[votca] Re: Installing Votca in linux
Thanks for the suggestions. I recompiled and finally ran ./build.sh -DWITH_SQLITE3=OFF --prefix ${prefix} tools csg This completed with statement done with csg Do I need to install the tools separately. Rakhee On Feb 15, 5:53 pm, Christoph Junghans jungh...@votca.org wrote: Am 15. Februar 2012 13:39 schrieb Rakhee Pani rakheep...@gmail.com: I am getting some error message related to fftw libraries . 91%] Building CXX object src/libtools/CMakeFiles/votca_tools.dir/parsexml.cc.o [ 95%] Building CXX object src/libtools/CMakeFiles/votca_tools.dir/crosscorrelate.cc.o Linking CXX shared library libvotca_tools.so /usr/bin/ld: /usr/local/lib/libfftw3.a(mapflags.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC /usr/local/lib/libfftw3.a: could not read symbols: Bad value This is the good old shared vs. static linking issue. Search our mailing list for R_X86_64_32 to find the details, but in short the solution is to reconfigure and recompile fftw3 with --enable-shared. Christoph collect2: ld returned 1 exit status make[2]: *** [src/libtools/libvotca_tools.so.3] Error 1 make[1]: *** [src/libtools/CMakeFiles/votca_tools.dir/all] Error 2 make: *** [all] Error 2 Thanks Rakhee On Wed, Feb 15, 2012 at 3:23 PM, Christoph Junghans jungh...@votca.org wrote: Am 15. Februar 2012 12:47 schrieb Rakhee Pani rakheep...@gmail.com: Following my previous message on installation of votca in ubuntu .I fullfilled all dependencies and I still get an error message which is as below .Should I use the --insecure in command line . sudo ./build.sh --prefix ${prefix} tools csg This is VOTCA build.sh, version 1.8.1 Install prefix is '/usr/local/bin' Using 5 jobs for make Working on tools Doing checkout for tools fromhttps://tools.votca.googlecode.com/hg/ (CTRL-C to stop) 5 4 3 2 1 abort: tools.votca.googlecode.com certificate error: certificate is for *.googlecode.com, *.u.googlecode.com, googlecode.com, *.codespot.com, *.googlesource.com, googlesource.com (use --insecure to connect insecurely) If have added a fix in the buildutil, please update. Christoph Thanks All Rakhee On Sun, Dec 18, 2011 at 11:09 AM, Christoph Junghans jungh...@votca.org wrote: Am 17. Dezember 2011 17:56 schrieb rp rakheep...@gmail.com: Below is the CMakeError.log file , as mentioned using -DWITH_FFTW=NO will lead to reduced functionality , will this option disable certain tools.Again if I try -DFFTW3_LIBRARY='/path/to/libfftw3.so' with ./build.sh , do I need to replace /path/to with the place where fftw library files are installed. Yes! In your last email, it said fftw was found, but some went wrong later. Please post the end of that CMakeError.log. Disabling fftw will only remove the ability to calculate correlation functions. Determining if the function pthread_create exists in the pthreads failed with the following output: Change Dir: /home/rp/src/tools/CMakeFiles/CMakeTmp Run Build Command:/usr/bin/make cmTryCompileExec/fast /usr/bin/make -f CMakeFiles/cmTryCompileExec.dir/build.make CMakeFiles/ cmTryCompileExec.dir/build make[1]: Entering directory `/home/rp/src/tools/CMakeFiles/CMakeTmp' /usr/local/bin/cmake -E cmake_progress_report /home/rp/src/tools/ CMakeFiles/CMakeTmp/CMakeFiles 1 Building C object CMakeFiles/cmTryCompileExec.dir/ CheckFunctionExists.c.o /usr/bin/gcc -DCHECK_FUNCTION_EXISTS=pthread_create -o CMakeFiles/ cmTryCompileExec.dir/CheckFunctionExists.c.o -c /usr/local/share/ cmake-2.8/Modules/CheckFunctionExists.c Linking C executable cmTryCompileExec /usr/local/bin/cmake -E cmake_link_script CMakeFiles/ cmTryCompileExec.dir/link.txt --verbose=1 /usr/bin/gcc -DCHECK_FUNCTION_EXISTS=pthread_create CMakeFiles/ cmTryCompileExec.dir/CheckFunctionExists.c.o -o cmTryCompileExec - rdynamic -lpthreads /usr/bin/ld: cannot find -lpthreads collect2: ld returned 1 exit status make[1]: Leaving