QuantumATK 2024.09 PyQt5 error

[Anders Blom]

I would imagine you need to "patch" the actual file, not the softlink. So

Code

strip --remove-section=.note.ABI-tag /opt/ohpc/pub/apps/qatk/2024.09/lib/libQt5Core.so.5.15.12

might be worth trying

[aziz.ogutlu]

Same error again:

Code

[root@celestia singularity]# singularity shell --cleanenv --env DISPLAY=$DISPLAY --env XDG_SESSION_ID=$XDG_SESSION_ID --network bridge  --bind /run/munge:/run/munge --bind /opt/ohpc/pub:/opt/ohpc/pub qatk-2024.09-test.sif

Code

Singularity> strip --remove-section=.note.ABI-tag /opt/ohpc/pub/apps/qatk/2024.09/lib/libQt5Core.so.5.15.12

Code

Singularity> quantumatk
Traceback (most recent call last):
  File "/opt/ohpc/pub/apps/qatk/2024.09/bin/../atkpython/bin/quantumatk", line 8, in <module>
    sys.exit(start_quantumatk())
             ^^^^^^^^^^^^^^^^^^
  File "zipdir/ATKExecutables/atkwrappers/__init__.py", line 811, in start_quantumatk
  File "zipdir/NL/__init__.py", line 9, in <module>
  File "zipdir/NL/GUI/Main/Main.py", line 1, in <module>
  File "/opt/ohpc/pub/apps/qatk/2024.09/atkpython/lib/python3.11/site-packages/qtpy/__init__.py", line 259, in <module>
    raise QtBindingsNotFoundError from None
qtpy.QtBindingsNotFoundError: No Qt bindings could be found 

[aziz.ogutlu]

Is there any progress about testing on singularity?

[filipr]

We have not looked into this yet, and it might take quite some time (months+) before it will happen, so if you need an urgent solution I recommend that you look for alternative ways to run QuantumATK. I have filed a ticket in our bug reporting system, so that the issue is not forgotten.