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Sunday, December 26, 2010

How to install XCrySDen in Ubuntu Linux

XCrySDen is a crystalline and molecular structure visualisation program, which aims at display of isosurfaces and contours, which can be superimposed on crystalline structures and interactively rotated and manipulated. It can run on most UNIX platforms, without any special hardware requirements.

HERE IS A SIMPLEST WAY...

Follow THIS link...
You need build-essential and gfortran preinstalled which you can install by typing the following in the terminal. (Applications --> Accessories --> Terminal)

sudo apt-get install build-essential gfortran freeglut3-dev tcl8.5-dev tk8.5-dev

Download any one of the source package with Tcl/Tk/Mesa libraries included from the following page:

http://www.xcrysden.org/Download.html

ie; you should download the file which look like
xc-1.****-all.tar.gz


This installation requires
250MB free space...

extract the tar.gz file by typing in the terminal

tar -xzvf xc-1*-all.tar.gz

cd XCrySDen-1*all

(Case sensitive) Now open the folder XCrySDen-1.*-all and in that cerate a file with the name "Make.sys"with the following information..






#########################################################################
#
# System-dependent definitions for Linux.
#
# EDIT ACCORDING TO YOUR OWN NEEDS !!!
#
########################################################################

#------------------------------------------------------------------------
# if you have a GNU make it is better to set the MAKE variable to point
# to gnu make
#------------------------------------------------------------------------
MAKE = make

#------------------------------------------------------------------------
# compilers & flags
#------------------------------------------------------------------------
CFLAGS = -ansi -funroll-loops -fPIC -DUSE_FONTS
CC     = gcc
#LDLIB  = -ldl
MATH   = -lm

FFLAGS = -O2
FC     = gfortran

#-------------------------------------------
#debug options
#CFLAGS = -ansi -g -fPIC
#-------------------------------------------


#------------------------------------------------------------------------
# X-libraries & include files
#
# for STATIC compilation one should add: -lpthread
#------------------------------------------------------------------------
X_LIB     = -L/usr/X11R6/lib -lXmu -lX11 -lXext
X_INCDIR  = -I/usr/X11R6/include


###
### use EITHER THIS:
###

#-Possibility-1----------------------------------------------------------
#
# If you want to use your own libraries and include files,
# then set *_LIB and *_INCDIR variables below accordingly:
#
#------------------------------------------------------------------------

#COMPILE_TCLTK = no
#COMPILE_MESA  = no

#
# Libraries
#
#TK_LIB      = -ltk8.5
#TCL_LIB     = -ltcl8.5
#GLU_LIB     = -lGLU
#GL_LIB      = -lGL

#
# Include directories
#
#TCL_INCDIR  =
#TK_INCDIR   =
#GL_INCDIR   =

#------------------------------------------------------------------------

###
### or THAT:
###


#-Possibility-2-----------------------------------------------------------
#
# XCRYSDEN package may contain the tcl, tk & Mesa sources !!!
# If you would like to compile and use these then uncomment below lines and
# comment lines "Possibility-1" (see above).
#
#------------------------------------------------------------------------

COMPILE_TCLTK = yes
COMPILE_MESA  = yes
#
# #
# # Do we want a shared library version of Tcl/Tk/Mesa or static?
# # If we want shared then set the following flags to: --enable-shared
# # else set the following flag to: --disable-shared
# #
TCLTK_OPTIONS      = --enable-shared
MESA_TARGET        = linux
#
# #
# # Libraries (dynamic loading)
# #           for shared linking the libraries postfix should be .so
# #           for static linking the libraries postfix should be .a
# #
TCL_LIB     = -L$(TOPDIR)/external/lib -ltcl$(TCL_VER2)
TK_LIB      = -L$(TOPDIR)/external/lib -ltk$(TCL_VER2)
GLU_LIB     = -L$(TOPDIR)/external/lib -lGLU
# GL_LIB      = -L$(TOPDIR)/external/lib -lGL
#
# #
# # Include directories
# #
TCL_INCDIR  = -I$(TOPDIR)/external/src/tcl$(TCL_VER3)/generic
TK_INCDIR   = -I$(TOPDIR)/external/src/tk$(TCL_VER3)/generic
GL_INCDIR   = -I$(TOPDIR)/external/include

