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UnixJunkie avatar UnixJunkie commented on July 24, 2024

How did you install (which commands exactly)?

from homebrew-rdkit.

cap-jmk avatar cap-jmk commented on July 24, 2024

Thank you for your answer. I installed RDKit with tho following commands:

brew install rdkit --with-inchi --with-avalon --with-postgresql

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UnixJunkie avatar UnixJunkie commented on July 24, 2024

I really have no idea.
You should ask on the rdkit users mailing-list.
You can try this but there is not any guarantee that it will work:

brew install --HEAD rdkit --with-inchi --with-avalon --with-postgresql

from homebrew-rdkit.

cap-jmk avatar cap-jmk commented on July 24, 2024

brew install --HEAD rdkit --with-inchi --with-avalon --with-postgresql

Thank you for your reply. The --HEAD option did not produce any different result.

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UnixJunkie avatar UnixJunkie commented on July 24, 2024

You can try the conda install recipe from rdkit.
This is the official default install method.
Or, ask on the mailing list.

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cap-jmk avatar cap-jmk commented on July 24, 2024

Thanks, I will try. However, I hoped to integrate it into my existing environment. Is there any possibility of just releasing the pg-extension? It would make life easier.

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UnixJunkie avatar UnixJunkie commented on July 24, 2024

I don't use PGSQL, ask what you need on the rdkit mailing list.
I don't want to deal with things that I don't use personally and have no way to test.

from homebrew-rdkit.

UnixJunkie avatar UnixJunkie commented on July 24, 2024

Maybe you can give a try at the new rdkit formula in brew master repository.
They turn on PGSQL by default.

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