Re: [votca] Installing VOTCA version=master

On Wed, Apr 3, 2019 at 2:01 PM Mohammad Motevaselian wrote: > > You are right, unfortunately, it is not working. So I sourced VOTCARC.bash > and did csg_property --help: > > csg_property: error while loading shared libraries: libacml.so: cannot open > shared object file: No such file or

Re: [votca] Installing VOTCA version=master

You are right, unfortunately, it is not working. So I sourced VOTCARC.bash and did csg_property --help: csg_property: error while loading shared libraries: libacml.so: cannot open shared object file: No such file or directory It seems it still can't find the libacml.so. Below is my final

Re: [votca] Installing VOTCA version=master

Make sure it also runs, e.g. adding "-DENABLE_TESTING=ON" and running "make test". Or at least do a "source VOTCARC.bash; csg_property --help" Christoph On Tue, Apr 2, 2019 at 2:58 PM Mohammad Motevaselian wrote: > > I finally got it installed ! > Next step is to add some codes and changes to

Re: [votca] Installing VOTCA version=master

I finally got it installed ! Next step is to add some codes and changes to the main C++ codes, mainly relative entropy. I will keep you posted if any question pops up. Thanks again for your prompt responses. Sincerely, Hossein On Tuesday, April 2, 2019 at 3:14:22 PM UTC-5, Christoph Junghans

Re: [votca] Installing VOTCA version=master

I guess you don't need ctp, so add -DBUILD_CTP=OFF to your options. You could also try to compile with mkl, with -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON. Christoph On Tue, Apr 2, 2019 at 2:10 PM Mohammad Motevaselian wrote: > > I just specified the BOOST path to the cmake. Also I thought the error

Re: [votca] Installing VOTCA version=master

I just specified the BOOST path to the cmake. Also I thought the error that I just posted was due to the manpages so I set it's flag off and it seemed it was working until I get the following error: /sw/xe/gsl/1.16-2015-04/cnl5.2_gnu4.8.2/include/gsl/gsl_blas_types.h:46:45: error: invalid type

Re: [votca] Installing VOTCA version=master

On Tue, Apr 2, 2019 at 1:48 PM Mohammad Motevaselian wrote: > > Dear Christoph, > Update on installing VOTCA master branch on Blue Waters cluster: > > So I have manged to make the cmake working and figured out the BOOST library > error from "make -j 32" by manually specifying it to the cmake

Re: [votca] Installing VOTCA version=master

Dear Christoph, Update on installing VOTCA master branch on Blue Waters cluster: So I have manged to make the cmake working and figured out the BOOST library error from "make -j 32" by manually specifying it to the cmake command ( which is strange because cmake automatically was able to find

Re: [votca] Installing VOTCA version=master

On Sun, Mar 31, 2019 at 4:30 PM Mohammad Motevaselian wrote: > > So with > -DGROMACS_INCLUDE_DIR=/u/sciteam/motevase/application/gromacs-2019.1/include/ > cmake is able to find the gromacs version, so that is good. > But it gives error for not finding LIB_XTP and the XTP related stuff. I >

Re: [votca] Installing VOTCA version=master

So with -DGROMACS_INCLUDE_DIR=/u/sciteam/motevase/application/gromacs-2019.1/include/ cmake is able to find the gromacs version, so that is good. But it gives error for not finding LIB_XTP and the XTP related stuff. I turned the flag off by using -DBUILD_XTP=OFF and the configuration is done.

Re: [votca] Installing VOTCA version=master

I looked at the original error message again Could NOT find GROMACS: Found unsuitable version "0", but required is at least "2016" (found /u/sciteam/motevase/application/gromacs-2019.1/lib64/libgromacs_mpi.so) It seems the gromacs version could not be detected correctly? Can you try

Re: [votca] Installing VOTCA version=master

Thank for your prompt response. When I looked at the Blue Water's compiling page (https://bluewaters.ncsa.illinois.edu/compiling), they mentioned " ... do NOT use mpicc (for instance) to compile MPI codes, the cc or CC wrapper already contains the proper compiler and library invocations."

