Re: [Rdkit-discuss] Building RDKit on Windows

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Dear RDKit Community,
Dear Paolo,

I have now managed to build the RDKit on a fresh Windows environment.
I was unable to do so before due to the following issue:
According to https://gitlab.kitware.com/cmake/cmake/issues/16391 the python suffixes for Boost have changed since 1.67. I tried to build with the 1.68 but always got a...

Could not find the following Boost libraries:

          boost_python

The solution was to use a boost version below 1.67, then the build works.

Thanks for considering this solution, and thanks again for your support and the awesome RDKit!

Cheers,
Roman

Von: Roman Bolzern
Gesendet: Mittwoch, 29. August 2018 07:24
An: 'Paolo Tosco' <pao...@gm...>; Rdk...@li...
Betreff: AW: [Rdkit-discuss] Building RDKit on Windows

Hi Paolo

Thanks a lot! I tried building using your libraries, but unfortunately I still have the same issue.. I know they work for you so now I triple checked every detail: environment variables are set, and I built with -DBOOST_LIBRARYDIR=C:/boost/lib and without. And according to CMakeLists.txt it should be able to find both of boost_pythons (in your build as well as in my installed build)...
I'm not experienced with cmake building so maybe it's a beginner mistake?

Below again the command I currently trust the most (along with environment variables BOOST_ROOT, BOOST_LIBRARYDIR and the boost library dir set in PATH):

Thank you for your time!
Roman

C:\RDKit\build>cmake -DRDK_BUILD_PYTHON_WRAPPERS=ON -DBOOST_ROOT=C:/boost -DBOOST_LIBRARYDIR=C:/boost/lib -DRDK_BUILD_INCHI_SUPPORT=ON -DRDK_BUILD_AVALON_SUPPORT=ON -DRDK_BUILD_PGSQL=ON -G"Visual Studio 15 2017 Win64" ..
-- Could NOT find InChI in system locations (missing: INCHI_LIBRARY INCHI_INCLUDE_DIR)
CUSTOM_INCHI_PATH = C:/RDKit/External/INCHI-API
-- Found InChI software locally
CMake Warning at C:/Program Files/CMake/share/cmake-3.12/Modules/FindBoost.cmake:1723 (message):
  No header defined for python-py36; skipping header check
Call Stack (most recent call first):
  CMakeLists.txt:191 (find_package)

CMake Error at C:/Program Files/CMake/share/cmake-3.12/Modules/FindBoost.cmake:2044 (message):
  Unable to find the requested Boost libraries.

  Boost version: 1.68.0

  Boost include path: C:/boost

  Could not find the following Boost libraries:

          boost_python

  No Boost libraries were found.  You may need to set BOOST_LIBRARYDIR to the
  directory containing Boost libraries or BOOST_ROOT to the location of
  Boost.
...

Von: Paolo Tosco <pao...@gm...<mailto:pao...@gm...>>
Gesendet: Dienstag, 28. August 2018 20:32
An: Roman Bolzern <Rom...@ch...<mailto:Rom...@ch...>>; Rdk...@li...<mailto:Rdk...@li...>
Betreff: Re: [Rdkit-discuss] Building RDKit on Windows

Hi Roman,

I have a pre-built version of Boost 1.64 for Windows/Python 3.6 built using VS2017. I always use it to build my own copy of the RDKit and I know it works fine.

You may find it here:

https://www.dropbox.com/s/xqzv71r2lllhww1/boost_py36-vc152-mt-1_64.zip?dl=0
HTH, cheers,
p.
On 28/08/2018 13:52, Roman Bolzern wrote:
Dear RDKit community,

I'm trying to build RDKit on Windows, yet Cmake is unable to find boost_python. It finds "serialization" though, and the path "C:\boost\libs\python" exists. Also, I've replaced all boost versions in CMakeLists.txt with my installed version of boost (1.56.0 -> 1.68.0). As the code in CMakeLists.txt seems to me as if it searches for "python3" and not just "python", I tried to rename the folder in boost to "python3", but it still doesn't find boost_python.
The boost library was installed by downloading the exe from SourceForge.

I pasted the full console output below for reference.

What should I try next?