#------------------------------------------------------------------------ 
or you can download it from

http://www.ziddu.com/download/13128321/Make.sys.zip.html

Download the file, extract it and save the file "
Make.sys" in the folder "XCrySDen-1.*-all"

now in terminal go to the folder XCrySDen-1.*-all and type in the following command..

make all

./xcConfigure

You will be asked a few questions which you can answer.. Like "Do you have a CRYSTAL Package", "Would you like to add xcrysden to Desktop" etc...




Do you have a CRYSTAL-95/98/03 package ([y]es/[n]o): n

Specify printing command (default: lpr -h): lpr

Do you want to enable the "babel" program ([y]es/[n]o): n

Do you want to enable the ImageMagick's "convert" program ([y]es/[n]o): y
Which image conversion program (default: /app/local/bin/convert):

Do you want to enable the "whirlgif" program ([y]es/[n]o): n

Do you want to enable the "mpeg_encode" program ([y]es/[n]o): n

It is possible to change the setting by modifying $HOME/.xcrysden/custom-definitions file.

after that type in

source ~/.bashrc


Some supporting packages for XCrySDen are:

Mplayer Mencoder, openbabel, ImageMagick which you can install by typing in the following in the terminal...

sudo apt-get install mplayer mencoder imagemagick openbabel



Now by clicking on the desktop icon you can see...



If you want to move the installation directory after installation you may need to change the PATH Environmental variables in .bashrc, for that open the terminal from Applications --> Accessories --> Terminal


gedit ~/.bashrc


and change accordingly the line



XCRYSDEN_TOPDIR=/complete_path_to/XCrySDen-1.5.21-src-all


Save it and close and then run in the terminal...


source ~/.bashrc


Please inform me whether this method works or not...

Cheers....


Please give your valuable comment for further improvement...

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64 comments:

  1. hi,
    i follow your instruction but in part i type "make all", after some minutes Running...., it type

    togl.c:40: fatal error: X11/Xmu/StdCmap.h: No such file or directory
    compilation terminated.
    make[2]: *** [togl.o] Error 1
    make[2]: Leaving directory `/home/nanolab/Desktop/simulation/XCrySDen-1.5.21-src-all/C'
    make[1]: *** [compile] Error 2
    make[1]: Leaving directory `/home/nanolab/Desktop/simulation/XCrySDen-1.5.21-src-all/C'
    make: *** [src-C] Error 2

    what should i do?

    ReplyDelete
  2. Try with this and inform me the further details...

    sudo apt-get install libxmu-headers

    ReplyDelete
  3. thanks.... it perfectly work.... :)

    ReplyDelete
  4. one may also need to install the following:

    sudo apt-get install libglu1-mesa-dev, libxmu-dev, and freeglut3-dev

    thanks for the information Anonymous...

    ReplyDelete
  5. hello
    i did just you said. and all thing is done well.
    but when i open xcrysden it writes:
    xcrys: relocation error: /usr/lib/libX11.so.6: symbol strlen, version GLIBC_2.0 not defined in file libc.so.6 with link time reference

    what should i do?

