CMake Error:Could not find a package configuration file provided by "boost_python"

[ys0123]

Configuration:

RDKit version: 2020.09.4
Host OS: CentOS 7.4
Docker Container:ubuntu 20.04
Python version : 3.8.5
Are you using conda? No
If you are not using conda: how did you install the RDKit? Build form source

Description:

1. I installed boost-1.72.0 from source and it looks like it's working properly.

git clone https://github.com/boostorg/boost.git
cd boost
git checkout boost-1.72.0
git submodule update --init --recursive
./bootstrap.sh
./b2 --prefix=/usr/local -j18
./b2 install --prefix=/usr/local -j18

sample program(main.cpp and CMakeLists.txt).
cmake .
:
-- Configuring done
-- Generating done
-- Build files have been written to: /root/boost_test

make
:
[ 50%] Building CXX object CMakeFiles/main.dir/main.cpp.o
[100%] Linking CXX executable main
[100%] Built target main

2. next I installed rdkit 2020_09_4 on ubuntu 20.04 in docker container. but I got an error.

export INCLUDE="/usr/local/include/boost:$INCLUDE"
export LIBRARY_PATH="/usr/local/lib:$LIBRARY_PATH"
export LD_LIBRARY_PATH="/usr/local/lib:$LD_LIBRARY_PATH"


RDBASE=/root/rdkit
RDKIT_BRANCH=Release_2020_09_4
git clone https://github.com/rdkit/rdkit.git

cd $RDBASE
git checkout $RDKIT_BRANCH
git submodule update --init --recursive

PYTHONPATH=$RDBASE
LD_LIBRARY_PATH=$RDBASE/lib:$LD_LIBRARY_PATH

mkdir build
cd build
cmake -D RDK_BUILD_INCHI_SUPPORT=ON -D PYTHON_EXECUTABLE=/usr/bin/python3 ..

CMake Error at /usr/local/lib/cmake/Boost-1.72.0/BoostConfig.cmake:120 (find_package):
Could not find a package configuration file provided by "boost_python"
(requested version 1.72.0) with any of the following names:
boost_pythonConfig.cmake
boost_python-config.cmake
Add the installation prefix of "boost_python" to CMAKE_PREFIX_PATH or set
"boost_python_DIR" to a directory containing one of the above files. If
"boost_python" provides a separate development package or SDK, be sure it
has been installed.

Expected behavior
CMake would complete successfully.

I'm not sure what is wrong. Any suggestions will be helpful!

[greglandrum]

Try adding -DBoost_NO_BOOST_CMAKE=TRUE to your cmake command.

[ys0123]

I don't understand the difference between -D Boost_NO_BOOST_CMAKE = TRUE and FALSE.
How does it affect the rdkit or python?
I want to run it in FALSE if possible.

[ys0123]

I tried adding -DBoost_NO_BOOST_CMAKE=TRUE. but another error happed.

CMake Error at /usr/share/cmake-3.16/Modules/FindPackageHandleStandardArgs.cmake:146 (message):
Could NOT find Boost (missing: python) (found suitable version "1.72.0",
minimum required is "1.58.0")
Call Stack (most recent call first):
/usr/share/cmake-3.16/Modules/FindPackageHandleStandardArgs.cmake:393 (_FPHSA_FAILURE_MESSAGE)
/usr/share/cmake-3.16/Modules/FindBoost.cmake:2179 (find_package_handle_standard_args)
CMakeLists.txt:287 (find_package)

What should I do?

[greglandrum]

That's not necessarily actually an error. If you think it is, please provide the entire output from running cmake

[ys0123]

this is a logs.

cmake -D Boost_NO_BOOST_CMAKE=TRUE -D RDK_BUILD_INCHI_SUPPORT=ON -D PYTHON_EXECUTABLE=/usr/bin/python3 ..

