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tovrstra avatar tovrstra commented on July 3, 2024

I would recommend to just download version 2.1.1, instead of the last commit from the git repository. The master branch contains a lot of experimental changes, which are non-trivial to get to work.

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panchajaviera avatar panchajaviera commented on July 3, 2024

That's the version I downloaded from here: https://theochem.github.io/horton/2.1.1/user_download_and_install_linux.html

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tovrstra avatar tovrstra commented on July 3, 2024

OK. I misinterpreted some of the output you pasted. Could your run the following and then try to install and run the tests again? There seem to be some leftovers in these files that are reminiscent to the code on the master branch.

# Starting from the source tree where you unpacked the horton release:
cd data/refatoms
rm *.h5
make
cd ../..

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tovrstra avatar tovrstra commented on July 3, 2024

@panchajaviera I found the cause of this problem. I made a small mistake in the release process. The 2.1.1 tar file contained an error and it is now replaced by a new one. Can you try the installation from scratch, i.e. after removing your old horton files and downloading the new tar file?

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panchajaviera avatar panchajaviera commented on July 3, 2024

@tovrstra I re-installed everything from scratch and now, after running nosetests it says "OK".
So, thank you for the help!

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tovrstra avatar tovrstra commented on July 3, 2024

You're welcome!

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