"lobsterpy automatic-plot-ia --label-resolved" stopped working

[jageo]

"lobsterpy automatic-plot-ia --label-resolved" stopped working

[JaGeo]

I ran it in "TestData/NaSbF6"

and get AttributeError: 'tuple' object has no attribute 'atoms'

[naik-aakash]

I ran it in "TestData/NaSbF6"

and get AttributeError: 'tuple' object has no attribute 'atoms'

Seems it could probably stem from pymatgen ?

[JaGeo]

Now, with the latest pymatgen, it works. I think a fix would be to require a newer pymatgen version.

[JaGeo]

I have updated the pymatgen version number for now and we have to make sure we keep this updated in the future.

[naik-aakash]

Can you post the error please ? For my local repo with current master branch it works

[naik-aakash]

This is strange. It works fine for me without error. I just checked for both cation-anion andall bonds mode

[JaGeo]

I will make a fresh environment and then see.

[JaGeo]

But we need a test to make sure it doesn't break again. ;)

[naik-aakash]

But we need a test to make sure it doesn't break again. ;)

I do not know tbh, what kind of test will need to be written for such a case. Any ideas ?

[JaGeo]

Do we test the label-resolved plotter? You could simply test if you can execute the command with the testfolder I mentioned above.

[naik-aakash]

Do we test the label-resolved plotter? You could simply test if you can execute the command with the testfolder I mentioned above.

Yes, we do that test. Just not in CLI, but normal Python interface. If it does not work, it will get caught in there if something is wrong with pymatgen version

[JaGeo]

I used a fresh environment and installed LobsterPy. Then an older pymatgen version was installed and it failed. Our test should then be failing as well, shouldn't it?

[naik-aakash]

I used a fresh environment and installed LobsterPy. Then an older pymatgen version was installed and it failed. Our test should then be failing as well, shouldn't it?

Yes it should fail definitely. Will see what's happening