François Bérenger
François Bérenger
``` # java --version openjdk 12.0.2 2019-07-16 OpenJDK Runtime Environment (build 12.0.2+10) OpenJDK 64-Bit Server VM (build 12.0.2+10, mixed mode, sharing) ```
``` # brew list swig /usr/local/Cellar/swig/4.0.1/ ``` Maybe the SWIG version is the problem?
Tim Dudgeon uses those cmake lines on Linux: ``` RUN cmake -Wno-dev\ -DPYTHON_EXECUTABLE=/usr/bin/python3\ -DRDK_INSTALL_INTREE=OFF\ -DRDK_BUILD_INCHI_SUPPORT=ON\ -DRDK_BUILD_AVALON_SUPPORT=ON\ -DRDK_BUILD_PYTHON_WRAPPERS=ON\ -DRDK_BUILD_SWIG_WRAPPERS=ON\ -DRDK_BUILD_PGSQL=ON\ -DPostgreSQL_ROOT=/usr/lib/postgresql/$POSTGRES_VERSION\ -DPostgreSQL_TYPE_INCLUDE_DIR=/usr/include/postgresql/$POSTGRES_VERSION/server\ -DCMAKE_INSTALL_PREFIX=/usr\ -DCPACK_PACKAGE_RELOCATABLE=OFF ```
@tdudgeon @xrfinbupt you should ask the rdkit mailing list or open an issue in rdkit https://github.com/rdkit/rdkit/issues
No CI tests underway?!
related to https://github.com/rdkit/homebrew-rdkit/issues/72
'--with-python3' means that you want the Python wrappers to be built. You could build rdkit without its Python wrappers.
I should simplify this even further. I should exemplify the two cases also: - you want pip3 to manage numpy - you want brew to manage numpy
And so, how should we fix this?
Also, does this break something? I just use rdkit from Python and it looks like it is working even if I use this brew installer.