Remove the dependence on vise.yaml in make_efnv_correction

[goodwilling]

I am very interested in pydefect and I make some tests following the implementation in test_kumagai as in pymatgen.analysis.defects:
https://github.com/materialsproject/pymatgen-analysis-defects/blob/main/tests/test_corrections.py
(the test_kumagai part is presently commented out)

Unfortunately, my tests are always running forever and never end. If terminated forcibly, the process will return a message with vise.yaml not found, and also other messages regarding the defaults.

In my case, I make my own script to construct CalcResult, not from VASP output. If structure, charge, dielectric tensors, and atom-site potentials are available, it is desired that vise.yaml is not necessary anymore. Thank you very much.

*vise and pydefect are installed before my tests.

pip install vise
pip install pydefect

[goodwilling]

To be more specific, the above problem can be simply described as an importing problem. The importing of make_efnv_correction just hangs and never ends.

[yuuukuma]

Thank you for contacting me.
I will try not to import vise in the make_efnv_correction.py file.

[yuuukuma]

Unfortunately, DefaultsBase cannot be removed for the command line tools.

[yuuukuma]

I upgrade pydefect to 0.9.4. Please try it.

[goodwilling]

Thank you for your quick response.

In my case, I do not have vise.yaml and pydefect.yaml used for VASP calculations.
Therefore, I still cannot get make_efnv_correction imported in pydefect 0.9.4.

For my purpose, I make the following naive modification in pydefect/defaults.py:

#from vise.defaults import DefaultsBase

@singleton
class Defaults(): #(DefaultsBase):
...

 #self.set_user_settings(yaml_filename="pydefect.yaml")

...

With the above change my python script runs and give expected results.
The results (correction energy of charged defects) by extended FNV
agree very well with those by FNV.

As you commented out, the above change will not be good for pydefect as a whole.
I will keep this in mind in later tests. Thank you very much.