Hi, Try another method listed: http://openbabel.org/wiki/Category:Macintosh
I was able to do it on linux with conda. --David David Weise Linux Systems Admin Penn Medicine Academic Computing Services (PMACS) Richards Medical Labs 3700 Hamilton Walk | Philadelphia, PA 19104 http://www.med.upenn.edu/pmacs/ ________________________________________ From: Beliz Sertcan <beliz.sert...@chem.uzh.ch> Sent: Friday, May 15, 2020 10:13 AM To: openbabel-discuss@lists.sourceforge.net Subject: [Open Babel] installing and importing openbabel Hello, I have a couple of questions about building openbabel on mac os catalina. I cannot install openbabel with pip command and I am using python installed through pip so I don’t want to install openbabel through conda. For openbabel installation, I followed the instructions on the webpage. I downloaded openbabel from sourceforge, the version is 2.0. Then I create build directory and go in there and run the following commands in order: cmake ../ -DPYTHON_EXECUTABLE=/usr/local/bin/python3 -DPYTHON_BINDINGS=ON -DRUN_SWIG=ON make -j8 make install Then I have to run export PYTHONPATH=/usr/local/lib:$PYTHONPATH for python to see openbabel. Unless I run this command I cannot install openbabel. Question1: I run the following commands: import openbabel from openbabel import pybel and I get the error: ImportError: cannot import name 'pybel' from 'openbabel' (unknown location) I think I am missing some flags in cmake, maybe you can help me with this. My python packages are in /usr/local/lib/python3.7/site-packages. What needs to be done to solve this? Question 2: I am using pymatgen and I want to use the module molecule_matcher. I get the following error: RuntimeError: BabelMolAdaptor requires openbabel to be installed with Python bindings. Please get it at http://openbabel.org (version >=3.0.0). Even though openbabel is installed and I can import it, somehow pymatgen fails to see it. I think this problem is also related to question 1. Again, what do I need to do? Thanks in advance, Beliz _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
