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Old 10-02-2013, 08:32 AM   #1
TONGJI_JR
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I have installed XCrySDen software on Ubuntu 12.04 but it isn't running, what to do?


I have just installed XCrySDen latest version. After I typed xcrysden on terminal which was shown references but GUI wasn't pop up? Is there something wrong on my installation of different supporting packages??
Print Command: lpr -h
Babel program: /usr/bin/babel
Image converting program: /usr/bin/convert
Whirlgif program: /usr/bin/whirlgif
Mpeg_encode program: /usr/bin/mpeg_encode

Is this correct ([y]es/[n]o): y
creating /home/vampire/.xcrysden/custom-definitions ... OK

Would you like to edit ~/.xcrysden/custom-definitions file now ([y]es/[n]o):n
copying /home/vampire/tools/XCrySDen-pre1.5bbin-static/Tcl/Xcrysden_defaults ... OK

Please someone answer my question? Thanks in advance
 
Old 10-03-2013, 03:45 AM   #2
knudfl
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http://www.xcrysden.org/Download.html#__toc__1
> xcrysden-1.5.53.tar.gz

Same procedure as ..
http://www.linuxquestions.org/questi...-4175449852/#4

... except that the prerequisites have different names
when it's Ubuntu : $ sudo apt-get install \
g++ gfortran libfftw3-dev tcl8.5-dev tk8.5-dev \
libgl1-mesa-dev libglu1-mesa-dev wget libtogl-dev

-

Last edited by knudfl; 10-06-2013 at 07:36 AM.
 
Old 10-03-2013, 12:05 PM   #3
TONGJI_JR
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knudfl

Thank you so much for the reply. As I have installed quantum_espresso and CP2K previosuly it has all the required libraries lapac, blast, mesa, tcl,tk fftw etc. But yet I got this after runing xcrysden on Terminal:

XCRYSDEN reference:
A. Kokalj: J. Mol. Graphics Modelling, 1999, Vol. 17, 176--179.
A. Kokalj: Comput. Mater. Science, 2003, Vol. 28, 155--168.
A. Kokalj and M. Causa: Proceedings of High Performance Graphics
Systems and Applications European Workshop,
Bologna, Italy, 2000, 51--54.

Please report bugs to: Tone.Kokalj@ijs.si


TERMS OF USE:
-------------
XCRYSDEN is released under the GNU General Public License.

Whenever graphics generated by XCRYSDEN are used in scientific
publications, it shall be greatly appreciated to include an explicit
reference. The preferred form is the following:

[ref] A. Kokalj, Comp. Mater. Sci., Vol. 28, p. 155, 2003.
Code available from http://www.xcrysden.org/.

vampire@vampire-HP-ProBook-4530s:~$

I will try1.5.53 version and let you know the progress soon.
 
Old 10-03-2013, 01:38 PM   #4
sryzdn
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use the precompiled xcrysden if the source is giving you this error.

And, take a look at this: http://www.linuxquestions.org/questi...en-4175449852/
 
Old 10-05-2013, 03:16 AM   #5
TONGJI_JR
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sryzdn,
Thanks for the reply. I went through the "hanamalini" steps to install xcrysden-1.5.53 version. However, it gives the following error after "make all" command (anyway it successfully installed tcl and tk). How to proceed from there? Should I ignore it? i already have "mesa" came with quantum_espresso, can't I use that with this software? Please help to solve these problems and thank you so much for your time put on my problem.

#-------------------------------------#
# #
# Downloading external Mesa-library #
# #
#-------------------------------------#

--2013-10-05 16:04:12-- ftp://ftp.freedesktop.org/pub/mesa/7...-7.10.3.tar.gz
=> `MesaLib-7.10.3.tar.gz'
Resolving ftp.freedesktop.org (ftp.freedesktop.org)... 131.252.210.176
Connecting to ftp.freedesktop.org (ftp.freedesktop.org)|131.252.210.176|:21... connected.
Logging in as anonymous ... Logged in!
==> SYST ... done. ==> PWD ... done.
==> TYPE I ... done. ==> CWD (1) /pub/mesa/7.10.3 ...
No such directory `pub/mesa/7.10.3'.

make[1]: *** [mesa-traditional] Error 8
make[1]: Leaving directory `/home/vampire/tools/xcrysden-1.5.53/external/src'
make: *** [mesa] Error 2

I found the solution to above problem. The whole procedure of replacing "ftp://ftp.freedesktop.org/pub/mesa/7.10.3/MesaLib-7.10.3.tar.gz" with something workable "ftp://ftp.freedesktop.org/pub/mesa/older-versions/7.x/$(MESA_VER) can be found in the follwing link :

http://www.democritos.it/pipermail/x...st/001462.html








I found an error while make all xcrysden. I installed development packages for tcl and tk (tcl8.4-dev and tk8.4-dev) but there is no progree of compilation, here's what I got; & help me with this to over come the problem. Thanks a lot.