Re: [votca] Installing VOTCA version=master

On Sun, Mar 31, 2019 at 14:57 Mohammad Motevaselian < h.motevasel...@gmail.com> wrote: > Hi, > > I am trying to install VOTCA software on Blue waters cluster. Below is my > installation script: > > module swap PrgEnv-cray PrgEnv-gnu > module add cmake/3.9.4 > module add fftw > module add

[votca] Installing VOTCA version=master

Hi, I am trying to install VOTCA software on Blue waters cluster. Below is my installation script: module swap PrgEnv-cray PrgEnv-gnu module add cmake/3.9.4 module add fftw module add boost/1.63.0 module add intel/18.0.3.222 module add cblas export CRAYPE_LINK_TYPE=dynamic export

Re: [votca] Installing VOTCA on windows

2016-10-20 5:44 GMT-06:00 melika vokhshoori : > Dear Users, > I have downloaded the VOTCA csg zip file but I have no idea how to install > the software on windows. Does this software even support windows? I am sorry to tell you that we don't support windows. Your best

[votca] Installing VOTCA on windows

Dear Users, I have downloaded the VOTCA csg zip file but I have no idea how to install the software on windows. Does this software even support windows? I would really appreciate your help here. Thanks, Melika Vokhshoori -- You received this message because you are subscribed to the Google

Re: [votca] Installing VOTCA in OS X 10.11.6

Ok, clean install of all required packages and votca solves the problem. Please disregard the previous post. --Vitaly On Saturday, October 8, 2016 at 1:20:04 PM UTC+2, Vitalie Botan wrote: > > Christoph, > > I got also problems with recent version 1.4rc when compiling on OSX 10.9.5: > > tools are

Re: [votca] Installing VOTCA in OS X 10.11.6

Christoph, I got also problems with recent version 1.4rc when compiling on OSX 10.9.5: tools are compiled and installed smoothly, while csg stops with the following error: In file included from /Volumes/Home/Work/votca/csg/src/tools/csg_fmatch.cc:31: In file included from

Re: [votca] Installing VOTCA in OS X 10.11.6

Yes, I noticed that after post it. I changed directly it in the build.sh file. I found some problems with gsl but realized is related to the installation using make install Then I would recommend to include in the installation guide for OS X, to install using brew install gsl and brew

Re: [votca] Installing VOTCA in OS X 10.11.6

Am 06.10.2016 11:32 schrieb "nancyfor" : > > Dear Christoph, > > For this, > >> sed: -: No such file or directory > >Can you track back where this error is coming from? > > I got the following while debugging > . > . > . > ++ get_version /Users/nancyfor/src/votca/src/./build.sh

Re: [votca] Installing VOTCA in OS X 10.11.6

Dear Christoph, For this, >> sed: -: No such file or directory >Can you track back where this error is coming from? I got the following while debugging . . . ++ get_version /Users/nancyfor/src/votca/src/./build.sh ++ sed -ne 's/^#version[[:space:]]*\([^[:space:]]*\)[[:space:]]*-- .*$/\1/p'

Re: [votca] Installing VOTCA in OS X 10.11.6

2016-10-05 7:40 GMT-06:00 nancyfor : > Hello, > > I am trying to install votca following the installation instructions here: > > https://github.com/votca/csg/wiki/CompilingOSX > > I have installed the dependencies, using the following versions > gsl-2-2 > fftw-3.3.4 >

[votca] Installing VOTCA in OS X 10.11.6

Hello, I am trying to install votca following the installation instructions here: https://github.com/votca/csg/wiki/CompilingOSX I have installed the dependencies, using the following versions gsl-2-2 fftw-3.3.4 boost_1_62_0 cmake 3.6.2 and tried to build it using ./build.sh --prefix $prefix

