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Installation of the new AIMNet2 fails #40

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Honza-R opened this issue Sep 24, 2024 · 1 comment
Open

Installation of the new AIMNet2 fails #40

Honza-R opened this issue Sep 24, 2024 · 1 comment

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@Honza-R
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Honza-R commented Sep 24, 2024

I'm not able to install the new version of AIMNet2 (branch main) using the commands provided in the README. I'm using up-to date
conda (24.7.1).

The dependencies install well (although installing ase leads to downgrade of blas), and it is the last step, python setup.py install which fails. First, it prints multiple warnings about being deprecated, and later ends with an error.

I'm attaching the complete output from the installation, starting from a fresh, empty conda environment:
install.log

@Honza-R
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Honza-R commented Sep 25, 2024

I got it working, likely by reinstalling numba after installing all the other packages. I tried other things in the meantime as well, so I'm not sure it was the only thing needed. A reproducible installation procedure is still needed.

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