directory `/home/rakhee/src/tools/CMakeFiles/ CMakeTmp' make[1]: *** [cmTryCompileExec] Error 1 make: *** [cmTryCompileExec/fast] Error 2 Determining if the function pthread_create exists in the pthreads failed with the following output: Change Dir: /home/rakhee/src/tools/CMakeFiles/CMakeTmp Run Build Command:/usr/bin/make cmTryCompileExec/fast /usr/bin/make -f CMakeFiles/cmTryCompileExec.dir/build.make CMakeFiles/ cmTryCompileExec.dir/build make[1]: Entering directory `/home/rp/src/tools/CMakeFiles/CMakeTmp' /usr/local/bin/cmake -E cmake_progress_report /home/rakhee/src/tools/ CMakeFiles/CMakeTmp/CMakeFiles 1 Building C object CMakeFiles/cmTryCompileExec.dir/ CheckFunctionExists.c.o /usr/bin/gcc -DCHECK_FUNCTION_EXISTS=pthread_create -o CMakeFiles
[votca] Coarse grained interactions
Dear Votca Users, I have my atomistic simulations done in using AMBER MD suite. In the Votca manual this mention on use of GROMACS trajectory and input file. I want derive the non bonded potentials using iterative Boltzmann inversion and bonded interactions using potential of mean force of the CG degrees of freedom. Can anyone give me some more information on the input files required for the procedure or where I can find some related examples. Can I work with the parameter and coordinate files used by AMBER. Thanks for suggestions Rakhee -- 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 votca+unsubscr...@googlegroups.com. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
[votca] Re: Installing Votca in linux
I installed all dependencies and ,get an error as below .Can you tell me where am I going wrong. checking for module 'fftw3' -- found fftw3, version 3.3 -- Found FFTW3: /usr/local/lib/libfftw3.a -- Looking for fftw_plan_r2r_1d in /usr/local/lib/libfftw3.a -- Looking for fftw_plan_r2r_1d in /usr/local/lib/libfftw3.a - not found CMake Error at CMakeModules/FindFFTW3.cmake:43 (message): Could not find fftw_plan_r2r_1d in /usr/local/lib/libfftw3.a, take a look at the error message in /home/rp/src/tools/CMakeFiles/CMakeError.log to find out what was going wrong. If you don't have pkg-config installed you will most likely have to set FFTW3_LIBRARY by hand (i.e. -DFFTW3_LIBRARY='/path/to/libfftw3.so') ! Call Stack (most recent call first): src/libtools/CMakeLists.txt:11 (find_package) -- Configuring incomplete, errors occurred! Thanks, I appreciate On Dec 16, 11:24 am, Christoph Junghans jungh...@votca.org wrote: Please read: http://code.google.com/p/votca/wiki/Installing#From_Source As described there, you need to add: -DEXTERNAL_BOOST=OFF to the commandline of build.sh, e.g. ./build.sh -DEXTERNAL_BOOST=OFF tools csg Alternatively, you could install boost and its dev package, see: http://code.google.com/p/votca/wiki/Dependencies Christoph Am 15. Dezember 2011 23:25 schrieb rp rakheep...@gmail.com: Following my previous message I reinstalled cmake and tried the steps again to configure votca, this provides me with a different error as below Looking for sqrt in m - found-- Could NOT find BoostCMake Error at src/ CMakeLists.txt:5 (message): Boost not found, make sure you have also installed boost and it's dev package or use our internal replacement set -DEXTERNAL_BOOST=OFF -- Configuring incomplete, errors occurred! Can someone tell me how can I turn DEEXTERNAL_BOOST=OFF Thanks On Dec 15, 10:35 pm, rp rakheep...@gmail.com wrote: This is what I get after the command line + shift + [[ -prefix = -* ]] + [[ -prefix = --*=* ]] + [[ -prefix = -[^-]?* ]] + [[ -prefix = -[jpD]* ]] + set -- -p refix --latest tools csg + case $1 in + prefix=refix + shift 2 + [[ --latest = -* ]] + [[ --latest = --*=* ]] + [[ --latest = -[^-]?* ]] + case $1 in + rel=1.2.1 + shift + [[ tools = -* ]] + version_check -q ++ get_version ./build.sh ++ sed -ne 's/^#version[[:space:]]*\([^[:space:]]*\)[[:space:]]*-- .