    ReplyDelete
  6. hello
    now i did it again, on another computer and it was completely successful, and easier than i supposed
    thank you very much

    ReplyDelete
  7. hello
    i follow your instruction but in part i type "make all", after some minutes Running...., it type
    .......
    make[2]: entrant dans le répertoire « /home/souhail/Bureau/XCrySDen-1.4.1s-all/external/src/tcl8.4.6/unix »
    make[2]: *** Pas de cibles spécifiées et aucun makefile n'a été trouvé. Arrêt.
    make[2]: quittant le répertoire « /home/souhail/Bureau/XCrySDen-1.4.1s-all/external/src/tcl8.4.6/unix »
    make[2]: entrant dans le répertoire « /home/souhail/Bureau/XCrySDen-1.4.1s-all/external/src/tcl8.4.6/unix »
    make[2]: *** Pas de règle pour fabriquer la cible « install-libraries ». Arrêt.
    make[2]: quittant le répertoire « /home/souhail/Bureau/XCrySDen-1.4.1s-all/external/src/tcl8.4.6/unix »
    make[1]: *** [tcl] Erreur 2
    make[1]: quittant le répertoire « /home/souhail/Bureau/XCrySDen-1.4.1s-all/external/src »
    make: *** [tcl] Erreur 2
    what should i do?

    ReplyDelete
  8. The followings are my problems, what to do? Thanks.

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

    cd C; make "TOPDIR=/home/ylli/XCrySDen-1.4.1s" compile
    make[1]: Entering directory `/home/ylli/XCrySDen-1.4.1s/C'
    if test "no`type makedepend`" != "no" ; then makedepend -I/home/ylli/XCrySDen-1.4.1s/external/src/tcl8.4.6/generic -I/home/ylli/XCrySDen-1.4.1s/external/src/tk8.4.6/generic -I/home/ylli/XCrySDen-1.4.1s/external/include -I/usr/X11R6/include detnsplit.c xcAppInit.c xcballstick.c xcviewport.c xcLabels.c vectors.c xcDisplayFunc2.c xcAtomAdd.c loadValues.c hpsort.c auxilproc.c xcdebug.c 3D.c xcDisplayFunc.c readstrf.c mxmymz.c remakestr.c xcSelect.c readisodata.c lighting.c xcGLparam.c colorplane.c isorender.c polygonise.c polygonise_auxil.c xcIsoSurf.c voronoi.c xcBz.c xcSuperCell.c xcPrimitives.c setOpenGLState.c memory.c isoMalloc.c isoInterpolate.c readPlvertex.c splineInt.c paraSize.c isoline.c xcIsoSpaceSel.c cells.c xcWigner.c xcTogl.c datagrid.c sInfo.c xcIsoDataGrid.c xcColorScheme.c xcReadXSF.c xcF3toI4.c xcFractCoor.c signal.c MarchCubes.c isosurf.c xcMolSurf.c cryNewContext.c fs.c cryDispFunc.c cryDispFuncMultiFS.c crySetProj.c crySurfArgs.c crySurf.c cryTransform.c cryClip.c cryTogl.c forces.c xcForces.c gl2psPrintTogl.c ppmPrintTogl.c lcasi.c lcasif.c xcFont.c fog.c writeXSF.c hbonds.c xcHBonds.c linear.c; fi
    /bin/sh: makedepend: not found
    make[1]: [depend] Error 127 (ignored)
    make TOPDIR=/home/ylli/XCrySDen-1.4.1s
    make[2]: Entering directory `/home/ylli/XCrySDen-1.4.1s/C'
    gcc -ansi -funroll-loops -fPIC -DUSE_FONTS -DUSE_FONTS -I/home/ylli/XCrySDen-1.4.1s/external/src/tcl8.4.6/generic -I/home/ylli/XCrySDen-1.4.1s/external/src/tk8.4.6/generic -I/home/ylli/XCrySDen-1.4.1s/external/include -I/usr/X11R6/include -c detnsplit.c
    In file included from detnsplit.c:22:
    struct.h:44: fatal error: GL/gl.h: No such file or directory
    compilation terminated.
    make[2]: *** [detnsplit.o] Error 1
    make[2]: Leaving directory `/home/ylli/XCrySDen-1.4.1s/C'
    make[1]: *** [compile] Error 2
    make[1]: Leaving directory `/home/ylli/XCrySDen-1.4.1s/C'
    make: *** [src-C] Error 2

    ReplyDelete
  9. Please download or create Make.sys and keep it in the folder extracted from Xcrysden***.tar.gz file.

    aucun makefile n'a été trouvé

    ReplyDelete
  10. Hi
    I have well install the program but I have this message error when I excute xcrysden.
    Please what to do?
    xcrys: relocation error: /usr/lib32/libX11.so.6: symbol strlen, version GLIBC_2.0 not defined in file libc.so.6 with link time reference

    ReplyDelete
  11. Please I wait your answer for the last message.

    ReplyDelete
  12. Dear All,
    I have installed xcrysden on ubuntu10.04. But when I run this it shows the following error

    /home/haider/XCrySDen-1.5.23-src-all/xcrysden: 275: /home/haider/XCrySDen-1.5.23-src-all/bin/xcrys: not found
    haider@haider-desktop:~/XCrySDen-1.5.23-src-all$

    However I have desktop icon, but on click on it there is no response

    kindly help me

    email: haiderabbasphy@yahoo.co.in

    ReplyDelete
  13. Dear All,
    I have installed xcrysden on ubuntu10.04. But when I run this it shows the following error

    /home/haider/XCrySDen-1.5.23-src-all/xcrysden: 275: /home/haider/XCrySDen-1.5.23-src-all/bin/xcrys: not found
    haider@haider-desktop:~/XCrySDen-1.5.23-src-all$

    ReplyDelete
  14. Dear all,

    I follow the instruction but after make all, i have the following error:
    shankland.h:4: fatal error: meschach/matrix2.h: No such file or directory
    compilation terminated.
    make[2]: *** [fft3d.o] Error 1
    make[2]: Leaving directory `/home/adetunji/XCrySDen-1.5.24-src-all/C'
    make[1]: *** [compile] Error 2
    make[1]: Leaving directory `/home/adetunji/XCrySDen-1.5.24-src-all/C'
    make: *** [src-C] Error 2

    ReplyDelete
  15. Thaks for posting the installation procedure!!!
    I only want to add that in ubuntu 10.04 you should also install
    libmeschach-dev, libmesmach1.2 and libxmu-dev

    Good luck everyone

    ReplyDelete
  16. Ups! I misspelled that:

    the right way is

    apt-get install libmeschach-dev libmeschach1.2 libxmu-dev

    ReplyDelete
  17. Hi

    I'm trying to install Xcrysden since two weeks and I-m having a lot of problems. Hope you can help me. I use the "make" separately with bindir, tcl tk mesa and xcrysden... It works perfectly for bindir, tcl and tk, but when it comes to mesa, I got errors as this:

    'struct nouveau_channel' has no member named 'cut'

    and later like this:

    no rule to make target <<...libnvfx.a>>, needed by <<...libGL.so>>. Stop.

    and of course the "make xcrysden" doesn't work well.

    Hope you can help me.

    Thanks

    ReplyDelete
  18. By the way, the first group of errors start are something related to nvfx, so I think that's why it has problems with the libnvfx later.

    ReplyDelete
  19. please try with this:


    sudo apt-get build-dep freeglut3-dev libgl1-mesa-dev

    and update me the further status...

    cheers,
    SANJEEV

    ReplyDelete
  20. Hi SANJEEV

    Thanks a lot for your help. After doing what you told me, the result is the same, when I try makein mesa, the first error is:

    nvfx_push.c: In function 'emit vertices_lookup8':
    nvfx_push.c:48:'struct nouveau_channel' has no member named 'cur'

    Thanks again, and hope you can help me.

    David

    ReplyDelete
  21. I think it has something to do with the libdrm :S

    ReplyDelete
  22. try to install

    sudo apt-get install libdrm-dev build-essential

    ReplyDelete
  23. Both were already in the newest version, I tried it again and the results were exactly the same.:S

    ReplyDelete
  24. Dear all,

    in ubuntu 11.04
    I follow the instruction but after make all, i have the following error:
    shank_Hinv.c:7:27: error: ‘M_PI’ undeclared here (not in a function)
    make[2]: *** [shank_Hinv.o] Error 1
    make[2]: Leaving directory `/home/duter/XCrySDen-1.5.24-src-all/C'
    make[1]: *** [compile] Error 2
    make[1]: Leaving directory `/home/duter/XCrySDen-1.5.24-src-all/C'
    make: *** [src-C] Error 2

    ReplyDelete
  25. Hey,

    I tried to install on ubuntu Ubuntu 10.04.3 LTS.