-- Found Catch2 source in /root/rdkit/External/catch/catch
CATCH: /root/rdkit/External/catch/catch/single_include/catch2
-- Could NOT find InChI in system locations (missing: INCHI_LIBRARY INCHI_INCLUDE_DIR)
CUSTOM_INCHI_PATH = /root/rdkit/External/INCHI-API
-- Found InChI software locally
CMake Warning at /usr/share/cmake-3.16/Modules/FindBoost.cmake:2020 (message):
No header defined for python-py38; skipping header check (note: header-only
libraries have no designated component)
Call Stack (most recent call first):
CMakeLists.txt:279 (find_package)

CMake Error at /usr/share/cmake-3.16/Modules/FindPackageHandleStandardArgs.cmake:146 (message):
Could NOT find Boost (missing: python) (found suitable version "1.72.0",
minimum required is "1.58.0")
Call Stack (most recent call first):
/usr/share/cmake-3.16/Modules/FindPackageHandleStandardArgs.cmake:393 (_FPHSA_FAILURE_MESSAGE)
/usr/share/cmake-3.16/Modules/FindBoost.cmake:2179 (find_package_handle_standard_args)
CMakeLists.txt:287 (find_package)

-- Configuring incomplete, errors occurred!
See also "/root/rdkit/build/CMakeFiles/CMakeOutput.log".

[ys0123]

when -D Boost_DEBUG=ON this is a result.
-DBoost_DEBUG=ON.zip

[greglandrum]

That error message is indicating that it couldn't find boost::python
If you're planning on building the RDKit with Python support, then you also need to be sure to build boost::python when you build the rest of boost.

[ys0123]

Thanks!
Could you tell me how to build boost::python?
Isn't it enough below?

git clone https://github.com/boostorg/boost.git
cd boost
git checkout boost-1.72.0
git submodule update --init --recursive
./bootstrap.sh
./b2 --prefix=/usr/local -j18
./b2 install --prefix=/usr/local -j18

[greglandrum]

here's general boost building instructions: https://www.boost.org/doc/libs/1_70_0/more/getting_started/unix-variants.html
and here are build instructions for boost::python: https://www.boost.org/doc/libs/1_70_0/libs/python/doc/html/building.html

Note that this is no longer an RDKit question and that we cannot help with building boost. If you need help building boost, it's probably a better idea to use a pre-built version. There's likely one available directly from your linux distribution that you can use.

[ys0123]

Thank you so much! I will try it later.

it's probably a better idea to use a pre-built version.

I tried to install pre-built version of boost 1.71(apt install libboost-all-dev ) and build RDKIT 2020_09_05 from source.
but I got a lots of error from RDKIT like this.

  Target "MolEnumerator_static" links to target "Boost::system" but the
  target was not found.  Perhaps a find_package() call is missing for an
  IMPORTED target, or an ALIAS target is missing?
Call Stack (most recent call first):
  Code/GraphMol/MolEnumerator/CMakeLists.txt:1 (rdkit_library)

CMake Error at Code/cmake/Modules/RDKitUtils.cmake:55 (add_library):
  Target "MolEnumerator_static" links to target "Boost::iostreams" but the
  target was not found.  Perhaps a find_package() call is missing for an
  IMPORTED target, or an ALIAS target is missing?
Call Stack (most recent call first):
  Code/GraphMol/MolEnumerator/CMakeLists.txt:1 (rdkit_library)

-- Generating done
CMake Generate step failed.  Build files cannot be regenerated correctly.

So I tried to install boost from source.
Could you tell me boost version to build rdkit?

(And I don't want to use anaconda to install rdkit. because it's not free recently.)

[Amar1729]

This is very old, but for anybody finding this you may need:

./bootstrap.sh --with-python=$(which python) --with-python-version=3.6 --with-python-root=~/.pyenv/versions/3.6-dev/

./b2 --with-python install

Those paths are what I used (compiling with pyenv's Python) but you may need to change the locations to reflect your Python installation (likely will need to use the paths of the apt-installed Python).

Before compiling rdkit, you can check whether boost properly built its python extensions by looking for any libboost_python*so* files under the PREFIX you installed boost.

• https://stackoverflow.com/questions/5539557/boost-and-python-3-x

I know OP isn't using pyenv but these links for useful for me:

• https://stackoverflow.com/questions/66038782/installing-the-same-version-of-pyenv-and-boost-python
• https://stackoverflow.com/questions/42839382/failing-to-install-boost-in-python-pyconfig-h-not-found
• Example of enabling build with shared Python library. pyenv/pyenv#392

[rishavpandey160999]

In this way? - - >
cmake -DBoost_NO_BOOST_CMAKE=TRUE

And do I have to run this in "Fairsoft" directory?