Skip to content

Instantly share code, notes, and snippets.

@baoilleach

baoilleach/rdkit_msvc2012.txt

Last active December 11, 2015 02:38
Show Gist options
  • Save baoilleach/4531502 to your computer and use it in GitHub Desktop.
Save baoilleach/4531502 to your computer and use it in GitHub Desktop.
Download ZIP
RDKit compilation with MSVC 2012
Raw
rdkit_msvc2012.txt
No boost binaries for MSVC 2012 available, so...
Delete all other Python versions other than Python 2.7 (not sure if necessary...)
Unzip Boost 1.49.0 to C:\Boost\boost_1_49_0
cd into it
bootstrap # to create bjam
bjam.exe --with-regex --with-python --with-date_time --with-thread link=shared toolset=msvc-11.0 release install -j4
bjam.exe --with-thread --with-date_time toolset=msvc-11.0 release stage -j4 # Then copy from C:\Boost\boost_1_49_0\stage\lib
set RDBASE=C:\Tools\RDKit\RDKit_2012_09_1
cmake -G "Visual Studio 11" -DBoost_REGEX_LIBRARY_RELEASE=C:\Boost\lib\boost_regex-vc110-mt-1_49.lib -DBoost_PYTHON_LIBRARY_RELEASE=C:\Boost\lib\boost_python-vc110-mt-1_49.lib -DPYTHON_INCLUDE_DIR=C:\Python27\include -DPYTHON_LIBRARY=C:\Python27\libs\python27.lib %RDBASE%
Build the ALL_BUILD and INSTALL (don't forget the latter!)
Before running the tests, set:
set PYTHONPATH=%RDBASE%
set PATH=%RDBASE%\lib;C:\Boost\lib;%PATH%
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment