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UnixJunkie avatar UnixJunkie commented on July 24, 2024

Try adding --HEAD to the CLI options.

brew install --HEAD rdkit --with-python3 --with-inchi --without-numpy 

Copy-paste the error, if any remains.

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UnixJunkie avatar UnixJunkie commented on July 24, 2024

Maybe also, try removing the --without-numpy if problem persists.

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olgOk avatar olgOk commented on July 24, 2024

I have the same issue, e.g. the same error occurs. Neither options described above could help me to resolve the problem. Could you suggest something else?

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UnixJunkie avatar UnixJunkie commented on July 24, 2024

Nuke the whole brew install on your computer.
Reinstall it from scratch then try to install rdkit again.
brew has bad reproducibility of builds (yes, it is a bad package manager).
If that doesn't work, try to install rdkit using the conda recipe:
https://www.rdkit.org/docs/Install.html#cross-platform-under-anaconda-python-fastest-install
This is the recommended install procedure, I just hate to be forced to use conda though.

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olgOk avatar olgOk commented on July 24, 2024

Thanks! Used conda force to install. However, I had to create a separate env for the rdkit specifically.

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UnixJunkie avatar UnixJunkie commented on July 24, 2024

Yeah, I am not surprised. Conda also is seriously lacking, and not even available as a standard system-wide package on most Linux distributions...

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