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t-young31 avatar t-young31 commented on June 11, 2024

Hi @FloRuepp

This is interesting... I just briefly was trying to replicate this and I got stuck at Python 3.7.4 not being available on anaconda, which perhaps suggests that version of python has some kind of problem(?)

The default way I install python then autodE on a new system is to use miniforge with something like

wget https://github.com/conda-forge/miniforge/releases/latest/download/Miniforge3-Linux-x86_64.sh
bash Miniforge3-Linux-x86_64.sh

(selecting all the defaults and letting it initialise, then just conda install autode)

Let me know if that works! 😄

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FloRuepp avatar FloRuepp commented on June 11, 2024

Dear Tom,
since I am just freshly starting a new project, I had no issue just switching to python 3.8.5 and re-installing all the packages, which seemst to have instantly fixed the problem. Curious...
Thanks for your help,
Flo

from autode.

t-young31 avatar t-young31 commented on June 11, 2024

Awesome – no problem at all

from autode.

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