Thank you and kind regards,
Roman

C:\RDKit\build>cmake -DRDK_BUILD_PYTHON_WRAPPERS=ON -DBOOST_ROOT=C:/boost -DBOOST_LIBRARYDIR=C:/boost/libs -DRDK_BOOST_PYTHON3_NAME="python" -DRDK_BUILD_INCHI_SUPPORT=ON -DRDK_BUILD_AVALON_SUPPORT=ON -DRDK_BUILD_PGSQL=ON -G"Visual Studio 15 2017 Win64" ..
-- Could NOT find InChI in system locations (missing: INCHI_LIBRARY INCHI_INCLUDE_DIR)
CUSTOM_INCHI_PATH = C:/RDKit/External/INCHI-API
-- Found InChI software locally
CMake Warning at C:/Program Files/CMake/share/cmake-3.12/Modules/FindBoost.cmake:1723 (message):
  No header defined for python-py36; skipping header check
Call Stack (most recent call first):
  CMakeLists.txt:191 (find_package)

CMake Error at C:/Program Files/CMake/share/cmake-3.12/Modules/FindBoost.cmake:2044 (message):
  Unable to find the requested Boost libraries.

  Boost version: 1.68.0

  Boost include path: C:/boost

  Could not find the following Boost libraries:

          boost_python

  No Boost libraries were found.  You may need to set BOOST_LIBRARYDIR to the
  directory containing Boost libraries or BOOST_ROOT to the location of
  Boost.
Call Stack (most recent call first):
  CMakeLists.txt:198 (find_package)

-- Could NOT find Eigen3 (missing: EIGEN3_INCLUDE_DIR EIGEN3_VERSION_OK) (Required is at least version "2.91.0")
Eigen3 not found, disabling the Descriptors3D build.
-- Boost version: 1.68.0
-- Found the following Boost libraries:
--   serialization
CMake Warning (dev) at CMakeLists.txt:317 (find_package):
  Policy CMP0074 is not set: find_package uses PackageName_ROOT variables.
  Run "cmake --help-policy CMP0074" for policy details.  Use the cmake_policy
  command to set the policy and suppress this warning.

  CMake variable PostgreSQL_ROOT is set to:

    C:\Program Files\PostgreSQL\10

  Environment variable PostgreSQL_ROOT is set to:

    C:\Program Files\PostgreSQL\10

  For compatibility, CMake is ignoring the variable.
This warning is for project developers.  Use -Wno-dev to suppress it.

== Using strict rotor definition
-- Found MAEParser source in C:/RDKit/External/CoordGen/maeparser
-- Found coordgenlibs source in C:/RDKit/External/CoordGen/coordgenlibs
== Updating Filters.cpp from pains file
== Done updating pains files
-- Found RapidJSON source in C:/RDKit/External
CMake Warning (dev) at Code/PgSQL/rdkit/CMakeLists.txt:11 (find_package):
  Policy CMP0074 is not set: find_package uses PackageName_ROOT variables.
  Run "cmake --help-policy CMP0074" for policy details.  Use the cmake_policy
  command to set the policy and suppress this warning.

  CMake variable PostgreSQL_ROOT is set to:

    C:\Program Files\PostgreSQL\10

  Environment variable PostgreSQL_ROOT is set to:

    C:\Program Files\PostgreSQL\10

  For compatibility, CMake is ignoring the variable.
This warning is for project developers.  Use -Wno-dev to suppress it.

postgres: C:/Program Files/PostgreSQL/10/include;C:/Program Files/PostgreSQL/10/include/server

=====================================================================
After building, check
C:/RDKit/build/Code/PgSQL/rdkit/pgsql_install.bat
for correctness of installation paths. If everything is OK, gain
administrator privileges, stop the PostgreSQL service, run
C:/RDKit/build/Code/PgSQL/rdkit/pgsql_install.bat
to install the PostgreSQL RDKit cartridge, then start again
the PostgreSQL service
=====================================================================

-- Configuring incomplete, errors occurred!
See also "C:/RDKit/build/CMakeFiles/CMakeOutput.log".
See also "C:/RDKit/build/CMakeFiles/CMakeError.log".

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Re: [Rdkit-discuss] Building RDKit on Windows

Open-Source Cheminformatics and Machine Learning

Re: [Rdkit-discuss] Building RDKit on Windows