    "fft3d.c:4:19: error: fftw3.h: No such file or directory


    I tried to install the fftw manually, but it did not help. can anybod help?

    thx

    ReplyDelete
  26. I figured the above one "fftw3.h" error out, however now i am stuck at the following:
    #------------------------------#
    # #
    # Compiling XCRYSDEN C-code #
    # #
    #------------------------------#

    cd C; make "TOPDIR=/home/x/Desktop/XCrySDen-1.5.24-src-all" compile
    make[1]: Entering directory `/home/x/Desktop/XCrySDen-1.5.24-src-all/C'
    make TOPDIR=/home/x/Desktop/XCrySDen-1.5.24-src-all
    make[2]: Entering directory `/home/x/Desktop/XCrySDen-1.5.24-src-all/C'
    gcc -ansi -funroll-loops -fPIC -DUSE_FONTS -DUSE_FONTS -I/home/x/Desktop/XCrySDen-1.5.24-src-all/external/src/tcl8.5.9/generic -I/home/x/Desktop/XCrySDen-1.5.24-src-all/external/src/tk8.5.9/generic -I/home/x/Desktop/XCrySDen-1.5.24-src-all/external/include -I/usr/X11R6/include -c fft3d.c
    In file included from /usr/include/meschach/matrix2.h:35,
    from shankland.h:4,
    from fft3d.c:6:
    /usr/include/meschach/matrix.h:49: error: expected specifier-qualifier-list before ‘u_int’


    anyone?

    ReplyDelete
  27. I too am having problems with an fftw3.h error. How did you get around it? Cheers
    Jack

    ReplyDelete
  28. thanks for the information hopefully can provide value to the many benefits

    ReplyDelete
  29. thanks for the information hopefully can provide value to the many benefits

    ReplyDelete
  30. To Anonymous: or anyone else looking to fix the error regarding
    usr/include/meschach/matrix.h:49: error: expected specifier-qualifier-list before ‘u_int’

    I found this site to be very helpful
    http://www.democritos.it/pipermail/xcrysden/2011-June.txt

    specifically, the author recommends the following modifications your Make.sys to:

    from CFLAGS remove "-ansi"

    add:
    FFTW3_LIB = -lfftw3
    MESCHACH_LIB = -lmeschach


    Cheers,

    ReplyDelete
  31. Dear all,

    I am using Mac Os X Lion. Could you give me some advices about appropriate Make.sys file?

    Thank you so much

    ReplyDelete
  32. Dear All,
    I have installed xcrysden on ubuntu10.04. But when I run this it shows the following error

    /home/haider/XCrySDen-1.5.24-src-all/xcrysden: 275: /home/haider/XCrySDen-1.5.24-src-all/bin/xcrys: not found
    haider@haider-desktop:~/XCrySDen-1.5.23-src-all$

    ReplyDelete
  33. Hi,
    Can you please show me how to extract the 'Make.sys.zip' folder?
    I don't know what is the command which allow the extraction...

    Thank you

    ReplyDelete
  34. please let me know in which version of ubuntu the above method works? coz I am using ubuntu 11.04 and its not working!