Re: [votca] installing Votca

2016-10-04 12:50 GMT-06:00 Devon Dillon : > How do i fix this and How can i include missing files like this so it can be > easily addressed in the future? How did you resolve the boost issue? And you only need kmc if ultimately want to install ctp and if that is the case

Re: [votca] installing Votca

How do i fix this and How can i include missing files like this so it can be easily addressed in the future? On Tuesday, October 4, 2016 at 1:49:47 PM UTC-5, Devon Dillon wrote: > > I installed CSG successfully, however kmc now presents an issue > > In file included from >

Re: [votca] installing Votca

i cannot seem to get this resolved... any tips if it is not finding the boost libraries? would i have to reinstall them since i installed cmake3.6.2 -- The following REQUIRED packages have not been found: * Boost (required version >= 1.39.0) -- Configuring incomplete, errors occurred! On

Re: [votca] installing Votca

2016-10-04 8:49 GMT-06:00 Devon Dillon : > Thank you very much! i have run into this error before but did not know how > to go about correcting it. Where do i need to insert the path to my boost > libraries? I know i have them downloaded because i can see them in a finder

Re: [votca] installing Votca

2016-10-04 8:37 GMT-06:00 Devon Dillon : > will this reduce the functionality of my votca program? No, you will just have no manpages! Christoph > > > On Tuesday, October 4, 2016 at 9:11:15 AM UTC-5, Christoph Junghans wrote: >> >> 2016-10-04 7:00 GMT-06:00 Devon Dillon

Re: [votca] installing Votca

2016-10-04 7:00 GMT-06:00 Devon Dillon : > I'm having issues with installing csg. Can someone please point me in the > right direction? > > Scanning dependencies of target csg_fmatch_manpage > > [ 85%] Generating csg_fmatch.man > > dyld: Library not loaded:

[votca] installing Votca

I'm having issues with installing csg. Can someone please point me in the right direction? *Scanning dependencies of target csg_fmatch_manpage* [ 85%] *Generating csg_fmatch.man* dyld: Library not loaded: libvotca_tools.4.dylib Referenced from:

Re: [votca] Installing VOTCA on a cluster SGI

2016-03-11 16:46 GMT-03:00 Christoph Junghans : > 2016-03-11 11:03 GMT-07:00 Tiago Espinosa : > > 1) output: > > > > /home/u/espinosa/test/lib/libvotca_tools.so: /lib64/libc.so.6: version > > `GLIBC_2.14' not found (required by > >

Re: [votca] Installing VOTCA on a cluster SGI

1) output: /home/u/espinosa/test/lib/libvotca_tools.so: /lib64/libc.so.6: version `GLIBC_2.14' not found (required by /home/u/espinosa/test/lib/libvotca_tools.so) linux-vdso.so.1 => (0x7fffa159c000) libboost_program_options.so.1.54.0 => not found libboost_filesystem.so.1.54.0 => not found

Re: [votca] Installing VOTCA on a cluster SGI

I saw the following line in the error log: /usr/lib64/gcc/x86_64-suse-linux/4.3/../../../../x86_64-suse-linux/bin/ld: warni ng: libboost_program_options.so.1.54.0, needed by /home/u/espinosa/test/lib/libvotca_tools.so, not found (try using -rpath or -rpath-link) My guess is that once you load

Re: [votca] Installing VOTCA on a cluster SGI

At the end it says: /home/u/espinosa/test/lib/libvotca_tools.so: undefined reference to `boost::program_options::detail::cmdline::style(int)' That means something went wrong when linking. I guess this might be triggered by a typo in your command. "-Dboost_LIBRARY=" needs to be "-DBoost_LIBRARY="

Re: [votca] Installing VOTCA on a cluster SGI

That looks better, boost got detected correctly! Can you send the CMakeError.log from inside csg (/home/u/espinosa/test/src/csg/CMakeFiles/CMakeError.log)? 2016-03-10 8:12 GMT-07:00 Tiago Espinosa : > Christoph, I did a new try, with a new boost: > > I did: > >

Re: [votca] Installing VOTCA on a cluster SGI

2016-03-09 21:02 GMT-07:00 Tiago Espinosa : > OK, now I change CMakeList.txt: > > cmake_minimum_required(VERSION 2.8.11) > find_package(Boost 1.36.0 REQUIRED COMPONENTS program_options > > version on cluster is 1.36.0 Ok, I see, I guess that is why cmake fails.