*$/ \1/p' ./build.sh ++ sed -n '$p' + old_version=1.7.8 + '[' -q = -q ']' ++ get_webversion -q ++ local version ++ '[' -q = -q ']' +++ wget -qO-http://votca.googlecode.com/hg/build.sh +++ get_version +++ sed -ne 's/^#version[[:space:]]*\([^[:space:]]*\)[[:space:]]*-- .* $/\1/p' +++ sed -n '$p' ++ version=1.7.8 ++ echo 1.7.8 + new_version=1.7.8 + '[' -q = -q ']' + '[' -q = -q ']' + expr 1.7.8 '' 1.7.8 + return 1 + [[ -z tools ]] + [[ -z refix ]] + [[ refix = *WHERE/TO/INSTALL/VOTCA* ]] + [[ refix = /* ]] + die 'prefix has to be a global path (should start with a '\''/'\'')' + [[ -n prefix has to be a global path (should start with a '/') ]] + cecho RED 'prefix has to be a global path (should start with a '\''/'\'')' + local opts color 'colors=BLUE CYAN CYANN GREEN RED PURP' + [[ RED = -?* ]] + [[ -z prefix has to be a global path (should start with a '/') ]] + is_in RED 'BLUE CYAN CYANN GREEN RED PURP' + [[ -z RED ]] + [[ -z BLUE CYAN CYANN GREEN RED PURP ]] + [[ BLUE CYAN CYANN GREEN RED PURP = *\ \R\E\D\ * ]] + color='' + shift + echo -n '' + echo -ne 'prefix has to be a global path (should start with a '\''/'\'')' prefix has to be a global path (should start with a '/')+ echo '' + exit 1 Thanks for your time. I appreciate On Dec 15, 10:00 pm, Christoph Junghans jungh...@votca.org wrote: Just run: $ ./build.sh --debug -prefix ${prefix} --latest tools csg Am 15. Dezember 2011 19:46 schrieb rp rakheep...@gmail.com: This is cmake 2.8.6 and I am installing votca in Ubuntu11.10. After installing cmake there is no error . Where should I add the debug option , please explain I am installing votca-csg-1.2.1 . I want to make this clarification , I was using REDhat linux previously , now I am trying to do this in Ubuntu .I read the Votca installation page and this says Ubuntu is still in development . I am sorry if my question is not clear. I appreciate your help Thanks On Dec 15, 7:50 pm, Christoph Junghans jungh...@votca.org wrote: Hi rp, which version of cmake is it? $cmake --version Please add the '--debug' option and attach the output. Cheers, Christoph Am 15. Dezember 2011 11:42 schrieb rp rakheep...@gmail.com: Dear Users,I get the following error while installing cmake not found , below are some lines. Then I installed cmake and tried again so this send me the error as prefix shoudl start with / as this is global path . I
[votca] Re: Installing Votca in linux
Below is the CMakeError.log file , as mentioned using -DWITH_FFTW=NO will lead to reduced functionality , will this option disable certain tools.Again if I try -DFFTW3_LIBRARY='/path/to/libfftw3.so' with ./build.sh , do I need to replace /path/to with the place where fftw library files are installed. Determining if the function pthread_create exists in the pthreads failed with the following output: Change Dir: /home/rp/src/tools/CMakeFiles/CMakeTmp Run Build Command:/usr/bin/make cmTryCompileExec/fast /usr/bin/make -f CMakeFiles/cmTryCompileExec.dir/build.make CMakeFiles/ cmTryCompileExec.dir/build make[1]: Entering directory `/home/rp/src/tools/CMakeFiles/CMakeTmp' /usr/local/bin/cmake -E cmake_progress_report /home/rp/src/tools/ CMakeFiles/CMakeTmp/CMakeFiles 1 Building C object CMakeFiles/cmTryCompileExec.dir/ CheckFunctionExists.c.o /usr/bin/gcc -DCHECK_FUNCTION_EXISTS=pthread_create -o CMakeFiles/ cmTryCompileExec.dir/CheckFunctionExists.c.o -c /usr/local/share/ cmake-2.8/Modules/CheckFunctionExists.c Linking C executable cmTryCompileExec /usr/local/bin/cmake -E cmake_link_script CMakeFiles/ cmTryCompileExec.dir/link.txt --verbose=1 /usr/bin/gcc -DCHECK_FUNCTION_EXISTS=pthread_createCMakeFiles/ cmTryCompileExec.dir/CheckFunctionExists.c.o -o cmTryCompileExec - rdynamic -lpthreads /usr/bin/ld: cannot find -lpthreads collect2: ld returned 1 exit status make[1]: Leaving directory `/home/rakhee/src/tools/CMakeFiles/ CMakeTmp' make[1]: *** [cmTryCompileExec] Error 1 make: *** [cmTryCompileExec/fast] Error 2 Determining if the function pthread_create exists in the pthreads failed with the following output: Change Dir: /home/rakhee/src/tools/CMakeFiles/CMakeTmp Run Build Command:/usr/bin/make cmTryCompileExec/fast /usr/bin/make -f CMakeFiles/cmTryCompileExec.dir/build.make CMakeFiles/ cmTryCompileExec.dir/build make[1]: Entering directory `/home/rp/src/tools/CMakeFiles/CMakeTmp' /usr/local/bin/cmake -E cmake_progress_report /home/rakhee/src/tools/ CMakeFiles/CMakeTmp/CMakeFiles 1 Building C object CMakeFiles/cmTryCompileExec.dir/ CheckFunctionExists.c.o /usr/bin/gcc -DCHECK_FUNCTION_EXISTS=pthread_create -o CMakeFiles/ cmTryCompileExec.dir/CheckFunctionExists.c.o -c /usr/local/share/ cmake-2.8/Modules/CheckFunctionExists.c Linking C executable cmTryCompileExec /usr/local/bin/cmake -E cmake_link_script CMakeFiles/ cmTryCompileExec.dir/link.txt --verbose=1 /usr/bin/gcc -DCHECK_FUNCTION_EXISTS=pthread_createCMakeFiles/ cmTryCompileExec.dir/CheckFunctionExists.c.o -o cmTryCompileExec - rdynamic -lpthreads /usr/bin/ld: cannot find -lpthreads collect2: ld returned 1 exit status make[1]: *** [cmTryCompileExec] Error 1 make[1]: Leaving directory `/home/rp/src/tools/CMakeFiles/CMakeTmp' make: *** [cmTryCompileExec/fast] Error 2 Determining if the function pthread_create exists in the pthreads failed with the following output: Change Dir: /home/rp/src/tools/CMakeFiles/CMakeTmp Run Build Command:/usr/bin/make cmTryCompileExec/fast /usr/bin/make -f CMakeFiles/cmTryCompileExec.dir/build.make CMakeFiles/ cmTryCompileExec.dir/build make[1]: Entering directory `/home/rp/src/tools/CMakeFiles/CMakeTmp' /usr/local/bin/cmake -E cmake_progress_report /home/rakhee/src/tools/ CMakeFiles/CMakeTmp/CMakeFiles 1 Building C object CMakeFiles/cmTryCompileExec.dir/ CheckFunctionExists.c.o /usr/bin/gcc -DCHECK_FUNCTION_EXISTS=pthread_create -o CMakeFiles/ cmTryCompileExec.dir/CheckFunctionExists.c.o -c /usr/local/share/ cmake-2.8/Modules/CheckFunctionExists.c Linking C executable cmTryCompileExec /usr/local/bin/cmake -E cmake_link_script CMakeFiles/ cmTryCompileExec.dir/link.txt --verbose=1 /usr/bin/gcc -DCHECK_FUNCTION_EXISTS=pthread_createCMakeFiles/ cmTryCompileExec.dir/CheckFunctionExists.c.o -o cmTryCompileExec - rdynamic -lpthreads /usr/bin/ld: cannot find -lpthreads collect2: ld returned 1 exit status make[1]: *** [cmTryCompileExec] Error 1 make[1]: Leaving directory `/home/rp/src/tools/CMakeFiles/CMakeTmp' make: *** [cmTryCompileExec/fast] Error 2 Determining if the function pthread_create exists in the pthreads failed with the following output: Change Dir: /home/rakhee/src/tools/CMakeFiles/CMakeTmp Run Build Command:/usr/bin/make cmTryCompileExec/fast /usr/bin/make -f CMakeFiles/cmTryCompileExec.dir/build.make CMakeFiles/ cmTryCompileExec.dir/build make[1]: Entering directory `/home/rp/src/tools/CMakeFiles/CMakeTmp' /usr/local/bin/cmake -E cmake_progress_report /home/rakhee/src/tools/ CMakeFiles/CMakeTmp/CMakeFiles 1 Building C object CMakeFiles/cmTryCompileExec.dir/ CheckFunctionExists.c.o /usr/bin/gcc -DCHECK_FUNCTION_EXISTS=pthread_create -o CMakeFiles/ cmTryCompileExec.dir/CheckFunctionExists.c.o -c /usr/local/share/ cmake-2.8/Modules/CheckFunctionExists.c Linking C executable cmTryCompileExec /usr/local/bin/cmake -E cmake_link_script CMakeFiles/ cmTryCompileExec.dir/link.txt --verbose=1 /usr/bin/gcc -DCHECK_FUNCTION_EXISTS=pthread_createCMakeFiles
[votca] Re: Installing Votca in linux
