.0. We need to disallow the user to install the old versions of these apps until they have aiida-core 2.0 supported.

@unkcpz We could modify the is_comaptible() function too look at the constraints instead of the current environment.

[unkcpz]

@unkcpz We could modify the is_comaptible() function too look at the constraints instead of the current environment.

I open an issue for the compatible check in aiidalab aiidalab/aiidalab#318. So this issue can be closed I think.