    ReplyDelete
  35. Thank you for your wonderful job. The instruction for giving for the installation was accordingly followed but when trying to use this directory "make all" it shows the following erro:
    #------------------------------#
    # #
    # Compiling XCRYSDEN C-code #
    # #
    #------------------------------#

    cd C; make "TOPDIR=/home/yusuf/XCrySDen-1.5.24-src-all" compile
    make[1]: Entering directory `/home/yusuf/XCrySDen-1.5.24-src-all/C'
    make TOPDIR=/home/yusuf/XCrySDen-1.5.24-src-all
    make[2]: Entering directory `/home/yusuf/XCrySDen-1.5.24-src-all/C'
    gcc -DUSE_FONTS -DUSE_FONTS -I/usr/X11R6/include -c detnsplit.c
    gcc -DUSE_FONTS -DUSE_FONTS -I/usr/X11R6/include -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/yusuf/XCrySDen-1.5.24-src-all/C'
    make[1]: *** [compile] Error 2
    make[1]: Leaving directory `/home/yusuf/XCrySDen-1.5.24-src-all/C'
    make: *** [src-C] Error 2

    Help me out. Thank you

    ReplyDelete
  36. cd C; make "TOPDIR=/home/prof-veeraiah/XCrySDen-1.5.24-src-all" compile
    make[1]: Entering directory `/home/prof-veeraiah/XCrySDen-1.5.24-src-all/C'
    make TOPDIR=/home/prof-veeraiah/XCrySDen-1.5.24-src-all
    make[2]: Entering directory `/home/prof-veeraiah/XCrySDen-1.5.24-src-all/C'
    gcc -ansi -funroll-loops -fPIC -DUSE_FONTS -DUSE_FONTS -I/home/prof-veeraiah/XCrySDen-1.5.24-src-all/external/src/tcl8.5.9/generic -I/home/prof-veeraiah/XCrySDen-1.5.24-src-all/external/src/tk8.5.9/generic -I/home/prof-veeraiah/XCrySDen-1.5.24-src-all/external/include -I/usr/X11R6/include -c fft3d.c
    fft3d.c:4:19: fatal error: fftw3.h: No such file or directory
    compilation terminated.
    make[2]: *** [fft3d.o] Error 1
    make[2]: Leaving directory `/home/prof-veeraiah/XCrySDen-1.5.24-src-all/C'
    make[1]: *** [compile] Error 2
    make[1]: Leaving directory `/home/prof-veeraiah/XCrySDen-1.5.24-src-all/C'
    make: *** [src-C] Error 2
    prof-veeraiah@profveeraiah-OptiPlex-390:~/XCrySDen-1.5.24-src-all$

    ReplyDelete
    Replies
    1. fftw3.h: No such file or directory -> The fftw3 development library is needed.

      apt-get install libfftw3-dev

      Delete
  37. For errors with fftw3, add

    FFTW3_LIB = -lfftw3

    to the Make.sys file

    ReplyDelete
  38. when i open the desktop icon it appears as Untrusted application launcher.

    why?

    ReplyDelete
  39. Change the permissions of launcher to executable...

    chmod +x ~/Desktop/xcrys...xxxx.desktop


    Otherwise simply right click on the icon and in the permissions tab, select "Executable"

    ReplyDelete
    Replies
    1. thnkx for help. but i cnt open xcryden

      Delete
  40. if i do the command it says ....XCrySDen-1.5.24-src-all/bin/xcrys: not found

    do u knw the reason

    ReplyDelete
  41. Try the alternative method that I've mentioned above or follow this link...

    http://conquer-ur-computer.blogspot.in/2012/10/install-xcrysden-simplest-way-for-all.html

    Cheers,
    SANJEEV

    ReplyDelete
  42. 165: Can't open /complete_path_to/XCrySDen-1.5.21-src-all/scripts/xcLib.sh

    what is this meaning

    ReplyDelete
  43. Not without some struggling, but finally this was the way that worked. Thank you very much!