Dear Users,I get the following error while installing cmake not found , below are some lines. Then I installed cmake and tried again so this send me the error as prefix shoudl start with / as this is global path . I used as ./build.sh -prefix ${prefix} --latest tools csg Using 9 jobs for makeWorking on toolsDownload tarball votca- tools-1.2.1.tar.gz from http://votca.googlecode.com/files/votca-tools-1.2.1.tar.gz--2011-12-15 13:26:17-- http://votca.googlecode.com/files/votca- tools-1.2.1.tar.gzResolving votca.googlecode.com... 74.125.65.82Connecting to votca.googlecode.com|74.125.65.82|:80... connected.HTTP request sent, awaiting response... 200 OKLength: 961500 (939K) [application/x-gzip]Saving to: `votca-tools-1.2.1.tar.gz' 100%[==] 961,500 2.16M/s in 0.4s 2011-12-15 13:26:18 (2.16 MB/s) - `votca-tools-1.2.1.tar.gz' saved [961500/961500] cmake not found Thanks for any suggestions On Nov 17, 4:17 pm, Marc Segovia marcsego...@gmail.com wrote: Hi Provided you have dependecies fine, follow the steps prefix=WHERE/TO/INSTALL/VOTCA mkdir -p ${prefix}/src cd ${prefix}/src wgethttp://votca.googlecode.com/hg/build.sh chmod +x build.sh ./build.sh --prefix ${prefix} tools csg maybe you can add gromacs on last line, like this ./build.sh --prefix ${prefix} gromacs tools csg regards Marc Universidad de la Republica Uruguay On Thu, Nov 17, 2011 at 7:01 PM, rp rakheep...@gmail.com wrote: Yes I have seen this installation page . I downloaded Votca and would like to know how should I go about installing thisin a linux box or in linux cluster. Thanks On Nov 17, 3:38 pm, Konstantin Koschke konstantin.kosc...@gmail.com wrote: 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. To unsubscribe from this group, send email to votca+unsubscr...@googlegroups.com. For more options, visit this group athttp://groups.google.com/group/votca?hl=en. Dear rp, please be a bit more precise with your problem. Did you try followinghttp://code.google.com/p/votca/wiki/Installing? cheers, konstantin -- 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 votca+unsubscr...@googlegroups.com. For more options, visit this group athttp://groups.google.com/group/votca?hl=en. -- 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 votca+unsubscr...@googlegroups.com. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
[votca] Re: Installing Votca in linux
This is cmake 2.8.6 and I am installing votca in Ubuntu11.10. After installing cmake there is no error . Where should I add the debug option , please explain I am installing votca-csg-1.2.1 . I want to make this clarification , I was using REDhat linux previously , now I am trying to do this in Ubuntu .I read the Votca installation page and this says Ubuntu is still in development . I am sorry if my question is not clear. I appreciate your help Thanks On Dec 15, 7:50 pm, Christoph Junghans jungh...@votca.org wrote: Hi rp, which version of cmake is it? $cmake --version Please add the '--debug' option and attach the output. Cheers, Christoph Am 15. Dezember 2011 11:42 schrieb rp rakheep...@gmail.com: Dear Users,I get the following error while installing cmake not found , below are some lines. Then I installed cmake and tried again so this send me the error as prefix shoudl start with / as this is global path . I used as ./build.sh -prefix ${prefix} --latest tools csg Using 9 jobs for makeWorking on toolsDownload tarball votca- tools-1.2.1.tar.gz fromhttp://votca.googlecode.com/files/votca-tools-1.2.1.tar.gz--2011-12-15 13:26:17-- http://votca.googlecode.com/files/votca- tools-1.2.1.tar.gzResolving votca.googlecode.com... 74.125.65.82Connecting to votca.googlecode.com|74.125.65.82|:80... connected.HTTP request sent, awaiting response... 200 OKLength: 961500 (939K) [application/x-gzip]Saving to: `votca-tools-1.2.1.tar.gz' 100%[==] 961,500 2.16M/s in 0.4s 2011-12-15 13:26:18 (2.16 MB/s) - `votca-tools-1.2.1.tar.gz' saved [961500/961500] cmake not found Thanks for any suggestions On Nov 17, 4:17 pm, Marc Segovia marcsego...