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anthony-wang / BestPractices

Things that you should (and should not) do in your Materials Informatics research.
https://doi.org/10.1021/acs.chemmater.0c01907
MIT License
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Case sensitivity of CBFV on Linux/WSL #13

Open janash opened 1 year ago

janash commented 1 year ago

On WSL, a problem is encountered in notebook 3 when running this line of code:

X_train_unscaled, y_train, formulae_train, skipped_train = generate_features(df_train_sampled, elem_prop='oliynyk', drop_duplicates=False, extend_features=True, sum_feat=True)

My error message is the following:

FileNotFoundError: [Errno 2] File /home/janash/projects/materials-project-bp/notebooks/cbfv/element_properties/oliynyk.csv does not exist: '/home/janash/projects/materials-project-bp/notebooks/cbfv/element_properties/oliynyk.csv'

I've concluded that it has to do with case sensitivity of the path. In the repository, the folder is titled uppercase CBFV, while the path in the error message above is lowercase cbfv. If I change the folder name to lowercase, I am able to run the line of code without an error. This does require changing the imports though (ie from CBFV.cbfv.composition import generate_features becomes from cbfv.cbfv.composition import generate_features).

I've checked this on Windows and the case sensitivity is not an issue on that OS.