Hi, Thank you for the suggestion, but I have already setup the path with following line before cmake ..
export RDBASE=/opt/RDKit_20XX_XX_X export LD_LIBRARY_PATH=$RDBASE/lib:$LD_LIBRARY_PATH export PYTHONPATH=$RDBASE:$PYTHONPATH Xuan ________________________________ From: Paolo Tosco <paolo.tosco.m...@gmail.com> Sent: January 24, 2019 14:04 To: rdkit-discuss@lists.sourceforge.net Subject: Re: [Rdkit-discuss] ctest failed while trying to build the rdkit from source Hi Xuan, try to export RDBASE=/absolute/path/to/rdkit export PYTHONPATH=$RDBASE export LD_LIBRARY_PATH=$RDBASE/lib:$LD_LIBRARY_PATH then re-run ctest. Cheers, p. On 01/24/19 20:48, Xuan Cao wrote: Sorry, forgot to attach the file ________________________________ From: Xuan Cao <danis....@hotmail.com><mailto:danis....@hotmail.com> Sent: January 24, 2019 13:44 To: rdkit-discuss@lists.sourceforge.net<mailto:rdkit-discuss@lists.sourceforge.net> Subject: [Rdkit-discuss] ctest failed while trying to build the rdkit from source Hi, I am trying to build the rdkit from source on a fresh new ubuntu18.04 virutal machine with virtual box (I did sudo apt update; sudo apt upgrade; etc.). I successfully executed "sudo cmake ..", "sudo make", "sudo make install" commands, but the sudo ctest gave me only 29% tests passed (I attached file with failed test). Then I tried the c++ example from rdkit/Docs/Book/. When I compile the code with "#include <GraphMol/GraphMol.h>", the system couldn't find the the header file: GraphMol/GraphMol.h. I also tried to directly import rdkit by executing "from rdkit import Chem" from python script, but it complain about no module named "rdkit". I know that conda install works (I can import rdkit with conda), but I want to use rdkit functionalities without any virtual environment, so I choose to build from source. Is there any suggestion that can help to use rdkit from source without any virtualenv (python or cpp)? Any help appreciated! Thanks! Xuan _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net<mailto:Rdkit-discuss@lists.sourceforge.net> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
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