Ok, I found it, that is actually a bug in VOTCA, I made a fix here: https://github.com/votca/tools/pull/234 alternatively, you can disable fftw, with -DCMAKE_DISABLE_FIND_PACKAGE_FFTW3=ON
Christoph On Sat, Apr 25, 2020 at 12:09 PM Salman Bin Kashif <[email protected]> wrote: > > Following is the output of make VERBOSE-1 > > [sbinkas@node0170 build]$ make VERBOSE=1 > /software/cmake/3.10.0/bin/cmake -H/home/sbinkas/software/votca > -B/home/sbinkas/software/votca/build --check-build-system > CMakeFiles/Makefile.cmake 0 > /software/cmake/3.10.0/bin/cmake -E cmake_progress_start > /home/sbinkas/software/votca/build/CMakeFiles > /home/sbinkas/software/votca/build/CMakeFiles/progress.marks > make -f CMakeFiles/Makefile2 all > make[1]: Entering directory `/home/sbinkas/software/votca/build' > make -f tools/share/man/CMakeFiles/votca_tools_manpages.dir/build.make > tools/share/man/CMakeFiles/votca_tools_manpages.dir/depend > make[2]: Entering directory `/home/sbinkas/software/votca/build' > cd /home/sbinkas/software/votca/build && /software/cmake/3.10.0/bin/cmake -E > cmake_depends "Unix Makefiles" /home/sbinkas/software/votca > /home/sbinkas/software/votca/tools/share/man > /home/sbinkas/software/votca/build > /home/sbinkas/software/votca/build/tools/share/man > /home/sbinkas/software/votca/build/tools/share/man/CMakeFiles/votca_tools_manpages.dir/DependInfo.cmake > --color= > make[2]: Leaving directory `/home/sbinkas/software/votca/build' > make -f tools/share/man/CMakeFiles/votca_tools_manpages.dir/build.make > tools/share/man/CMakeFiles/votca_tools_manpages.dir/build > make[2]: Entering directory `/home/sbinkas/software/votca/build' > make[2]: Nothing to be done for > `tools/share/man/CMakeFiles/votca_tools_manpages.dir/build'. > make[2]: Leaving directory `/home/sbinkas/software/votca/build' > [ 0%] Built target votca_tools_manpages > make -f tools/src/libtools/CMakeFiles/gitversion.dir/build.make > tools/src/libtools/CMakeFiles/gitversion.dir/depend > make[2]: Entering directory `/home/sbinkas/software/votca/build' > cd /home/sbinkas/software/votca/build && /software/cmake/3.10.0/bin/cmake -E > cmake_depends "Unix Makefiles" /home/sbinkas/software/votca > /home/sbinkas/software/votca/tools/src/libtools > /home/sbinkas/software/votca/build > /home/sbinkas/software/votca/build/tools/src/libtools > /home/sbinkas/software/votca/build/tools/src/libtools/CMakeFiles/gitversion.dir/DependInfo.cmake > --color= > make[2]: Leaving directory `/home/sbinkas/software/votca/build' > make -f tools/src/libtools/CMakeFiles/gitversion.dir/build.make > tools/src/libtools/CMakeFiles/gitversion.dir/build > make[2]: Entering directory `/home/sbinkas/software/votca/build' > cd /home/sbinkas/software/votca/build/tools/src/libtools && > /software/cmake/3.10.0/bin/cmake > -DTOP_SOURCE_DIR="/home/sbinkas/software/votca" -DGIT_EXECUTABLE="/bin/git" > -P /home/sbinkas/software/votca/tools/CMakeModules/gitversion.cmake > Current git revision is 98e27cd > make[2]: Leaving directory `/home/sbinkas/software/votca/build' > [ 0%] Built target gitversion > make -f tools/src/libtools/CMakeFiles/votca_tools.dir/build.make > tools/src/libtools/CMakeFiles/votca_tools.dir/depend > make[2]: Entering directory `/home/sbinkas/software/votca/build' > cd /home/sbinkas/software/votca/build && /software/cmake/3.10.0/bin/cmake -E > cmake_depends "Unix Makefiles" /home/sbinkas/software/votca > /home/sbinkas/software/votca/tools/src/libtools > /home/sbinkas/software/votca/build > /home/sbinkas/software/votca/build/tools/src/libtools > /home/sbinkas/software/votca/build/tools/src/libtools/CMakeFiles/votca_tools.dir/DependInfo.cmake > --color= > make[2]: Leaving directory `/home/sbinkas/software/votca/build' > make -f tools/src/libtools/CMakeFiles/votca_tools.dir/build.make > tools/src/libtools/CMakeFiles/votca_tools.dir/build > make[2]: Entering directory `/home/sbinkas/software/votca/build' > make[2]: Nothing to be done for > `tools/src/libtools/CMakeFiles/votca_tools.dir/build'. > make[2]: Leaving directory `/home/sbinkas/software/votca/build' > [ 27%] Built target votca_tools > make -f tools/src/tools/CMakeFiles/votca_property.dir/build.make > tools/src/tools/CMakeFiles/votca_property.dir/depend > make[2]: Entering directory `/home/sbinkas/software/votca/build' > cd /home/sbinkas/software/votca/build && /software/cmake/3.10.0/bin/cmake -E > cmake_depends "Unix Makefiles" /home/sbinkas/software/votca > /home/sbinkas/software/votca/tools/src/tools > /home/sbinkas/software/votca/build > /home/sbinkas/software/votca/build/tools/src/tools > /home/sbinkas/software/votca/build/tools/src/tools/CMakeFiles/votca_property.dir/DependInfo.cmake > --color= > make[2]: Leaving directory `/home/sbinkas/software/votca/build' > make -f tools/src/tools/CMakeFiles/votca_property.dir/build.make > tools/src/tools/CMakeFiles/votca_property.dir/build > make[2]: Entering directory `/home/sbinkas/software/votca/build' > [ 28%] Building CXX object > tools/src/tools/CMakeFiles/votca_property.dir/votca_property.cc.o > cd /home/sbinkas/software/votca/build/tools/src/tools && > /software/gcc/5.4.0/bin/g++ -I/home/sbinkas/software/votca/tools/include > -I/home/sbinkas/software/votca/build/tools/include -isystem > /home/sbinkas/software/include/eigen3 -Wall -Wextra -Wpedantic -Wshadow > -Wconversion -O3 -DNDEBUG -std=c++14 -o > CMakeFiles/votca_property.dir/votca_property.cc.o -c > /home/sbinkas/software/votca/tools/src/tools/votca_property.cc > In file included from > /home/sbinkas/software/votca/tools/include/votca/tools/eigen.h:52:0, > from > /home/sbinkas/software/votca/tools/include/votca/tools/property.h:21, > from > /home/sbinkas/software/votca/tools/include/votca/tools/application.h:21, > from > /home/sbinkas/software/votca/tools/src/tools/votca_property.cc:22: > /home/sbinkas/software/include/eigen3/unsupported/Eigen/FFT:75:21: fatal > error: fftw3.h: No such file or directory > compilation terminated. > make[2]: *** > [tools/src/tools/CMakeFiles/votca_property.dir/votca_property.cc.o] Error 1 > make[2]: Leaving directory `/home/sbinkas/software/votca/build' > make[1]: *** [tools/src/tools/CMakeFiles/votca_property.dir/all] Error 2 > make[1]: Leaving directory `/home/sbinkas/software/votca/build' > make: *** [all] Error 2 > > On Sat, Apr 25, 2020 at 1:59 PM Christoph Junghans <[email protected]> wrote: >> >> >> >> On Sat, Apr 25, 2020 at 11:45 Salman Bin Kashif <[email protected]> wrote: >>> >>> I have attached the printed output from cmake command herewith >> >> thanks, please do me a favor and also attach the output of “make VERBOSE=1”. >>> >>> >>> On Sat, Apr 25, 2020 at 1:41 PM Christoph Junghans <[email protected]> >>> wrote: >>>> >>>> >>>> >>>> On Sat, Apr 25, 2020 at 11:25 Salman Bin Kashif <[email protected]> >>>> wrote: >>>>> >>>>> Thank you. That works too. Next error was encountered in make -j5 command. >>>>> >>>>> >>>>> /home/sbinkas/software/include/eigen3/unsupported/Eigen/FFT:75:21: fatal >>>>> error: fftw3.h: No such file or directory >>>> >>>> it seems the fftw3 dev package is missing! >>>> >>>> Can you post the output of your CMake execution, what fftw3 found? >>>> >>>> Christoph >>>>> >>>>> >>>>> >>>>> I didn't find fftw.h in the entire eigen folder though. I am not sure >>>>> which path should I provide then. >>>>> >>>>> On Sat, Apr 25, 2020 at 1:03 PM Christoph Junghans <[email protected]> >>>>> wrote: >>>>>> >>>>>> On Sat, Apr 25, 2020 at 10:52 AM Salman Bin Kashif >>>>>> <[email protected]> wrote: >>>>>> > >>>>>> > Thank you. This suggestion works. The cmake command did not throw any >>>>>> > fatal error this time. >>>>>> > >>>>>> > However, I would like to discuss some caveats: >>>>>> > >>>>>> > 1. Would TXT2TAGS not being found be an issue in later steps? Like >>>>>> > when running the simulation? It does suggest optional. But I assume it >>>>>> > may be used for generating xml files during run. >>>>>> txt2tags is only used to build the manpage (documentation), so no issue >>>>>> here. >>>>>> > >>>>>> > 2. Warning with run time library: >>>>>> > >>>>>> > Cannot generate a safe runtime search path for target votca_tools >>>>>> > because >>>>>> > files in some directories may conflict with libraries in implicit >>>>>> > directories: >>>>>> > >>>>>> > runtime library [libexpat.so.1] in /usr/lib64 may be hidden by >>>>>> > files in: >>>>>> > /home/sbinkas/software/lib >>>>>> This error basically means there are two libexpat in your >>>>>> LD_LIBRARY_PATH. >>>>>> You tell CMake to explicitly use the one from >>>>>> /home/sbinkas/software/lib by add >>>>>> -DCMAKE_PREFIX_PATH=/home/sbinkas/software. >>>>>> >>>>>> Christoph >>>>>> > >>>>>> > I kind of get where is it coming from. This /home/sbinkas/software/lib >>>>>> > got added while installing one of the dependencies. I don't remember >>>>>> > which one to be exact, but possibly it was from eigen3. So a conflict >>>>>> > may