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aiidateam / aiida-wannier90-workflows

A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
http://aiida-wannier90-workflows.readthedocs.io/
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No load_profile in example run_automated_wannier.py #13

Closed ahzeeshan closed 3 years ago

ahzeeshan commented 3 years ago

The example run_automated_wannier.py does not have a load_profile and gives the error with current aiida version. aiida.common.exceptions.ConfigurationError: Could not determine the current profile. Consider loading a profile usingaiida.load_profile().

qiaojunfeng commented 3 years ago

Hi Zeeshan, the shebang of the run_automated_wannier.py is https://github.com/aiidateam/aiida-wannier90-workflows/blob/ef4959799cca1dd1b7fe09cb408ab747134c175d/examples/workflows/run_automated_wannier.py#L1 runaiida will automatically load the current profile. When you replace the shebang with something like /usr/bin/env python, you need to manually aiida.load_profile(). Could you check the shebang in your script? Thanks.

ahzeeshan commented 3 years ago

Hi @qiaojunfeng Thanks. I was running python run_automated_wannier.py instead of ./run_automated_wannier.py which was causing the problem.