#------------------------------#
# #
# Compiling XCRYSDEN C-code #
# #
#------------------------------#

cd C; make "TOPDIR=/home/vampire/tools/xcrysden-1.5.53" compile
make[1]: Entering directory `/home/vampire/tools/xcrysden-1.5.53/C'
make TOPDIR=/home/vampire/tools/xcrysden-1.5.53
make[2]: Entering directory `/home/vampire/tools/xcrysden-1.5.53/C'
gcc -ffast-math -funroll-loops -fPIC -DUSE_FONTS -pedantic -Wall -DUSE_FONTS -I/usr/include/tcl8.5 -c xcAppInit.c
In file included from xcAppInit.c:23:0:
togl.h:48:19: fatal error: tcl.h: No such file or directory
compilation terminated.
make[2]: *** [xcAppInit.o] Error 1
make[2]: Leaving directory `/home/vampire/tools/xcrysden-1.5.53/C'
make[1]: *** [compile] Error 2
make[1]: Leaving directory `/home/vampire/tools/xcrysden-1.5.53/C'
make: *** [src-C] Error 2
vampire@vampire-HP-ProBook-4530s:~/tools/xcrysden-1.5.53$

Last edited by TONGJI_JR; 10-05-2013 at 09:52 AM. Reason: ================================================
 
Old 10-05-2013, 06:05 AM   #6
knudfl
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# 5 .

OK, then please mark the thread as [SOLVED]
 
Old 10-05-2013, 10:00 AM   #7
TONGJI_JR
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knudfl,

I am glad that if it solved completely BUT not yet. Still have the compiling error for C-code. Rest I'll copy form below,

I found an error while make all xcrysden. I installed development packages for tcl and tk (tcl8.4-dev and tk8.4-dev) but there is no progree of compilation, here's what I got; & help me with this to over come the problem. Thanks a lot.

#------------------------------#
# #
# Compiling XCRYSDEN C-code #
# #
#------------------------------#

cd C; make "TOPDIR=/home/vampire/tools/xcrysden-1.5.53" compile
make[1]: Entering directory `/home/vampire/tools/xcrysden-1.5.53/C'
make TOPDIR=/home/vampire/tools/xcrysden-1.5.53
make[2]: Entering directory `/home/vampire/tools/xcrysden-1.5.53/C'
gcc -ffast-math -funroll-loops -fPIC -DUSE_FONTS -pedantic -Wall -DUSE_FONTS -I/usr/include/tcl8.5 -c xcAppInit.c
In file included from xcAppInit.c:23:0:
togl.h:48:19: fatal error: tcl.h: No such file or directory
compilation terminated.
make[2]: *** [xcAppInit.o] Error 1
make[2]: Leaving directory `/home/vampire/tools/xcrysden-1.5.53/C'
make[1]: *** [compile] Error 2
make[1]: Leaving directory `/home/vampire/tools/xcrysden-1.5.53/C'
make: *** [src-C] Error 2
vampire@vampire-HP-ProBook-4530s:~/tools/xcrysden-1.5.53$
 
Old 10-05-2013, 10:28 AM   #8
knudfl
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# 5 .
Quote:
togl.h:48:19: fatal error: tcl.h: No such file or directory
Ref. post # 2 :

Are all the prerequisites installed ?
tcl8.5-dev tk8.5-dev etc. etc. ?


-

Last edited by knudfl; 10-06-2013 at 07:19 AM.
 
Old 10-06-2013, 06:21 AM   #9
TONGJI_JR
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knudfl,

Yes, I have installed tcl8.5-dev and tk8.5-dev, mesa, mesch, ffft etc. But I have no idea why this error occurs.
Please try to help me to over come this compilation problem.
 
Old 10-06-2013, 08:01 AM   #10
knudfl
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#5, #7, #9.

Ubuntu 12.04 :
The easy solution is to use the "semishared Make.sys" file.
Then all files will be in known locations.
And 'make all' will compile the application with no errors.

$ cd xcrysden-1.5.53/
$ cp -a system/Make.sys-semishared Make.sys
$ make all
... Doesn't take very long time, and ...
$ ./xcrysden : will open the XCrySDen GUI OK.


P.S.
My first try on Ubuntu 12.04 - i686 was with Make.sys-shared
as the "Make.sys" file. This package was required too :
$ sudo apt-get install libtogl-dev
But the build failed, hence the suggestion for Make.sys-semishared.

-

Last edited by knudfl; 10-07-2013 at 05:59 AM.
 
1 members found this post helpful.
Old 10-06-2013, 08:19 AM   #11
TONGJI_JR
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Problem solved

Hi Everyone,

I have just solved the problem by giving need dev-libraries at each time when there is an error message. So I also suggest to follow the "hanamilani"s thread get the basic guidelines for instructions. Then ./xcrysden will open the GUI. My advice is just follow the guidelines of hanamilani and when you cameacross any compilation error in case if the system doesn't recognised the places of header files just install them then and there to solve the compilation problems. If not follow the knudfl answer Make.Sys-semishared Make.sys and make all to compile without errors. Thanks for everyone who support me in this endaveour.
 
  


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