Hi,
I'm having issues trying to build RDKt from source with Conda using the
recipe in the RDKit web page. The build is apparently complete but the
ctest only achieves 35% of passed tests. I'm using an Ubuntu 20
workstation.
I first generate a Conda environment with all the required stuff:
conda create --name rdksc python==3.8.1 cmake cairo pillow eigen pkg-config
boost boost-cpp py-boost gxx_linux-64 numpy
After cloning the git repository then I run cmake (following the
instructions):
cmake -DPy_ENABLE_SHARED=1 -DRDK_INSTALL_INTREE=ON
-DRDK_INSTALL_STATIC_LIBS=OFF -DRDK_BUILD_CPP_TESTS=ON
-DPYTHON_NUMPY_INCLUDE_PATH="$(python -c 'import numpy ;
print(numpy.get_include())')" -DBOOST_ROOT="$CONDA_PREFIX" ..
Finally I run make and make install, and the build is complete but with a
series of messages. The ctest gives only a 35% of test passed.
The messages I get in compilation are like these:
In file included from
/home/gonzalo/anaconda3/envs/rdksc/include/boost/bind.hpp:30,
from
/home/gonzalo/anaconda3/envs/rdksc/include/boost/python/exception_translator.hpp:10,
from
/home/gonzalo/anaconda3/envs/rdksc/include/boost/python.hpp:28,
from /home/gonzalo/rdkit/Code/RDBoost/python.h:3,
from
/home/gonzalo/rdkit/Code/ChemicalFeatures/Wrap/FreeChemicalFeature.cpp:12:
/home/gonzalo/anaconda3/envs/rdksc/include/boost/bind.hpp:36:1: note:
#pragma message: The practice of declaring the Bind placeholders (_1, _2,
...) in the global namespace is deprecated. Please use
<boost/bind/bind.hpp> + using namespace boost::placeholders, or define
BOOST_BIND_GLOBAL_PLACEHOLDERS to retain the current behavior.
36 | BOOST_PRAGMA_MESSAGE(
| ^~~~~~~~~~~~~~~~~~~~
I'd really acknowledge any help in getting this fixed and why is this
message showing up.
Thanks a lot in advance
Gonzalo
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