have arisen. Should I worry about it? >>>>>> > >>>>>> > Again, I very much appreciate your help. >>>>>> > >>>>>> > -Salman >>>>>> > >>>>>> > >>>>>> > Output: >>>>>> > >>>>>> > >>>>>> > - The following OPTIONAL packages have been found: >>>>>> > >>>>>> > * Git >>>>>> > * FFTW3 >>>>>> > * UnixCommands >>>>>> > * PkgConfig >>>>>> > * HDF5 >>>>>> > * Doxygen >>>>>> > >>>>>> > -- The following REQUIRED packages have been found: >>>>>> > >>>>>> > * EXPAT >>>>>> > * Threads >>>>>> > * Boost (required version >= 1.53.0) >>>>>> > * Eigen3 (required version >= 3.3.0) >>>>>> > * GROMACS (required version >= 2016) >>>>>> > >>>>>> > -- The following OPTIONAL packages have not been found: >>>>>> > >>>>>> > * MKL >>>>>> > * TXT2TAGS >>>>>> > * CLANG_FORMAT (required version >= 7.0.1) >>>>>> > >>>>>> > -- Configuring done >>>>>> > CMake Warning at tools/src/libtools/CMakeLists.txt:5 (add_library): >>>>>> > Cannot generate a safe runtime search path for target votca_tools >>>>>> > because >>>>>> > files in some directories may conflict with libraries in implicit >>>>>> > directories: >>>>>> > >>>>>> > runtime library [libexpat.so.1] in /usr/lib64 may be hidden by >>>>>> > files in: >>>>>> > /home/sbinkas/software/lib >>>>>> > >>>>>> > Some of these libraries may not be found correctly. >>>>>> > >>>>>> > >>>>>> > -- Generating done >>>>>> > -- Build files have been written to: /home/sbinkas/software/votca/build >>>>>> > >>>>>> > On Sat, Apr 25, 2020 at 12:31 PM Christoph Junghans >>>>>> > <[email protected]> wrote: >>>>>> >> >>>>>> >> On Sat, Apr 25, 2020 at 10:26 AM Salman Bin Kashif >>>>>> >> <[email protected]> wrote: >>>>>> >> > >>>>>> >> > This is the error associated with libgromacs: >>>>>> >> > >>>>>> >> > gmake[1]: *** No rule to make target >>>>>> >> > `/home/sbinkas/gromacs/lib/libgromacs.so', needed by `cmTC_b3327 >>>>>> >> > '. Stop. >>>>>> >> > 101 gmake[1]: Leaving directory >>>>>> >> > `/home/sbinkas/software/votca/build/CMakeFiles/CMakeTmp' >>>>>> >> > 102 gmake: *** [cmTC_b3327/fast] Error 2 >>>>>> >> In the CMake output it says, it is using >>>>>> >> /home/sbinkas/software/gromacs-2018.3/lib64/libgromacs.so, but now it >>>>>> >> is looking for >>>>>> >> `/home/sbinkas/gromacs/lib/libgromacs.so, you might want to help CMake >>>>>> >> by setting >>>>>> >> -DGROMACS_LIBRARY=/home/sbinkas/software/gromacs-2018.3/lib64/libgromacs.so. >>>>>> >> >>>>>> >> Christoph >>>>>> >> > >>>>>> >> > On Sat, Apr 25, 2020 at 12:12 PM Christoph Junghans >>>>>> >> > <[email protected]> wrote: >>>>>> >> >> >>>>>> >> >> On Sat, Apr 25, 2020 at 8:53 AM Salman Bin Kashif >>>>>> >> >> <[email protected]> wrote: >>>>>> >> >> > >>>>>> >> >> > Thanks very much for being patient with me. >>>>>> >> >> > >>>>>> >> >> > I had installed eigen3 easier which incidentally happen to be >>>>>> >> >> > from the same source you pointed out. Eigen is being read >>>>>> >> >> > properly I assume. >>>>>> >> >> > >>>>>> >> >> > -- Found Eigen3: >>>>>> >> >> > /home/sbinkas/software/eigen-eigen-67e894c6cd8f/build_dir >>>>>> >> >> > >>>>>> >> >> > However, there are two more issues: >>>>>> >> >> > >>>>>> >> >> > -- Could NOT find TXT2TAGS (missing: TXT2TAGS_EXECUTABLE) >>>>>> >> >> > txt2tags not found, help cmake to find it by setting >>>>>> >> >> > TXT2TAGS_EXECUTABLE >>>>>> >> >> > >>>>>> >> >> > >>>>>> >> >> > I have provided the path to executable txt2tags file in >>>>>> >> >> > /home/software/txt2tags-2.6/txt2tags but it still is not fould. >>>>>> >> >> > However, the error was not fatal due to it. >>>>>> >> >> Don't worry this one is optional. >>>>>> >> >> >>>>>> >> >> > >>>>>> >> >> > The error was fatal due to not having been able to read c++ >>>>>> >> >> > version in gromacs library. It is reaching to the libgromacs.so >>>>>> >> >> > file though. >>>>>> >> >> > >>>>>> >> >> > The error message is as follows: >>>>>> >> >> > >>>>>> >> >> > -- Looking for c++ gmx_version in >>>>>> >> >> > /home/sbinkas/software/gromacs-2018.3/lib64/libgromacs.so >>>>>> >> >> > -- Looking for c++ gmx_version in >>>>>> >> >> > /home/sbinkas/software/gromacs-2018.3/lib64/libgromacs.so - not >>>>>> >> >> > found >>>>>> >> >> > CMake Error at csg/CMakeModules/FindGROMACS.cmake:57 (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/sbinkas/software/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! >>>>>> >> >> > >>>>>> >> >> > My version is 2018.3 >>>>>> >> >> > >>>>>> >> >> > I have used this command for cmake: >>>>>> >> >> > >>>>>> >> >> > cmake -DBUILD_CSGAPPS=ON -DCMAKE_INSTALL_PREFIX=${prefix} >>>>>> >> >> > -DWITH_GMX=ON .. >>>>>> >> >> > >>>>>> >> >> > Providing the path to include directory and library also makes >>>>>> >> >> > no difference. >>>>>> >> >> > >>>>>> >> >> > However, I would note a caveat. The gromacs version I installed >>>>>> >> >> > manually on cluster was installed with -DGMX_MPI=OFF. >>>>>> >> >> > >>>>>> >> >> > But, the dependencies requirement suggests gromacs-openmpi. Can >>>>>> >> >> > that be a reason? >>>>>> >> >> Votca needs a non-mpi version, so that should be fine. You only >>>>>> >> >> need >>>>>> >> >> gromacs with mpi at runtime to do parallel simulations. >>>>>> >> >> Have a look at the end of >>>>>> >> >> /home/sbinkas/software/votca/build/CMakeFiles/CMakeError.log to see >>>>>> >> >> what is wrong with your libgromacs. >>>>>> >> >> >>>>>> >> >> >>>>>> >> >> > PS: I am talking about installation on cluster now. On local >>>>>> >> >> > machine Votca package got installed using apt-get but as >>>>>> >> >> > expected, the simulations were super slow. >>>>>> >> >> Usually you can speed up the gromacs simulation part by running on >>>>>> >> >> all cores. >>>>>> >> >> >>>>>> >> >> Christoph >>>>>> >> >> > >>>>>> >> >> > Thanks for all your help again. >>>>>> >> >> > >>>>>> >> >> > On Sat, Apr 25, 2020 at 9:41 AM Christoph Junghans >>>>>> >> >> > <[email protected]> wrote: >>>>>> >> >> >> >>>>>> >> >> >> On Sat, Apr 25, 2020 at 7:15 AM Salman Bin Kashif >>>>>> >> >> >> <[email protected]> wrote: >>>>>> >> >> >> > >>>>>> >> >> >> > Okay. I will install a newer version manually and apt-get >>>>>> >> >> >> > consider the 3.3-beta1 version to be the latest. >>>>>> >> >> >> That might help: >>>>>> >> >> >> https://askubuntu.com/questions/1068232/how-to-update-libeigen3-to-version-3-3-on-16-04-xenial >>>>>> >> >> >> >>>>>> >> >> >> > >>>>>> >> >> >> > My linux version is: >>>>>> >> >> >> > >>>>>> >> >> >> > Ubuntu 16.04.4 LTS >>>>>> >> >> >> Hmm, as the name suggests that Ubuntu is from 2016 and we will >>>>>> >> >> >> only >>>>>> >> >> >> support the latest LTS version, which currently is 18.04 (until >>>>>> >> >> >> later >>>>>> >> >> >> this month when 20.04 LTS is released). We just don't have the >>>>>> >> >> >> manpower to support anything but the latest versions of most >>>>>> >> >> >> Linux >>>>>> >> >> >> distributions. >>>>>> >> >> >> >>>>>> >> >> >> Plus, the gromacs version in 16.04 might be also too old to be >>>>>> >> >> >> used >>>>>> >> >> >> with VOTCA-1.6. >>>>>> >> >> >> >>>>>> >> >> >> Christoph >>>>>> >> >> >> > >>>>>> >> >> >> > On Sat, Apr 25, 2020 at 9:10 AM Christoph Junghans >>>>>> >> >> >> > <[email protected]> wrote: >>>>>> >> >> >> >> >>>>>> >> >> >> >> On Fri, Apr 24, 2020 at 10:07 PM Salman Bin Kashif >>>>>> >> >> >> >> <[email protected]> wrote: >>>>>> >> >> >> >> > >>>>>> >> >> >> >> > Thanks again for answering my questions. >>>>>> >> >> >> >> > >>>>>> >> >> >> >> > "What version do you have installed?" >>>>>> >> >> >> >> > >>>>>> >> >> >> >> > For eigen3, I have installed the version libeigen3-dev >>>>>> >> >> >> >> > which is mentioned in the dependencies section. The >>>>>> >> >> >> >> > version information for eigen3 is as follows: >>>>>> >> >> >> >> > >>>>>> >> >> >> >> > libeigen3-dev is already the newest version (3.3~beta1-2) >>>>>> >> >> >> >> Yes, and 3.3-beta1 is older than 3.3.0, so you need a newer >>>>>> >> >> >> >> version of eigen3. >>>>>> >> >> >> >> >>>>>> >> >> >> >> What Linux distribution are you using? >>>>>> >> >> >> >> >>>>>> >> >> >> >> Christoph >>>>>> >> >> >> >> > >>>>>> >> >> >> >> > >>>>>> >> >> >> >> > -Salman >>>>>> >> >> >> >> > >>>>>> >> >> >> >> > >>>>>> >> >> >> >> > >>>>>> >> >> >> >> > On Sat, Apr 25, 2020 at 12:00 AM Christoph Junghans >>>>>> >> >> >> >> > <[email protected]> wrote: >>>>>> >> >> >> >> >> >>>>>> >> >> >> >> >> >>>>>> >> >> >> >> >> >>>>>> >> >> >> >> >> On Fri, Apr 24, 2020, 21:00 Salman Bin Kashif >>>>>> >> >> >> >> >> <[email protected]> wrote: >>>>>> >> >> >> >> >>> >>>>>> >> >> >> >> >>> Thank you, Christoph. I now tried installing v 1.6. I am >>>>>> >> >> >> >> >>> trying on local machine for now since it is easier to >>>>>> >> >> >> >> >>> install all the dependencies. >>>>>> >> >> >> >> >>> >>>>>> >> >> >> >> >>> Initially, my cmake version was old which was 3.5.1 and >>>>>> >> >> >> >> >>> on installing votca it was throwing an error that >>>>>> >> >> >> >> >>> minimum 3.10 version is required for cmake. Hence I >>>>>> >> >> >> >> >>> manually installed cmake version 3.16.5 >>>>>> >> >> >> >> >>> >>>>>> >> >> >> >> >>> I verified cmake installation by checking the cmake >>>>>> >> >> >> >> >>> --version >>>>>> >> >> >> >> >>> >>>>>> >> >> >> >> >>> However, on installing the votca back I got the >>>>>> >> >> >> >> >>> following error: >>>>>> >> >> >> >> >>> >>>>>> >> >> >> >> >>> Could not find a configuration file for package "Eigen3" >>>>>> >> >> >> >> >>> that is compatible >>>>>> >> >> >> >> >>> with requested version "3.3.0". >>>>>> >> >> >> >> >>> >>>>>> >> >> >> >> >>> The following configuration files were considered but >>>>>> >> >> >> >> >>> not accepted: >>>>>> >> >> >> >> >>> >>>>>> >> >> >> >> >>> /usr/lib/cmake/eigen3/Eigen3Config.cmake, version: >>>>>> >> >> >> >> >>> unknown >>>>>> >> >> >> >> >> >>>>>> >> >> >> >> >> This error means the Eigen3 you have installed is too >>>>>> >> >> >> >> >> old. Eigen-3.3.0 got released back in Nov. 2016, so that >>>>>> >> >> >> >> >> isn't very new either. >>>>>> >> >> >> >> >> >>>>>> >> >> >> >> >> What version do you have installed? >>>>>> >> >> >> >> >> >>>>>> >> >> >> >> >> Christoph >>>>>> >> >> >> >> >> >>>>>> >> >> >> >> >>> >>>>>> >> >> >> >> >>> Would I have to install specific cmake version? >>>>>> >> >> >> >> >>> >>>>>> >> >> >> >> >>> >>>>>> >> >> >> >> >>> On Fri, Apr 24, 2020 at 9:10 PM Christoph Junghans >>>>>> >> >> >> >> >>> <[email protected]> wrote: >>>>>> >> >> >> >> >>>> >>>>>> >> >> >> >> >>>> Votca-1.4.1 was released back in Sept. 2017 and we >>>>>> >> >> >> >> >>>> don't really >>>>>> >> >> >> >> >>>> support such old versions anymore. >>>>>> >> >> >> >> >>>> If you don't have a strong reason to use v1.4.1 try to >>>>>> >> >> >> >> >>>> use Votca-1.6. >>>>>> >> >> >> >> >>>> see https://github.com/votca/votca/blob/master/README.md >>>>>> >> >> >> >> >>>> >>>>>> >> >> >> >> >>>> >>>>>> >> >> >> >> >>>> On Fri, Apr 24, 2020 at 6:59 PM Salman Bin Kashif >>>>>> >> >> >> >> >>>> <[email protected]> wrote: >>>>>> >> >> >> >> >>>> > >>>>>> >> >> >> >> >>>> > I am trying to Install Votca on cluster. In have >>>>>> >> >> >> >> >>>> > loaded the required modules there. However, I am >>>>>> >> >> >> >> >>>> > getting an error in terms of finding the package.I >>>>>> >> >> >> >> >>>> > used the following command: >>>>>> >> >> >> >> >>>> > >>>>>> >> >> >> >> >>>> > cmake -DCMAKE_INSTALL_PREFIX=${prefix} >>>>>> >> >> >> >> >>>> > -DWITH_FFTW=OFF -DWITH_SQLITE3=OFF .. >>>>>> >> >> >> >> >>>> > >>>>>> >> >> >> >> >>>> > The error message I get is: >>>>>> >> >> >> >> >>>> > >>>>>> >> >> >> >> >>>> > -- Boost version: 1.53.0 >>>>>> >> >> >> >> >>>> > -- Found the following Boost libraries: >>>>>> >> >> >> >> >>>> > -- program_options >>>>>> >> >> >> >> >>>> > -- filesystem >>>>>> >> >> >> >> >>>> > -- system >>>>>> >> >> >> >> >>>> > -- checking for module 'gsl' >>>>>> >> >> >> >> >>>> > -- package 'gsl' not found >>>>>> >> >> >> >> >>>> > -- Could NOT find GSL (missing: GSL_LIBRARY >>>>>> >> >> >> >> >>>> > GSL_INCLUDE_DIR) >>>>>> >> >> >> >> >>>> > -- Intel(R) MKL could not be found. >>>>>> >> >> >> >> >>>> > -- >>>>>> >> >> >> >> >>>> > -- The following OPTIONAL packages have been found: >>>>>> >> >> >> >> >>>> > >>>>>> >> >> >> >> >>>> > * PkgConfig >>>>>> >> >> >> >> >>>> > * EXPAT >>>>>> >> >> >> >> >>>> > * Doxygen >>>>>> >> >> >> >> >>>> > >>>>>> >> >> >> >> >>>> > -- The following REQUIRED packages have been found: >>>>>> >> >> >> >> >>>> > >>>>>> >> >> >> >> >>>> > * Threads >>>>>> >> >> >> >> >>>> > * Boost (required version >= 1.39.0) >>>>>> >> >> >> >> >>>> > >>>>>> >> >> >> >> >>>> > -- The following OPTIONAL packages have not been >>>>>> >> >> >> >> >>>> > found: >>>>>> >> >> >> >> >>>> > >>>>>> >> >> >> >> >>>> > * GSL >>>>>> >> >> >> >> >>>> > * MKL >>>>>> >> >> >> >> >>>> > >>>>>> >> >> >> >> >>>> > -- Could NOT find TXT2TAGS (missing: >>>>>> >> >> >> >> >>>> > TXT2TAGS_EXECUTABLE) >>>>>> >> >> >> >> >>>> > txt2tags not found, help cmake to find it by setting >>>>>> >> >> >> >> >>>> > TXT2TAGS_EXECUTABLE >>>>>> >> >> >> >> >>>> > -- Boost version: 1.53.0 >>>>>> >> >> >> >> >>>> > -- Found the following Boost libraries: >>>>>> >> >> >> >> >>>> > -- program_options >>>>>> >> >> >> >> >>>> > -- filesystem >>>>>> >> >> >> >> >>>> > -- system >>>>>> >> >> >> >> >>>> > -- checking for module 'libvotca_tools' >>>>>> >> >> >> >> >>>> > -- package 