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rdkit / homebrew-rdkit

Homebrew formula for rdkit
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RDKIt PostgreSQL cartrdige via brew #99

Closed cap-jmk closed 3 years ago

cap-jmk commented 3 years ago

Hey,

I encountered an error during the installation on Catalina 10.15.7.

Error: An exception occurred within a child process: Errno::ENOENT: No such file or directory @ rb_file_s_rename - (Code/PgSQL/rdkit/rdkit.sql91.in, Code/PgSQL/rdkit/rdkit--3.4.sql)

Do you know how to fix it?

Thanks :)

UnixJunkie commented 3 years ago

How did you install (which commands exactly)?

cap-jmk commented 3 years ago

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

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

UnixJunkie commented 3 years ago

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
cap-jmk commented 3 years ago

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

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

UnixJunkie commented 3 years ago

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

cap-jmk commented 3 years ago

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.

UnixJunkie commented 3 years ago

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.

UnixJunkie commented 3 years ago

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