MolBERT
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pip install does not include utils/data directory
Description
The project does not include a MANIFEST.in file, which causes pip install .
to not include the utils/data/elements.txt
in the install directory.
This causes an FileNotFoundError: [Errno 2] File /opt/conda/envs/api/lib/python3.7/site-packages/molbert/utils/featurizer/../data/elements.txt does not exist: '/opt/conda/envs/api/lib/python3.7/site-packages/molbert/utils/featurizer/../data/elements.txt'
error when using the MolBertFeaturizer
.
Solution
Add a MANIFEST.in file with the following entry:
recursive-include molbert/utils/data *