'libvotca_tools' not found >>>>>> >> >> >> >> >>>> > CMake Error at >>>>>> >> >> >> >> >>>> > /usr/share/cmake/Modules/FindPackageHandleStandardArgs.cmake:108 >>>>>> >> >> >> >> >>>> > (message): >>>>>> >> >> >> >> >>>> > Could NOT find SQLITE3 (missing: >>>>>> >> >> >> >> >>>> > SQLITE3_INCLUDE_DIR) >>>>>> >> >> >> >> >>>> > Call Stack (most recent call first): >>>>>> >> >> >> >> >>>> > >>>>>> >> >> >> >> >>>> > /usr/share/cmake/Modules/FindPackageHandleStandardArgs.cmake:315 >>>>>> >> >> >> >> >>>> > (_FPHSA_FAILURE_MESSAGE) >>>>>> >> >> >> >> >>>> > csg/CMakeModules/FindSQLITE3.cmake:34 >>>>>> >> >> >> >> >>>> > (find_package_handle_standard_args) >>>>>> >> >> >> >> >>>> > csg/CMakeModules/FindVOTCA_TOOLS.cmake:32 >>>>>> >> >> >> >> >>>> > (find_package) >>>>>> >> >> >> >> >>>> > csg/CMakeLists.txt:83 (find_package) >>>>>> >> >> >> >> >>>> Usually WITH_SQLITE3=OFF should disable the search for >>>>>> >> >> >> >> >>>> sqlite3, >>>>>> >> >> >> >> >>>> something funky is going on here as L32 in v1.4.1 isn't >>>>>> >> >> >> >> >>>> actually >>>>>> >> >> >> >> >>>> checking for sqlite3: >>>>>> >> >> >> >> >>>> https://github.com/votca/csg/blob/v1.4.1/CMakeModules/FindVOTCA_CSG.cmake >>>>>> >> >> >> >> >>>> Please check you are using the correct version of csg. >>>>>> >> >> >> >> >>>> >>>>>> >> >> >> >> >>>> Christoph >>>>>> >> >> >> >> >>>> > >>>>>> >> >> >> >> >>>> > >>>>>> >> >> >> >> >>>> > -- Configuring incomplete, errors occurred! >>>>>> >> >> >> >> >>>> > See also >>>>>> >> >> >> >> >>>> > "/home/sbinkas/votca/build/CMakeFiles/CMakeOutput.log". >>>>>> >> >> >> >> >>>> > See also >>>>>> >> >> >> >> >>>> > "/home/sbinkas/votca/build/CMakeFiles/CMakeError.log". >>>>>> >> >> >> >> >>>> > >>>>>> >> >> >> >> >>>> > >>>>>> >> >> >> >> >>>> > -- >>>>>> >> >> >> >> >>>> > Join us on Slack: >>>>>> >> >> >> >> >>>> > https://join.slack.com/t/votca/signup >>>>>> >> >> >> >> >>>> > --- >>>>>> >> >> >> >> >>>> > You received this message because you are subscribed >>>>>> >> >> >> >> >>>> > to the Google Groups "votca" group. >>>>>> >> >> >> >> >>>> > To unsubscribe from this group and stop receiving >>>>>> >> >> >> >> >>>> > emails from it, send an email to >>>>>> >> >> >> >> >>>> > [email protected]. >>>>>> >> >> >> >> >>>> > To view this discussion on the web visit >>>>>> >> >> >> >> >>>> > https://groups.google.com/d/msgid/votca/187cdc4c-6526-4716-8532-d60341aec7a1%40googlegroups.com. >>>>>> >> >> >> >> >>>> >>>>>> >> >> >> >> >>>> >>>>>> >> >> >> >> >>>> >>>>>> >> >> >> >> >>>> -- >>>>>> >> >> >> >> >>>> Christoph Junghans >>>>>> >> >> >> >> >>>> Web: http://www.compphys.de >>>>>> >> >> >> >> >>>> >>>>>> >> >> >> >> >>>> -- >>>>>> >> >> >> >> >>>> Join us on Slack: https://join.slack.com/t/votca/signup >>>>>> >> >> >> >> >>>> --- >>>>>> >> >> >> >> >>>> You received this message because you are subscribed to >>>>>> >> >> >> >> >>>> the Google Groups "votca" group. >>>>>> >> >> >> >> >>>> To unsubscribe from this group and stop receiving >>>>>> >> >> >> >> >>>> emails from it, send an email to >>>>>> >> >> >> >> >>>> [email protected]. >>>>>> >> >> >> >> >>>> To view this discussion on the web visit >>>>>> >> >> >> >> >>>> https://groups.google.com/d/msgid/votca/CAHG27e5T9%2BYxURMfUrr8nVyERKqD1yMGGRMONw09eNeUggHNew%40mail.gmail.com. >>>>>> >> >> >> >> >>> >>>>>> >> >> >> >> >>> -- >>>>>> >> >> >> >> >>> Join us on Slack: https://join.slack.com/t/votca/signup >>>>>> >> >> >> >> >>> --- >>>>>> >> >> >> >> >>> You received this message because you are subscribed to >>>>>> >> >> >> >> >>> the Google Groups "votca" group. >>>>>> >> >> >> >> >>> To unsubscribe from this group and stop receiving emails >>>>>> >> >> >> >> >>> from it, send an email to >>>>>> >> >> >> >> >>> [email protected]. >>>>>> >> >> >> >> >>> To view this discussion on the web visit >>>>>> >> >> >> >> >>> https://groups.google.com/d/msgid/votca/CAFwyQHy-N%3DpNKX4tQ-KXSU6Aghh23Af%2Bg_M1pJiAB8KsQAi-UQ%40mail.gmail.com. >>>>>> >> >> >> >> >> >>>>>> >> >> >> >> >> -- >>>>>> >> >> >> >> >> Join us on Slack: https://join.slack.com/t/votca/signup >>>>>> >> >> >> >> >> --- >>>>>> >> >> >> >> >> You received this message because you are subscribed to >>>>>> >> >> >> >> >> the Google Groups "votca" group. >>>>>> >> >> >> >> >> To unsubscribe from this group and stop receiving emails >>>>>> >> >> >> >> >> from it, send an email to >>>>>> >> >> >> >> >> [email protected]. >>>>>> >> >> >> >> >> To