Re: [votca] Installing VOTCA on a cluster SGI

OK, now I change CMakeList.txt: cmake_minimum_required(VERSION 2.8.11) find_package(Boost 1.36.0 REQUIRED COMPONENTS program_options version on cluster is 1.36.0 and with these changes the process go a head a little bit more: Log of './build.sh --prefix /home/u/espinosa/test/ --dev tools csg

Re: [votca] Installing VOTCA on a cluster SGI

cmake version 3.2.1 -- 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 votca+unsubscr...@googlegroups.com. To post to this group, send email to votca@googlegroups.com.

Re: [votca] Installing VOTCA on a cluster SGI

2016-03-09 18:20 GMT-07:00 Tiago Espinosa : > Log of './build.sh --prefix /home/u/espinosa/test/ --dev tools csg > -DFFTW3_LIBRARY=/opt/local/intel/fftw-3.3.3/lib/libfftw3.so > -DFFTW3_INCLUDE_DIR=/opt/local/intel/fftw-3.3.3/include/ -DWITH_SQLITE3=NO >

Re: [votca] Installing VOTCA on a cluster SGI

Log of './build.sh --prefix /home/u/espinosa/test/ --dev tools csg -DFFTW3_LIBRARY=/opt/local/intel/fftw-3.3.3/lib/libfftw3.so -DFFTW3_INCLUDE_DIR=/opt/local/intel/fftw-3.3.3/include/ -DWITH_SQLITE3=NO -DGROMACS_INCLUDE_DIR=/opt/local/gromacs-4.5.4/include/

Re: [votca] Installing VOTCA on a cluster SGI

2016-03-09 17:31 GMT-07:00 Tiago Espinosa : > Dear votca users, I'm trying build votca on a SGI cluster: > > build command: ./build.sh --prefix /home/u/espinosa/test/ --dev tools csg > -DFFTW3_LIBRARY=/opt/local/intel/fftw-3.3.3/lib/libfftw3.so >

Re: [votca] Installing VOTCA on a cluster

As you said I ran the command you mentioned. The output was : -bash: /usr/include/boost/boost-1.51.0/include: No such file or directory So I changed the boost path to this one : /usr/local/boost/boost-1.51.0/include/ which is a directiry for the boost. After running again the following command

Re: [votca] Installing VOTCA on a cluster

2014-02-13 11:43 GMT-07:00 Hossein Motevaselian h.motevasel...@gmail.com: As you said I ran the command you mentioned. The output was : -bash: /usr/include/boost/boost-1.51.0/include: No such file or directory So I changed the boost path to this one : /usr/local/boost/boost-1.51.0/include/

Re: [votca] Installing VOTCA on a cluster

By running the $ grep Boost_PR.*LIBR tools/CMakeCache.txt I got the following messages: Boost_PROGRAM_OPTIONS_LIBRARY:FILEPATH=/usr/local/boost/boost-1.51.0/lib/libboost_program_options.so Boost_PROGRAM_OPTIONS_LIBRARY_DEBUG:FILEPATH=Boost_PROGRAM_OPTIONS_LIBRARY_DEBUG-NOTFOUND

Re: [votca] Installing VOTCA on a cluster

2014-02-13 13:18 GMT-07:00 Hossein Motevaselian h.motevasel...@gmail.com: By running the $ grep Boost_PR.*LIBR tools/CMakeCache.txt I got the following messages: Boost_PROGRAM_OPTIONS_LIBRARY:FILEPATH=/usr/local/boost/boost-1.51.0/lib/libboost_program_options.so

