On Wed, Jun 5, 2019, 06:04 Souvik Chakraborty <[email protected]> wrote:
> Dear members,
>
> I am trying to install votca-csg for the first time. I found some error at
> the 'cmake' step. Please shed light on the issue and if I did something
> wrong.
> I have Gromacs 16.03 installed and I am using cmake 3.14.5.
>
>
> ##############################################################################
> $-> pkg-config --libs libgromacs
>
> -L/usr/local/gromacs/lib -lgromacs -lm
>
If you look at the error message below VOTCA actually picked up a
libgromacs_d.so from somewhere else. Setting GROMACS_LIBRARY should
actually overwrite that finding. Please check another time you point CMake
to the right place and start from a empty build directory again.
Otherwise, you can also have votca compile it's own gromacs by setting
BUILD_OWN_GROMACS=ON.
Christoph
>
> $-> cmake -DBUILD_CSGAPPS=ON -DCMAKE_INSTALL_PREFIX=${prefix}
> -DWITH_GMX=ON -DGROMACS_INCLUDE_DIR=/usr/local/gromacs/include
> -DGROMACS_LIBRARY=/usr/local/gromacs/lib/libgromacs.so ..
>
> -- Boost version: 1.58.0
> -- Found the following Boost libraries:
> -- program_options
> -- filesystem
> -- system
> -- Intel(R) MKL could not be found.
> -- Found Eigen3: /usr/local/share/eigen3/cmake
> -- Could NOT find Doxygen (missing: DOXYGEN_EXECUTABLE)
> -- Boost version: 1.58.0
> -- Found the following Boost libraries:
> -- program_options
> -- filesystem
> -- system
> -- Found Eigen3: /usr/local/share/eigen3/cmake
> -- Found VOTCA_TOOLS:
> CMake Error at csg/CMakeModules/FindGROMACS.cmake:52 (message):
> Could not find a suitable gromacs library. gmx_version is not defined in
> the gromacs library, that is very very strange, take a look at the error
> message in
>
> /home/souvik/Downloads/VOTKA/VOTKA-git/votca/build/CMakeFiles/CMakeError.log
> to find out what was going wrong. This most likely means that your
> gromacs
> version is too old, we need at least gromacs 2016!
> Call Stack (most recent call first):
> CMakeLists.txt:78 (_find_package)
> csg/CMakeLists.txt:73 (find_package)
>
>
> -- Configuring incomplete, errors occurred!
> See also
> "/home/souvik/Downloads/VOTKA/VOTKA-git/votca/build/CMakeFiles/CMakeOutput.log".
> See also
> "/home/souvik/Downloads/VOTKA/VOTKA-git/votca/build/CMakeFiles/CMakeError.log".
>
>
> #########################################################################################
>
>
>
>
>
>
> The errors printed on CMakeError.log:
>
> CMakeFiles/cmTC_6e721.dir/build.make:65: recipe for target
> 'CMakeFiles/cmTC_6e721.dir/src.c.o' failed
> make[1]: *** [CMakeFiles/cmTC_6e721.dir/src.c.o] Error 1
> make[1]: Leaving directory
> '/home/souvik/Downloads/VOTKA/VOTKA-git/votca/build/CMakeFiles/CMakeTmp'
> Makefile:121: recipe for target 'cmTC_6e721/fast' failed
> make: *** [cmTC_6e721/fast] Error 2
>
> Source file was:
> int main(void) {
> #ifndef _AIX
> #error
> #endif
> return 0;
> }
> Determining if the function gmx_version exists in the
> /usr/lib/x86_64-linux-gnu/libgromacs_d.so failed with the following output:
> Change Dir:
> /home/souvik/Downloads/VOTKA/VOTKA-git/votca/build/CMakeFiles/CMakeTmp
>
> Run Build Command(s):/usr/bin/make cmTC_ba1cf/fast
> /usr/bin/make -f CMakeFiles/cmTC_ba1cf.dir/build.make
> CMakeFiles/cmTC_ba1cf.dir/build
> make[1]: Entering directory
> '/home/souvik/Downloads/VOTKA/VOTKA-git/votca/build/CMakeFiles/CMakeTmp'
> Building CXX object CMakeFiles/cmTC_ba1cf.dir/CheckFunctionExists.cpp.o
> /usr/bin/c++ -DCHECK_FUNCTION_EXISTS=gmx_version -std=c++14 -o
> CMakeFiles/cmTC_ba1cf.dir/CheckFunctionExists.cpp.o -c
> /home/souvik/Downloads/VOTKA/VOTKA-git/votca/csg/CMakeModules/CheckFunctionExists.cpp
> Linking CXX executable cmTC_ba1cf
> /usr/local/bin/cmake -E cmake_link_script
> CMakeFiles/cmTC_ba1cf.dir/link.txt --verbose=1
> /usr/bin/c++ -DCHECK_FUNCTION_EXISTS=gmx_version
> CMakeFiles/cmTC_ba1cf.dir/CheckFunctionExists.cpp.o -o cmTC_ba1cf
> /usr/lib/x86_64-linux-gnu/libgromacs_d.so
> CMakeFiles/cmTC_ba1cf.dir/CheckFunctionExists.cpp.o: In function `main':
> CheckFunctionExists.cpp:(.text+0x10): undefined reference to
> `gmx_version()'
> collect2: error: ld returned 1 exit status
> CMakeFiles/cmTC_ba1cf.dir/build.make:87: recipe for target 'cmTC_ba1cf'
> failed
> make[1]: *** [cmTC_ba1cf] Error 1
> make[1]: Leaving directory
> '/home/souvik/Downloads/VOTKA/VOTKA-git/votca/build/CMakeFiles/CMakeTmp'
> Makefile:121: recipe for target 'cmTC_ba1cf/fast' failed
> make: *** [cmTC_ba1cf/fast] Error 2
>
>
>
> ##########################################################################
>
> Regards,
>
> Souvik
>
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