view this discussion on the web visit >>>>>> >> >> >> >> >> https://groups.google.com/d/msgid/votca/CAHG27e4RwoWm-NDRSYAZPzycT%3DKAoOnK-HZ8JYVCC0Ej5X_%2BEA%40mail.gmail.com. >>>>>> >> >> >> >> > >>>>>> >> >> >> >> > -- >>>>>> >> >> >> >> > Join us on Slack: https://join.slack.com/t/votca/signup >>>>>> >> >> >> >> > --- >>>>>> >> >> >> >> > You received this message because you are subscribed to >>>>>> >> >> >> >> > the Google Groups "votca" group. >>>>>> >> >> >> >> > To unsubscribe from this group and stop receiving emails >>>>>> >> >> >> >> > from it, send an email to >>>>>> >> >> >> >> > [email protected]. >>>>>> >> >> >> >> > To view this discussion on the web visit >>>>>> >> >> >> >> > https://groups.google.com/d/msgid/votca/CAFwyQHwpcxE%3D%3DZK%3D2Udw9fSFpn3d2rkCk1COVSpY5MaDQ_TpCw%40mail.gmail.com. >>>>>> >> >> >> >> >>>>>> >> >> >> >> >>>>>> >> >> >> >> >>>>>> >> >> >> >> -- >>>>>> >> >> >> >> Christoph Junghans >>>>>> >> >> >> >> Web: http://www.compphys.de >>>>>> >> >> >> >> >>>>>> >> >> >> >> -- >>>>>> >> >> >> >> Join us on Slack: https://join.slack.com/t/votca/signup >>>>>> >> >> >> >> --- >>>>>> >> >> >> >> You received this message because you are subscribed to the >>>>>> >> >> >> >> Google Groups "votca" group. >>>>>> >> >> >> >> To unsubscribe from this group and stop receiving emails >>>>>> >> >> >> >> from it, send an email to [email protected]. >>>>>> >> >> >> >> To view this discussion on the web visit >>>>>> >> >> >> >> https://groups.google.com/d/msgid/votca/CAHG27e7T7i1nF%3DJj_O4aPEJh6JmEomSn_mLn2kRXW9Q_N7fq%2Bg%40mail.gmail.com. >>>>>> >> >> >> > >>>>>> >> >> >> > -- >>>>>> >> >> >> > Join us on Slack: https://join.slack.com/t/votca/signup >>>>>> >> >> >> > --- >>>>>> >> >> >> > You received this message because you are subscribed to the >>>>>> >> >> >> > Google Groups "votca" group. >>>>>> >> >> >> > To unsubscribe from this group and stop receiving emails from >>>>>> >> >> >> > it, send an email to [email protected]. >>>>>> >> >> >> > To view this discussion on the web visit >>>>>> >> >> >> > https://groups.google.com/d/msgid/votca/CAFwyQHzzXw%2ByX-ggrOJpXS7p1y0NoWpYrT658Bky%2B9_UW3Kneg%40mail.gmail.com. >>>>>> >> >> >> >>>>>> >> >> >> >>>>>> >> >> >> >>>>>> >> >> >> -- >>>>>> >> >> >> Christoph Junghans >>>>>> >> >> >> Web: http://www.compphys.de >>>>>> >> >> >> >>>>>> >> >> >> -- >>>>>> >> >> >> Join us on Slack: https://join.slack.com/t/votca/signup >>>>>> >> >> >> --- >>>>>> >> >> >> You received this message because you are subscribed to the >>>>>> >> >> >> Google Groups "votca" group. >>>>>> >> >> >> To unsubscribe from this group and stop receiving emails from >>>>>> >> >> >> it, send an email to [email protected]. >>>>>> >> >> >> To view this discussion on the web visit >>>>>> >> >> >> https://groups.google.com/d/msgid/votca/CAHG27e5bXjZrLsJQUBTRAE3T%2BMs4Unrk3SzCzUp_ZZYCHXXnCA%40mail.gmail.com. >>>>>> >> >> > >>>>>> >> >> > -- >>>>>> >> >> > Join us on Slack: https://join.slack.com/t/votca/signup >>>>>> >> >> > --- >>>>>> >> >> > You received this message because you are subscribed to the >>>>>> >> >> > Google Groups "votca" group. >>>>>> >> >> > To unsubscribe from this group and stop receiving emails from >>>>>> >> >> > it, send an email to [email protected]. >>>>>> >> >> > To view this discussion on the web visit >>>>>> >> >> > https://groups.google.com/d/msgid/votca/CAFwyQHy91W4YdUGKiYrispvdjrfSQhSFHKrWMubs4X8uDGexTQ%40mail.gmail.com. >>>>>> >> >> >>>>>> >> >> >>>>>> >> >> >>>>>> >> >> -- >>>>>> >> >> Christoph Junghans >>>>>> >> >> Web: http://www.compphys.de >>>>>> >> >> >>>>>> >> >> -- >>>>>> >> >> Join us on Slack: https://join.slack.com/t/votca/signup >>>>>> >> >> --- >>>>>> >> >> You received this message because you are subscribed to the Google >>>>>> >> >> Groups "votca" group. >>>>>> >> >> To unsubscribe from this group and stop receiving emails from it, >>>>>> >> >> send an email to [email protected]. >>>>>> >> >> To view this discussion on the web visit >>>>>> >> >> https://groups.google.com/d/msgid/votca/CAHG27e7KT6hGWYuOTO%3DwVTkgpBG9DWQWes7FQ8DmB%3DexmZ0x0g%40mail.gmail.com. >>>>>> >> > >>>>>> >> > -- >>>>>> >> > Join us on Slack: https://join.slack.com/t/votca/signup >>>>>> >> > --- >>>>>> >> > You received this message because you are subscribed to the Google >>>>>> >> > Groups "votca" group. >>>>>> >> > To unsubscribe from this group and stop receiving emails from it, >>>>>> >> > send an email to [email