    ReplyDelete
  44. dramar@ubuntu:~$ XCrySDen-1.5.24-src-all
    XCrySDen-1.5.24-src-all: command not found
    dramar@ubuntu:~$ cd XCrySDen-1.5.24-src-all
    dramar@ubuntu:~/XCrySDen-1.5.24-src-all$ ./xcrysden
    cat: /complete_path_to/XCrySDen-1.5.21-src-all/version: No such file or directory

    +----------------------------------------------------------------+
    |****************************************************************|
    |* *|
    |* XCrySDen - (X-Window) CRYstalline Structures and DENsities *|
    |* = === = === *|
    |*--------------------------------------------------------------*|
    |* *|
    |* Anton Kokalj (Tone.Kokalj@ijs.si) *|
    |* Jozef Stefan Institute, Ljubljana, Slovenia *|
    |* *|
    |* Copyright (c) 1996--2009 by Anton Kokalj *|
    |* *|
    |****************************************************************|
    +----------------------------------------------------------------+

    Version:

    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/.

    ./xcrysden: 165: .: Can't open /complete_path_to/XCrySDen-1.5.21-src-all/scripts/xcLib.sh
    dramar@ubuntu:~/XCrySDen-1.5.24-src-all$
    Plz suggest the possible error?

    ReplyDelete
  45. @ Dr. Amar : Please try with This:

    http://conquer-ur-computer.blogspot.in/2012/10/install-xcrysden-simplest-way-for-all.html

    ReplyDelete
  46. I am trying to use the semishared compiled version of Xcrysden with Ubuntu.
    After running XCconfigure, I have the following error message when I try to typoe xcrysden :

    /home/name/Téléchargements/XCrySDen-1.5.25-bin-semishared/bin/xcrys: 2: /home/name/Téléchargements/XCrySDen-1.5.25-bin-semishared/bin/xcrys: =A T 8X ad- �v ���: not found

    Do you know what could be the problem ?

    ReplyDelete
  47. Dear all I'm trying install xcrysden-1.5.53 but the screen shows the next error
    make[2]: *** [gl2ps.o] Error 1
    make[2]: Leaving directory `/home/jafet/Downloads/xcrysden-1.5.53/C'
    make[1]: *** [compile] Error 2
    make[1]: Leaving directory `/home/jafet/Downloads/xcrysden-1.5.53/C'
    make: *** [src-C] Error 2

    Please if someone know what happens with the error, so please let me say a solution :-)

    ReplyDelete
  48. Rishi....
    Dear all, I have installed xcrysden_all_debian_and_ubuntu on ubuntu 12.10 version. but there is some problem ins starting xcrysden. when i am giving
    $ xcrysden
    it is giving following error


    XCRYSDEN_TOPDIR=/usr/share/xcrysden
    XCRYSDEN_SCRATCH=/home/rishi/xcrys_tmp

    Running on platform : unix
    Operating system : Linux
    Error in startup script: wrong # args: should be "set varName ?newValue?"
    while executing
    "set system(c95_crystal) -p: not found"
    (file "/home/rishi/.xcrysden/custom-definitions" line 14)
    invoked from within
    "source $env(HOME)/.xcrysden/custom-definitions"
    invoked from within
    "if { [file exists $env(HOME)/.xcrysden/custom-definitions] } {
    source $env(HOME)/.xcrysden/custom-definitions
    } else {
    source $system(TOPDIR)/Tc..."
    ("eval" body line 20)
    invoked from within
    "eval [info body xcInit]"
    (file "/usr/share/xcrysden/Tcl/xcInit.tcl" line 575)


    please help me

    ReplyDelete
  49. after "make all" xcConfigure does not work and following message is displayed

    bash: ./xcConfigure: No such file or directory

    after adding ".sh" to xcConfigure it displays the following message
    .: 77: Can't open /home/idris/Desktop/softpakages/scripts/xcConfigure_updateProfile.sh

    Please help me to sort out the problem..
    thanks

    ReplyDelete
  50. I want to install xcrysden-1.5.53 on my linux machine from source. But problem, my machine is not having internet access. I have installed required version of FFTW, TCL and TK and Glibc. But when I tried to install it looks for bwidget package on net as below-

    if test -d external/src ; then \
    cd external/src; make "TOPDIR=/home/guptaka/Softwares/xcrysden-1.5.53" bwidget; \
    fi
    make[1]: Entering directory `/home/guptaka/Softwares/xcrysden-1.5.53/external/src'

