CambridgeMolecularEngineering / chemdataextractor2

ChemDataExtractor Version 2.0
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Dependency issue (numpy & sklearn) #29

Open matildaminerva opened 1 year ago

matildaminerva commented 1 year ago

Dear all,

I installed ChemDataExtractor2 with plain "pip install chemdataextractor2" (pip version 23.0.1). The numpy version automatically installed was 1.24.2 and the sklearn 0.22.1. However, in sklearn/linear_model/_least_angle.py -file some older version numpy style is used, for example. np.float and np.int, which in version 1.24.2 numpy are just float and int.

I was able to resolve this just by manually changing all np.int and np.float to plain int and float in the _least_angle.py-file, but just thought to let you know that there exists this kind of an issue.

rccc commented 1 year ago

I confirm that after i had to download hundreds versions of Flask, boto3 and botocore, i got this error:

module 'numpy' has no attribute 'int'. np.int was a deprecated alias for the builtin int.

I had to edit /usr/local/lib/python3.8/site-packages/sklearn/feature_extraction/image.py to make the "cde data where" command to work.

This would not happened with a docker image. We could just build it and run it.