@gmail.com wrote: Hi Provided you have dependecies fine, follow the steps prefix=WHERE/TO/INSTALL/VOTCA mkdir -p ${prefix}/src cd ${prefix}/src wgethttp://votca.googlecode.com/hg/build.sh chmod +x build.sh ./build.sh --prefix ${prefix} tools csg maybe you can add gromacs on last line, like this ./build.sh --prefix ${prefix} gromacs tools csg regards Marc Universidad de la Republica Uruguay On Thu, Nov 17, 2011 at 7:01 PM, rp rakheep...@gmail.com wrote: Yes I have seen this installation page . I downloaded Votca and would like to know how should I go about installing thisin a linux box or in linux cluster. Thanks On Nov 17, 3:38 pm, Konstantin Koschke konstantin.kosc...@gmail.com wrote: 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. To unsubscribe from this group, send email to votca+unsubscr...@googlegroups.com. For more options, visit this group athttp://groups.google.com/group/votca?hl=en. Dear rp, please be a bit more precise with your problem. Did you try followinghttp://code.google.com/p/votca/wiki/Installing? cheers, konstantin -- 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 votca+unsubscr...@googlegroups.com. For more options, visit this group athttp://groups.google.com/group/votca?hl=en. -- 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 votca+unsubscr...@googlegroups.com. For more options, visit this group athttp://groups.google.com/group/votca?hl=en. -- Christoph Junghans Web:http://www.compphys.de -- 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 votca+unsubscr...@googlegroups.com. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
[votca] Re: Installing Votca in linux
This is what I get after the command line + shift + [[ -prefix = -* ]] + [[ -prefix = --*=* ]] + [[ -prefix = -[^-]?* ]] + [[ -prefix = -[jpD]* ]] + set -- -p refix --latest tools csg + case $1 in + prefix=refix + shift 2 + [[ --latest = -* ]] + [[ --latest = --*=* ]] + [[ --latest = -[^-]?* ]] + case $1 in + rel=1.2.1 + shift + [[ tools = -* ]] + version_check -q ++ get_version ./build.sh ++ sed -ne 's/^#version[[:space:]]*\([^[:space:]]*\)[[:space:]]*-- .*$/ \1/p' ./build.sh ++ sed -n '$p' + old_version=1.7.8 + '[' -q = -q ']' ++ get_webversion -q ++ local version ++ '[' -q = -q ']' +++ wget -qO- http://votca.googlecode.com/hg/build.sh +++ get_version +++ sed -ne 's/^#version[[:space:]]*\([^[:space:]]*\)[[:space:]]*-- .* $/\1/p' +++ sed -n '$p' ++ version=1.7.8 ++ echo 1.7.8 + new_version=1.7.8 + '[' -q = -q ']' + '[' -q = -q ']' + expr 1.7.8 '' 1.7.8 + return 1 + [[ -z tools ]] + [[ -z refix ]] + [[ refix = *WHERE/TO/INSTALL/VOTCA* ]] + [[ refix = /* ]] + die 'prefix has to be a global path (should start with a '\''/'\'')' + [[ -n prefix has to be a global path (should start with a '/') ]] + cecho RED 'prefix has to be a global path (should start with a '\''/'\'')' + local opts color 'colors=BLUE CYAN CYANN GREEN RED PURP' + [[ RED = -?* ]] + [[ -z prefix has to be a global path (should start with a '/') ]] + is_in RED 'BLUE CYAN CYANN GREEN RED PURP' + [[ -z RED ]] + [[ -z BLUE CYAN CYANN GREEN RED PURP ]] + [[ BLUE CYAN CYANN GREEN RED PURP = *\ \R\E\D\ * ]] + color='' + shift + echo -n '' + echo -ne 'prefix has to be a global path (should start with a '\''/'\'')' prefix has to be a global path (should start with a '/')+ echo '' + exit 1 Thanks for your time. I appreciate On Dec 15, 10:00 pm, Christoph Junghans jungh...@votca.org wrote: Just run: $ ./build.sh --debug -prefix ${prefix} --latest tools csg Am 15. Dezember 2011 19:46 schrieb rp rakheep...@gmail.com: This is cmake 2.8.6 and I am installing votca in Ubuntu11.10. After installing cmake there is no error . Where should I add the debug option , please explain I am installing votca-csg-1.2.1 . I want to make this clarification , I was using REDhat linux previously , now I am trying to do this in Ubuntu .I read the Votca installation page and this says Ubuntu is still in development . I am sorry if my question is not clear. I appreciate your help Thanks On Dec 15, 7:50 pm, Christoph Junghans jungh...