search

bp-kelley / descriptastorus

Descriptor computation(chemistry) and (optional) storage for machine learning
Other
220 stars 62 forks source link

Errors met when installing rdkit in requirement.txt #30

Open zoey-shan opened 3 months ago

zoey-shan commented 3 months ago

Thank you for sharing your amazing work.

While running the command pip install git+https://github.com/bp-kelley/descriptastorus, I met errors: ERROR: Could not find a version that satisfies the requirement rdkit (from versions: none) ERROR: No matching distribution found for rdkit Such errors also rose when I ran the command pip install rdkit>=2022.3.3 (following requirement.txt) But rdkit>=2022.3.3 could be successfully installed when running pip install rdkit_pypi>=2022.3.3 Maybe requirements.txt needs to be modified

bp-kelley commented 3 months ago

rdkit_pypi isn't supported anymore, it was moved to just "rdkit", in fact this is noted in the rdkit-pypi repo:

https://pypi.org/project/rdkit-pypi/

NOTE: Older versions of RDKit might be available at the [rdkit-pypi](https://pypi.org/project/rdkit-pypi/) PyPI repository (pip install rdkit-pypi). rdkit-pypi is the old name of this project at PyPI. Future RDKit versions will be available at the rdkit PyPI repository. Please update your dependencies, i.e., change rdkit-pypi to rdkit.

What are you trying to install rdkit on? Might it be an older version of OSX?