Openbabel installation in streamlit cloud

[Capigol]

Hi there!

I’m writing here since I’m trying to share a streamlit app in the cloud but I can’t successfully install the openbabel package in the streamlit environment. I tried to add it in the packages.txt and also in the environment.yml and it didn’t work in any way.
The app also needs rdkit package which is easily installed by requirements.txt, but openbabel requires conda installation.

This is the link to the app: https://protonation-states.streamlit.app/

GitHub - Capigol/protonation_states

Has anyone been able to install openbabel in the cloud or do you know how to install it? It would be very helpful!

Thanks in advance!

Lucas

[Franky1]

Try this:

requirements.txt

numpy
pandas
Pillow
streamlit
openbabel-wheel
rdkit

…and remove the .yml file…

[Capigol]

Thanks a lot Franky1! Your advice was very helpful.

I just added the requirements.txt that you showed me and and I had a little problem with the libxrender1 package. So I had to add the packages.txt with libxrender1 and it worked great.

Thank you!