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mjwen avatar mjwen commented on July 26, 2024

I can do it.

In the previous PR, I did not do it because a lot of tests rely on these. So, I still hope somebody can rewrite the tests before doing this (I am not super familiar with UnitTest and do not want to deal with it).

Also, I will probably make modifications to mol_entry to make the input energy, enthalpy, entropy be of units eV, instead of the present ones. And some other TODOs I left there.

But, if we do not care too much about the current tests and allow it to fail (since we are making huge changes), I can do it right away.

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mjwen avatar mjwen commented on July 26, 2024

Well, looking at the PR I just made, I realize that the tests will definitely fail since MoleculeEntry used to be in pymatgen. So, I guess I will do it right away.

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espottesmith avatar espottesmith commented on July 26, 2024

I'm happy to lead the charge on converting from unittest to pytest. I just want to wait until all of the tests pass before doing so.

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