@votca.org wrote: Hi rp, which version of cmake is it? $cmake --version Please add the '--debug' option and attach the output. Cheers, Christoph Am 15. Dezember 2011 11:42 schrieb rp rakheep...@gmail.com: Dear Users,I get the following error while installing cmake not found , below are some lines. Then I installed cmake and tried again so this send me the error as prefix shoudl start with / as this is global path . I used as ./build.sh -prefix ${prefix} --latest tools csg Using 9 jobs for makeWorking on toolsDownload tarball votca- tools-1.2.1.tar.gz fromhttp://votca.googlecode.com/files/votca-tools-1.2.1.tar.gz--2011-12-15 13:26:17-- http://votca.googlecode.com/files/votca- tools-1.2.1.tar.gzResolving votca.googlecode.com... 74.125.65.82Connecting to votca.googlecode.com|74.125.65.82|:80... connected.HTTP request sent, awaiting response... 200 OKLength: 961500 (939K) [application/x-gzip]Saving to: `votca-tools-1.2.1.tar.gz' 100%[==] 961,500 2.16M/s in 0.4s 2011-12-15 13:26:18 (2.16 MB/s) - `votca-tools-1.2.1.tar.gz' saved [961500/961500] cmake not found Thanks for any suggestions On Nov 17, 4:17 pm, Marc Segovia marcsego...@gmail.com wrote: Hi Provided you have dependecies fine, follow the steps prefix=WHERE/TO/INSTALL/VOTCA mkdir -p ${prefix}/src cd ${prefix}/src wgethttp://votca.googlecode.com/hg/build.sh chmod +x build.sh ./build.sh --prefix ${prefix} tools csg maybe you can add gromacs on last line, like this ./build.sh --prefix ${prefix} gromacs tools csg regards Marc Universidad de la Republica Uruguay On Thu, Nov 17, 2011 at 7:01 PM, rp rakheep...@gmail.com wrote: Yes I have seen this installation page . I downloaded Votca and would like to know how should I go about installing thisin a linux box or in linux cluster. Thanks On Nov 17, 3:38 pm, Konstantin Koschke konstantin.kosc...@gmail.com wrote: 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. To unsubscribe from this group, send email to votca+unsubscr...@googlegroups.com. For more options, visit this group athttp://groups.google.com/group/votca?hl=en
[votca] Re: Installing Votca in linux
Following my previous message I reinstalled cmake and tried the steps again to configure votca, this provides me with a different error as below Looking for sqrt in m - found-- Could NOT find BoostCMake Error at src/ CMakeLists.txt:5 (message): Boost not found, make sure you have also installed boost and it's dev package or use our internal replacement set -DEXTERNAL_BOOST=OFF -- Configuring incomplete, errors occurred! Can someone tell me how can I turn DEEXTERNAL_BOOST=OFF Thanks On Dec 15, 10:35 pm, rp rakheep...@gmail.com wrote: This is what I get after the command line + shift + [[ -prefix = -* ]] + [[ -prefix = --*=* ]] + [[ -prefix = -[^-]?* ]] + [[ -prefix = -[jpD]* ]] + set -- -p refix --latest tools csg + case $1 in + prefix=refix + shift 2 + [[ --latest = -* ]] + [[ --latest = --*=* ]] + [[ --latest = -[^-]?* ]] + case $1 in + rel=1.2.1 + shift + [[ tools = -* ]] + version_check -q ++ get_version ./build.sh ++ sed -ne 's/^#version[[:space:]]*\([^[:space:]]*\)[[:space:]]*-- .*$/ \1/p' ./build.sh ++ sed -n '$p' + old_version=1.7.8 + '[' -q = -q ']' ++ get_webversion -q ++ local version ++ '[' -q = -q ']' +++ wget -qO-http://votca.googlecode.com/hg/build.sh +++ get_version +++ sed -ne 's/^#version[[:space:]]*\([^[:space:]]*\)[[:space:]]*-- .* $/\1/p' +++ sed -n '$p' ++ version=1.7.8 ++ echo 1.7.8 + new_version=1.7.8 + '[' -q = -q ']' + '[' -q = -q ']' + expr 1.7.8 '' 1.7.8 + return 1 + [[ -z tools ]] + [[ -z refix ]] + [[ refix = *WHERE/TO/INSTALL/VOTCA* ]] + [[ refix = /* ]] + die 'prefix has to be a global path (should start with a '\''/'\'')' + [[ -n prefix has to be a global path (should start with a '/') ]] + cecho RED 'prefix has to be a global path (should start with a '\''/'\'')' + local opts color 'colors=BLUE CYAN CYANN GREEN RED PURP' + [[ RED = -?