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MolecularAI / aizynthfinder

A tool for retrosynthetic planning
https://molecularai.github.io/aizynthfinder/
MIT License
583 stars 134 forks source link

Numpy 2.0 and GUI #163

Closed vfscalfani closed 2 months ago

vfscalfani commented 2 months ago

Hi, I'm using conda-forge and creating the conda environment as follows:

conda create -c conda-forge "python>=3.9,<3.11" -n aizynth-env

now install numpy 2.0 and the GUI fails to load. Specifying numpy < 2.0, such as below, seems to work okay for me, and the AiZynthFInder GUI works:

conda create -n aizynth-env -c conda-forge "python>=3.9,<3.11" "numpy<2.0" pip

I'm happy to do the PR for the readme if that is helpful.

Also, perhaps the development env should also change to add numpy < 2.0?

Thanks,

Vin

vfscalfani commented 2 months ago

oops, the issue was that I had a typo in my python version (3.8), I tried again as per the current README with python>=3.9,<3.11, and all is working. I will close this. thanks.