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issues with installation: IPFitting #68

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physorgchem opened this issue Nov 14, 2023 · 2 comments
Open

issues with installation: IPFitting #68

physorgchem opened this issue Nov 14, 2023 · 2 comments

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@physorgchem
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@juraskov juraskov thanks for the update on the installation! It was much easier to install however, I had a problem with IPFitting.
What is the recommended Julia version? I have tried 1.7.1 and 1.9.3 and both had problems with IPFitting.

`Precompiling project...
? IPFitting
1 dependency successfully precompiled in 15 seconds (169 already precompiled)
1 dependency failed but may be precompilable after restarting julia

DONE! *`
I have tried to manually install IPFitting but could not solve this problem.

Any suggestions? Thanks!

@juraskov
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juraskov commented Nov 16, 2023

Hi, thanks for reporting this. We use Julia 1.6, but the newer versions should work as well. I observe the problems with precompiling IPFitting, too, but the fitting usually works. I recommend testing the water.py example. If it trains without issue, you should be good to go. Let me know in case you have any errors with the test. We are planning to update to the newer version of ACE in the near future, so this will be resolved as well.

@physorgchem
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Thanks @juraskov will try it out!

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