protected]. >>>>>> >> > To view this discussion on the web visit >>>>>> >> > https://groups.google.com/d/msgid/votca/CAFwyQHzq6TrBChPWMEdpKKid8CoLLbb555weSia_SHzx4tX%3D5A%40mail.gmail.com. >>>>>> >> >>>>>> >> >>>>>> >> >>>>>> >> -- >>>>>> >> Christoph Junghans >>>>>> >> Web: http://www.compphys.de >>>>>> >> >>>>>> >> -- >>>>>> >> Join us on Slack: https://join.slack.com/t/votca/signup >>>>>> >> --- >>>>>> >> You received this message because you are subscribed to the Google >>>>>> >> Groups "votca" group. >>>>>> >> To unsubscribe from this group and stop receiving emails from it, >>>>>> >> send an email to [email protected]. >>>>>> >> To view this discussion on the web visit >>>>>> >> https://groups.google.com/d/msgid/votca/CAHG27e7mfQb%2BC5Cfq2RtFtzZiNDHXNeAR8rFqzYq%2BbAg1SGjqw%40mail.gmail.com. >>>>>> > >>>>>> > -- >>>>>> > Join us on Slack: https://join.slack.com/t/votca/signup >>>>>> > --- >>>>>> > You received this message because you are subscribed to the Google >>>>>> > Groups "votca" group. >>>>>> > To unsubscribe from this group and stop receiving emails from it, send >>>>>> > an email to [email protected]. >>>>>> > To view this discussion on the web visit >>>>>> > https://groups.google.com/d/msgid/votca/CAFwyQHy4vWM9Ceaw5scKKeY-fJd0kMBPYziKsLw6qarkNS%3DR9w%40mail.gmail.com. >>>>>> >>>>>> >>>>>> >>>>>> -- >>>>>> Christoph Junghans >>>>>> Web: http://www.compphys.de >>>>>> >>>>>> -- >>>>>> Join us on Slack: https://join.slack.com/t/votca/signup >>>>>> --- >>>>>> You received this message because you are subscribed to the Google >>>>>> Groups "votca" group. >>>>>> To unsubscribe from this group and stop receiving emails from it, send >>>>>> an email to [email protected]. >>>>>> >>>>>> To view this discussion on the web visit >>>>>> https://groups.google.com/d/msgid/votca/CAHG27e4dei82q8VEfajeWidKeRE4m%2BC0h9haLw6j_7qdQ60ixQ%40mail.gmail.com. >>>>> >>>>> -- >>>>> Join us on Slack: https://join.slack.com/t/votca/signup >>>>> --- >>>>> You received this message because you are subscribed to the Google Groups >>>>> "votca" group. >>>>> To unsubscribe from this group and stop receiving emails from it, send an >>>>> email to [email protected]. >>>>> To view this discussion on the web visit >>>>> https://groups.google.com/d/msgid/votca/CAFwyQHyvibXKzOp4e4ig-Lv331HkdZ2X9Titsjvt_ooMiqrQPg%40mail.gmail.com. >>>> >>>> -- >>>> Christoph Junghans >>>> Web: http://www.compphys.de >>>> >>>> -- >>>> Join us on Slack: https://join.slack.com/t/votca/signup >>>> --- >>>> You received this message because you are subscribed to the Google Groups >>>> "votca" group. >>>> To unsubscribe from this group and stop receiving emails from it, send an >>>> email to [email protected]. >>>> >>>> To view this discussion on the web visit >>>> https://groups.google.com/d/msgid/votca/CAHG27e7MxFV6fc2WDU0%3D8%2BL%3D%2B4mgaZr4LZ6APYdEqYmtsmmJpA%40mail.gmail.com. >>> >>> -- >>> Join us on Slack: https://join.slack.com/t/votca/signup >>> --- >>> You received this message because you are subscribed to the Google Groups >>> "votca" group. >>> To unsubscribe from this group and stop receiving emails from it, send an >>> email to [email protected]. >>> To view this discussion on the web visit >>> https://groups.google.com/d/msgid/votca/CAFwyQHym1V1DDWnoqELvtNPbFE%3D%2B7KSTE-RCKM2aVArgF5YdRw%40mail.gmail.com. >> >> -- >> Christoph Junghans >> Web: http://www.compphys.de >> >> -- >> Join us on Slack: https://join.slack.com/t/votca/signup >> --- >> You received this message because you are subscribed to the Google Groups >> "votca" group. >> To unsubscribe from this group and stop receiving emails from it, send an >> email to [email protected]. >> To view this discussion on the web visit >> https://groups.google.com/d/msgid/votca/CAHG27e4gh80z%3DUPL8nydGrEm3QV0HqRzYm7cozObdZJZR1QZLA%40mail.gmail.com. > > -- > Join us on Slack: https://join.slack.com/t/votca/signup > --- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected]. > To view this discussion on the web visit > https://groups.google.com/d/msgid/votca/CAFwyQHyaSDj_y-zCi2h-13P2TtheEAs9TW3J5-XgGNf5awj%3Dxg%40mail.gmail.com. -- Christoph Junghans Web: http://www.compphys.de -- Join us on Slack: https://join.slack.com/t/votca/signup --- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To view this discussion on the web visit https://groups.google.com/d/msgid/votca/CAHG27e4j%2BwMgu%3D-LgKaobWBSQD8domeu9tuEUAZCEXeLw3gsaw%40mail.gmail.com.
