Re: [Rdkit-discuss] unable to build from source with cmake

2020-05-14 Thread balducci
hi there

> Also, does adding -DBoost_NO_BOOST_CMAKE=ON help or change things?

ah-ah! that makes the errors go away (I would have never been able to
sort this out by myself!) and now the build is running nicely with
-lboost_system -lboost_iostreams -lboost_regex links properly spelled.

So, if I understand correctly the documentation about this
Boost_NO_BOOST_CMAKE variable, my problem might be related to the use
of boost's own BoostConfig.cmake file, or to the interaction between the
cmake machineries of rdkit and boost.

(Out of curiosity, do you reproduce the errors with the scriptlett I
enclosed?)

Might this issue be in some way related to this entry in ReleaseNotes.md?

8<
# Release_2018.09.1
(Changes relative to Release_2018.03.1)
[...]
  - Stop using the cmake Boost:: targets
 (github pull #1858 from greglandrum)
>8

However, I cannot find any reported problem in my notes about
installation of  rdkit-2018.09.1, so...



So, thank you very much indeed!

That Boost_NO_BOOST_CMAKE setting fixes things for me (I would be really
curious to understand why using boost's BoostConfig.cmake configuration
file doesn't work; but that probably requires a knowledge about cmake
which I lack)

thanks again
ciao
gabriele


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Re: [Rdkit-discuss] unable to build from source with cmake

2020-05-14 Thread Paolo Tosco

Hi Gabriele,

add -DBoost_DEBUG=ON to your cmake command to have more information 
regarding the failure.


Also, does adding -DBoost_NO_BOOST_CMAKE=ON help or change things?

Cheers,
p.

On 14/05/2020 13:45, baldu...@units.it wrote:

hello

I'm clearly missing something here, but not being able to clarify
things.

After 2019_09_1b1 I'm not able to build rdkit via cmake from source
any longer

Even following the plain instructions in Install.md :

RDBASE=./rdkit
cd $RDBASE
mkdir build
cd build
cmake ..
make

doesn't work.

At cmake time I get a flood of errors related to boost like these:

 8<
 CMake Error at Code/cmake/Modules/RDKitUtils.cmake:153 (add_executable):
   Target "testCoordGen" 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):
   External/CoordGen/CMakeLists.txt:108 (rdkit_test)


 CMake Error at Code/cmake/Modules/RDKitUtils.cmake:153 (add_executable):
   Target "testCoordGen" 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):
   External/CoordGen/CMakeLists.txt:108 (rdkit_test)
 >8

If I ignore the above errors and continue with make, the build crashes
very soon with:

 8<
 /usr/bin/c++ -fPIC  -mpopcnt -Wno-deprecated -Wno-unused-function 
-fno-strict-aliasing -Wall -Wextra -fPIC -O3 -DNDEBUG  -shared 
-Wl,-soname,libRDKitDepictor.so.1 -o 
../../../lib/libRDKitDepictor.so.1.2020.03.2 
CMakeFiles/Depictor.dir/RDDepictor.cpp.o 
CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o 
CMakeFiles/Depictor.dir/DepictUtils.cpp.o  
-Wl,-rpath,/home/balducci/tmp/install-us-d/rdkit-2020_03_2.d/rdkit/build/lib: 
../../../lib/libRDKitMolAlign.so.1.2020.03.2 -lcoordgen -lmaeparser 
-lBoost::system -lBoost::iostreams 
../../../lib/libRDKitMolTransforms.so.1.2020.03.2 
../../../lib/libRDKitEigenSolvers.so.1.2020.03.2 
../../../lib/libRDKitAlignment.so.1.2020.03.2 
../../../lib/libRDKitForceFieldHelpers.so.1.2020.03.2 
../../../lib/libRDKitSubstructMatch.so.1.2020.03.2 
../../../lib/libRDKitSmilesParse.so.1.2020.03.2 
../../../lib/libRDKitForceField.so.1.2020.03.2 
../../../lib/libRDKitOptimizer.so.1.2020.03.2 
../../../lib/libRDKitTrajectory.so.1.2020.03.2 
../../../lib/libRDKitGraphMol.so.1.2020.03.2 
../../../lib/libRDKitRingDecomposerLib.so.1.2020.03.2 
../../../lib/libRDKitRDGeometryLib.so.1.2020.03.2 
../../../lib/libRDKitDataStructs.so.1.2020.03.2 
../../../lib/libRDKitRDGeneral.so.1.2020.03.2 -lpthread
 /usr/bin/ld: cannot find -lBoost::system
 /usr/bin/ld: cannot find -lBoost::iostreams
 collect2: error: ld returned 1 exit status
 make[2]: *** 
[Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build.make:154: 
lib/libRDKitDepictor.so.1.2020.03.2] Error 1
 make[2]: Leaving directory 
'/home/balducci/tmp/install-us-d/rdkit-2020_03_2.d/rdkit/build'
 >8

Apparently, the boost libs have been messed up, most probably related
with the above cmake error messages

If I try to build with ninja, the build doesn't even start:

 8<
 [...]
 CMake Generate step failed.  Build files cannot be regenerated correctly.
 ninja: error: loading 'build.ninja': No such file or directory
 >8

Cloning from git and using the following versions of the involved
packages:

 rdkit-2020_03_2
 boost-1_73_0
 cmake-3.17.2
 make-4.3
 ninja-1.10.0
 gcc-9.3.0

I can add that I obtain the same result also with boost-1_71_0

I'm enclosing a small script which allows to reproduce (or not) the
problem I'm reporting about

I suspect something wrong with my boost installation, but I'm unable
to find the culprit

I'm hoping that someone fluent in cmake can easily spot the mistake
I'm doing

Any hint will be warmly appreciated

ciao
-gabriele

8<
#!/bin/sh

work_dir=$(pwd)

the_tag="Release_2020_03_2"
GIT_SSL_NO_VERIFY=true \
git clone -b ${the_tag} https://github.com/rdkit/rdkit.git rdkit

RDBASE=rdkit

cd $RDBASE
mkdir build
cd build
cmake -DCMAKE_VERBOSE_MAKEFILE=ON ..

# the above command dumps a bunch of errors like:
   # CMake Error at Code/cmake/Modules/RDKitUtils.cmake:153 (add_executable):
   #   Target "testCoordGen" 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):
   #   External/CoordGen/CMakeLists.txt:108 (rdkit_test)
   
make



###
# uncomment for ninja #
###
# cd $RDBASE
# mkdir build
# cd build
# cmake -G"Ninja" ..
# ninja -v

exit
8<


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