    #----------------------------------------#
    # #
    # Downloading external BWidget-library #
    # #
    #----------------------------------------#

    --2013-06-10 12:52:55-- http://sourceforge.net/projects/tcllib/files/BWidget/1.9.5/bwidget-1.9.5.tar.gz
    Resolving sourceforge.net... 216.34.181.60


    Could you suggest a procedure to install xcrysden-1.5.53 with all dependencies without the use of internet.

    Thanks,
    Abhishek

    ReplyDelete
  51. thanks a lot...It works perfectly on ubuntu 12.04 OS..

    ReplyDelete
  52. Hi, I'm trying to install xcrysden in Ubuntu 12.04. I followed your instructions, however when run make all get the following error
    "shankland.h:4:30: fatal error: meschach/matrix2.h: No such file or directory"

    I'm new to linux and can't figure out the reason. please help me

    ReplyDelete
  53. Please try this method...

    http://conquer-ur-computer.blogspot.in/2012/10/install-xcrysden-simplest-way-for-all.html

    With regards,
    SANJEEV

    ReplyDelete
  54. Hi everyone,

    Thanks for the help, but i need a bit further...

    when i use terminal to open xcrysden it shows the error:

    /home/ozandernek/XCrySDen-1.5.24-src-all/xcrysden: 223: /home/ozandernek/XCrySDen-1.5.24-src-all/xcrysden: /home/ozandernek/XCrySDen-1.5.24-src-all/bin/xcrys: Permission denied


    And the desktop icon shows:

    The application launcher "xcrysden.desktop" has not been marked as trusted. If you do not know the source of this file, launching it may be unsafe.

    I have seen similar questions in the page, but could not find the solution respond.

    With regards,

    Ozan

    ReplyDelete
    Replies
    1. Go to terminal and type:

      chmod +x /home/ozandernek/XCrySDen-1.5.24-src-all/xcrysden


      and hit "Enter"...

      Delete
  55. First time I am trying to Install Quantum espresso. Your Information helped me a lot to complete all the installation.
    You have done a great job

    ReplyDelete
  56. HI
    how can i install this in windows instead on linux based system?

    ReplyDelete
  57. Hi, I'm trying to install xcrysden in Ubuntu 13.10. I followed your instructions. Starting xcrysden i am getting following error.

    /usr/local/lib/xcrysden-1.5.53/xcrys: error while loading shared libraries: libtk8.5.so: cannot open shared object file: No such file or directory

    could you pls suggest a solution
    Regards,

    ReplyDelete
  58. Hi, when i'm trying to run the:" xcrysden --pwo output.file " command
    I am getting :
    /home/pankaj/qe/espresso-5.0.2/XCrySDen-1.5.24-src-all/xcrysden: 223: /home/pankaj/qe/espresso-5.0.2/XCrySDen-1.5.24-src-all/xcrysden: /home/pankaj/qe/espresso-5.0.2/XCrySDen-1.5.24-src-all/bin/xcrys: not found

    as an error.

    could you plz suggest me a solution.

    ReplyDelete
  59. Hello, Thank you very much for the nice tutorial.
    I am stuck, after the make all, I get the following error.

    home/marco/Programs/xcrysden-1.5.60/external/lib -lGLU -L/usr/X11R6/lib -lXmu -lX11 -lXext -lm
    /usr/bin/ld: xcDisplayFunc2.o: undefined reference to symbol 'glTranslated'
    //usr/lib/fglrx/libGL.so.1: error adding symbols: DSO missing from command line
    collect2: error: ld returned 1 exit status

    I read in some forum that this kind of error could be solved lining the libraries (I dont have any idea of how to do it). but \i am not sure if this could be the correct solution.
    Do you have some advice?

    Best regards
    Marco Polo

    ReplyDelete