Use QEApp in a normal Jupyter-lab environment without container
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superstar54 commented
It would be great if one could use QEApp directly in a normal Jupyter-lab environment. Idealy, if a user has AiiDA and Jupyter installed, then they can use QEApp in two steps:
Step 1
pip install aidialab-qe
verdi daemon restart
Step 2
from aiida import load_profile
load_profile();
from aiidalab_qe.app import App, static
app = App(qe_auto_setup=True)
app
My test
Create a new environment:
conda create --name aiidalab-qe python==3.10.0
Set up the profile and a localhost
computer.
It works!
To do
- publish it to PyPI
- check the compatibility with different Jupyterlab version
- add
localhost
computer before setting up codes.