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>
*Sent:* January 24, 2019 13:44
*To:* 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
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