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girke-lab / ChemmineOB

OpenBabel wrapper package for R
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Install problems #24

Closed lizzydizzy42 closed 4 years ago

lizzydizzy42 commented 4 years ago

Hello

I've been having trouble installing since updating to R 4.0 and openbabel 3.1.0. ChemmineOB worked great on previous versions. ChemmineR does not seem to have a problem with the new versions.

I changed the library and include paths, and that changed my errors. Now I get one that says

ChemmineOB.cpp:1501:10: fatal error: openbabel/atomclass.h: No such file or directory

include <openbabel/atomclass.h>

I searched for atomclass.h and don't seem to have that file anywhere (I deleted old versions of openbabel but can reinstall if that would solve it.)

Any help is appreciated.

khoran commented 4 years ago

What version of ChemmineOB were you using? If it was the release version (1.26.x), it will not be compatible with OpenBabel 3.x yet. You can download a compatible development version (1.25.2) from here for now.

lizzydizzy42 commented 4 years ago

This worked, thank you for your response!