[votca] Installing VOTCA on a cluster

Dear VOTCA community, I am trying to install VOTCA on our campus cluster using ./build.sh. I have tried to install VOTCA before , but I did not get this error: CMake Error at CMakeModules/FindBoost.cmake:524 (FILE): file Internal CMake error when trying to open file:

[votca] Installing VOTCA on a cluster

Dear VOTCA community, I am trying to install VOTCA on our campus cluster using ./build.sh. I have tried to install VOTCA before , but I did not get this error: CMake Error at CMakeModules/FindBoost.cmake:524 (FILE): file Internal CMake error when trying to open file:

Re: [votca] Installing VOTCA on a cluster

2014-02-12 17:49 GMT-07:00 Hossein Motevaselian h.motevasel...@gmail.com: Dear VOTCA community, I am trying to install VOTCA on our campus cluster using ./build.sh. I have tried to install VOTCA before , but I did not get this error: CMake Error at CMakeModules/FindBoost.cmake:524 (FILE):

[votca] Installing Votca in linux

Can you send to instructions to install votca in linux. Thanks for help -- You received this message because you are subscribed to the Google Groups votca group. To post to this group, send email to votca@googlegroups.com. To unsubscribe from this group, send email to

Re: [votca] Installing Votca in linux

On Thu, Nov 17, 2011 at 8:22 PM, rp rakheep...@gmail.com wrote: Can you send to instructions to install votca in linux. Thanks for help -- You received this message because you are subscribed to the Google Groups votca group. To post to this group, send email to votca@googlegroups.com.

Re: [votca] Installing votca 64bit-mint

Hi Christoph Thank you by your answer, now it's works fine, my cmake version es 2.8.3. Regards.Marc On Fri, Oct 21, 2011 at 9:55 AM, Christoph Junghans jungh...@votca.org wrote: Hi Marc, [  5%] Built target votca-csg_manpage make[2]: *** No rule to make target `help2t2t', needed by

[votca] Installing votca 64bit-mint

Dear all I follow the installation procedure recommend on webpage, with a few modifications on last line. prefix=/home/marc/votca mkdir -p ${prefix}/src cd ${prefix}/src wget http://votca.googlecode.com/hg/build.sh chmod +x build.sh sudo ./build.sh --prefix ${prefix} -DEXTERNAL_BOOST=OFF

[votca] Installing VOTCA on Centos

Hello again, I am currently trying to install VOTCA onto Centos 5.4, I have mercurial installed cmake. When running I get the following: ./build.sh --prefix ${prefix} tools csg This is VOTCA build.sh, version 1.7.1 prefix is '/opt/votca' Using 5 jobs for make Working on tools Doing checkout

Re: [votca] Installing VOTCA on a user directory

Dear Nikos, did you use pkgconfig to get all the gsl flags? (set PKG_CONFIG_PATH) to the installed location where the .pc file ist? libgsl has additional dependencies, if you specify the flags by hand, you have to add these as well. In your case cblas is missing (see undefined reference in

Re: [votca] Installing VOTCA on a user directory

Hi Nikos, Victor is absolutely right. GSL has two libraries. A look in your config.log shows somethings like: /opt/apps/gsl/1.13/lib/libgsl.so: undefined reference to `cblas_ctrmv' The flags of gsl when building votca-tools have to look somehow like: GSL_LIBS=-L/opt/apps/gsl/1.13/lib -lgsl

[votca] Installing VOTCA on a user directory

Hello, I am trying to install VOTCA 1.1 on a guest machine for which I don't have root access and I am using $HOME/votca as the directory. Unfortunately, build.sh quits immediately after its initial countdown with a 404 HTTP error. Since this error occurs only on the specific machine, I tried to

Re: [votca] Installing VOTCA on a user directory

Hello Christoph, Thank you for your quick response. I have the latest version of build.sh and setting the http_proxy on ~/.hgrc did not solve the problem. In the output that I sent before checking for votca::tools::ToolsVersionStr in -L$HOME/votca/lib -lvotca_tools... no configure: error I had