* ]] + [[ -z prefix has to be a global path (should start with a '/') ]] + is_in RED 'BLUE CYAN CYANN GREEN RED PURP' + [[ -z RED ]] + [[ -z BLUE CYAN CYANN GREEN RED PURP ]] + [[ BLUE CYAN CYANN GREEN RED PURP = *\ \R\E\D\ * ]] + color='' + shift + echo -n '' + echo -ne 'prefix has to be a global path (should start with a '\''/'\'')' prefix has to be a global path (should start with a '/')+ echo '' + exit 1 Thanks for your time. I appreciate On Dec 15, 10:00 pm, Christoph Junghans jungh...@votca.org wrote: Just run: $ ./build.sh --debug -prefix ${prefix} --latest tools csg Am 15. Dezember 2011 19:46 schrieb rp rakheep...@gmail.com: This is cmake 2.8.6 and I am installing votca in Ubuntu11.10. After installing cmake there is no error . Where should I add the debug option , please explain I am installing votca-csg-1.2.1 . I want to make this clarification , I was using REDhat linux previously , now I am trying to do this in Ubuntu .I read the Votca installation page and this says Ubuntu is still in development . I am sorry if my question is not clear. I appreciate your help Thanks On Dec 15, 7:50 pm, Christoph Junghans jungh...@votca.org wrote: Hi rp, which version of cmake is it? $cmake --version Please add the '--debug' option and attach the output. Cheers, Christoph Am 15. Dezember 2011 11:42 schrieb rp rakheep...@gmail.com: Dear Users,I get the following error while installing cmake not found , below are some lines. Then I installed cmake and tried again so this send me the error as prefix shoudl start with / as this is global path . I used as ./build.sh -prefix ${prefix} --latest tools csg Using 9 jobs for makeWorking on toolsDownload tarball votca- tools-1.2.1.tar.gz fromhttp://votca.googlecode.com/files/votca-tools-1.2.1.tar.gz--2011-12-15 13:26:17-- http://votca.googlecode.com/files/votca- tools-1.2.1.tar.gzResolving votca.googlecode.com... 74.125.65.82Connecting to votca.googlecode.com|74.125.65.82|:80... connected.HTTP request sent, awaiting response... 200 OKLength: 961500 (939K) [application/x-gzip]Saving to: `votca-tools-1.2.1.tar.gz' 100%[==] 961,500 2.16M/s in 0.4s 2011-12-15 13:26:18 (2.16 MB/s) - `votca-tools-1.2.1.tar.gz' saved [961500/961500] cmake not found Thanks for any suggestions On Nov 17, 4:17 pm, Marc Segovia marcsego...@gmail.com wrote: Hi Provided you have dependecies fine, follow the steps prefix=WHERE/TO/INSTALL/VOTCA mkdir -p ${prefix}/src cd ${prefix}/src wgethttp://votca.googlecode.com/hg/build.sh chmod +x build.sh ./build.sh --prefix ${prefix} tools csg maybe you can add gromacs on last line, like this ./build.sh --prefix ${prefix} gromacs tools csg regards Marc Universidad de la Republica Uruguay On Thu, Nov 17, 2011 at 7:01 PM, rp rakheep...@gmail.com wrote: Yes I have seen this installation page . I downloaded Votca and would like to know how should I go about
[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 votca+unsubscr...@googlegroups.com. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
[votca] Re: Installing Votca in linux
Yes I have seen this installation page . I downloaded Votca and would like to know how should I go about installing thisin a linux box or in linux cluster. Thanks On Nov 17, 3:38 pm, Konstantin Koschke konstantin.kosc...@gmail.com wrote: 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. To unsubscribe from this group, send email to votca+unsubscr...@googlegroups.com. For more options, visit this group athttp://groups.google.com/group/votca?hl=en. Dear rp, please be a bit more precise with your problem. Did you try followinghttp://code.google.com/p/votca/wiki/Installing? cheers, konstantin -- 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 votca+unsubscr...@googlegroups.com. For more options, visit this group at http://groups.google.com/group/votca?hl=en.