[Wien] XCrySDen 1.6

[Gavin Abo]

You need to navigate to the file:


/home/Programas/xcrysden-1.6.2-bin-shared/Tcl/custom-definitions


In that file, there should be the line:


#set toglOpt(accum) false


That line needs changed to:


set toglOpt(accum) false


When I installed XCrySDen right after installing Fedora 40, it worked.  
However, after Fedora 40 push an update, it broke. However, I was able 
to get it working again after following the advice to use "set 
toglOpt(accum) false" in custom-definitions, which I found at:


https://unix.stackexchange.com/questions/702305/running-xcrysden-in-wayland


Kind Regards,

Gavin

WIEN2k & XCrySDen user


On 9/2/2024 12:07 PM, delamora wrote:
> Gavin
> Thanks for your reply, but it still does not work;
> -----------------------------------------
> ....
> XCRYSDEN_SCRATCH=/home/pablo/xcrys_tmp
>
> Running on platform : unix
>    Operating system : Linux
> Package ImageMagick's import: /usr/bin/import
> Executing: /home/Programas/xcrysden-1.6.2-bin-shared/bin/ftnunit
> Error in startup script: Can not set ident to a window path name
> Couldn't configure togl widget
>     while executing
> "togl .mesa  -width          400  -height         400  -ident       
>  .mesa  -rgba           $toglOpt(rgba)           -redsize       
>  $toglOpt(redsize..."
>     (procedure "PlaceGlobWin" line 107)
>     invoked from within
> "PlaceGlobWin 0 [expr round(670 * $fac1)] [expr round(670 * $fac1)]"
>     (procedure "ViewMol" line 25)
>     invoked from within
> "ViewMol ."
>     invoked from within
> "if { [llength $argv] > 2 } {
>     parseComLinArg [lrange $argv 2 end]
> } else {
>     ViewMol .
> }"
>     (file "/home/Programas/xcrysden-1.6.2-bin-shared/Tcl/xcInit.tcl" 
> line 633)
> ---------------------
> Pablo
> ------------------------------------------------------------------------
> The libgfortran5 for example seems to be the wrong package name for 
> Fedora 40. The package name gfortran can be used:
>
> username at fedora:~$ sudo yum install gfortran
> Last metadata expiration check: 0:00:05 ago on Mon 02 Sep 2024 
> 11:26:11 AM MDT.
> Package gcc-gfortran-14.2.1-1.fc40.x86_64 is already installed.
> Dependencies resolved.
> Nothing to do.
> Complete!
>
> Regarding all the other Fedora 40 packages needed for XCrySDen 
> (version 1.6.2), that was given in the XCrySDen mailing list post at:
>
>
> http://www.democritos.it/pipermail/xcrysden/2024-August/002148.html 
> <http://www.democritos.it/pipermail/xcrysden/2024-August/002148.html>
>
>
> Kind Regards,
> Gavin
> WIEN2k user
>
>
> On 9/2/2024 11:17 AM, delamora wrote:
>
>     Dear WIEN2k users;
>     Now I have Linux Fedora 40 and I cannot use xcrysden 1.5
>     When I try to load the required packages;
>     ----------------------------------------------------------
>     dnf install tk libglu1-mesa libtogl2 libfftw3-3 libxmu6
>      imagemagick openbabel libgfortran5
>     Última comprobación de caducidad de metadatos hecha hace 0:05:30,
>     el lun 02 sep 2024 09:38:00.
>     El paquete tk-1:8.6.13-3.fc40.x86_64 ya está instalado.
>     No hay coincidencias para el argumento: libglu1-mesa
>     No hay coincidencias para el argumento: libtogl2
>     No hay coincidencias para el argumento: libfftw3-3
>     No hay coincidencias para el argumento: libxmu6
>     No hay coincidencias para el argumento: imagemagick
>       * Tal vez quiso decir: ImageMagick
>     No hay coincidencias para el argumento: libgfortran5
>     Error: No se pudo encontrar ningún resultado: libglu1-mesa
>     libtogl2 libfftw3-3 libxmu6 imagemagick libgfortran5
>     -----------------------------------
>     There were no results for
>     libglu1-mesa libtogl2 libfftw3-3 libxmu6 imagemagick libgfortran5
>     but
>     ImageMagick
>     is already installed.
>     ------------------------
>     So I cannot use xcrysden
>
>     Saludos
>
>     Pablo
>
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