Closed danielhollas closed 1 year ago
Will update numpy to 1.21
manually solve the problem?
One problem might be that numpy is installed via conda from conda-forge
(I guess as part of AiiDA dependencies) while pymatgen gets installed via pip in my case. Reinstalling numpy via pip seems to solve the issue.
pip install -U numpy
Thanks for checking, @danielhollas.
aiida-core pinned the numpy
version to 1.19
. I think that's is the cause of the issue when installing the pymatgen
from aiida-core[atomic_tools]
. Could you open an issue to the aiida-core
? Bumping the numpy
version solve the issue, but may bring other problem to other dependencies.
@unkcpz I just noticed this line in the setup.cfg in the aiidalab-qe repo
numpy~=1.23 # pined for pymatgen
I guess that above error might be the reason for this?
This no more an issue after we clear the dependencies of the AWB. The issue happened since the numpy version installed from app is different from the one by docker stack (1.23
).
Try installing
aiida-core[atomic_tools]
in the newaiidalab/full-stack
(that's what happens when I install
aiida-orca
plugin as a dependency in my AiiDAlab app).Then try the following import (taken from AWB)