Hi,
I have just built the current snapshot of RDKit from the git repo on a
MacBook Pro with the latest macOS (Catalina 10.15.3). I used the conda
build recipe from
https://github.com/rdkit/rdkit/blob/master/Docs/Book/Install.md#how-to-build-from-source-with-conda
:
conda create -n rdkit-dev-build python=3.6 -c rdkit
conda activate rdkit-dev-build
conda install numpy matplotlib cmake cairo pillow eigen pkg-config
boost-cpp boost py-boost
pip install yapf==0.11.1 coverage==3.7.1
export PYROOT=/Users/david/anaconda3/envs/rdkit-dev-build
cmake -DPYTHON_INCLUDE_DIR=$PYROOT/include/python3.6m \
-DRDK_BUILD_AVALON_SUPPORT=ON \
-DRDK_BUILD_CAIRO_SUPPORT=ON \
-DRDK_BUILD_INCHI_SUPPORT=ON \
..
make
make install
If run python in the build directory, I can import the python modules, but
not from another directory. How do I add the rdkit libraries to my conda
environment so that they can be seen from anywhere, just like the
production env I installed directly from conda?
I have tried pointing PYTHONPATH and sys.path (separately) at the build
directory, and build/lib, but to no avail. In both cases I get the error:
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
File "/Users/david/Projects/RDKit/rdkit/rdkit/__init__.py", line 2, in
<module>
from .rdBase import rdkitVersion as __version__
ImportError: dlopen(/Users/david/Projects/RDKit/rdkit/rdkit/rdBase.so, 2):
Library not loaded: @rpath/libRDKitRDBoost.1.dylib
Referenced from: /Users/david/Projects/RDKit/rdkit/rdkit/rdBase.so
Reason: image not found
which looks like it is almost working.
Thanks,
Dave
--
David Cosgrove
Freelance computational chemistry and chemoinformatics developer
http://cozchemix.co.uk
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