[xcrysden] Installation of xcrysden
陈伟槟
bingmou2004 at gmail.com
Sat Feb 6 13:47:29 CET 2010
It's weird! Line 211 in bash file xcrysden is for cygwin not Linux and you
shouldn't execute this line when your system is Unix ! Is there a file named
"xcrys.dll" in your bin directory in Xcrysden directory?
在 2010年2月6日 下午7:11，Fendy Lovefaith <xyzfxbd at hotmail.com>写道：
> Dear 陈伟槟
>
> I'm sure the the enviroment variables XCRYSDEN_TOPDIR XCRYSDEN_SCRATCHhave been set right in ~/.bashrc,,,,,here is the profile of ~/.bashrc
>
> #------------------------------------------------------------------------
> # this is for XCRYSDEN 1.5.17; added by XCRYSDEN installation on
> # Sat Feb 6 18:53:17 CST 2010
>
> #------------------------------------------------------------------------
> XCRYSDEN_TOPDIR=/home/revival/XCrySDen-1.5.17-bin-semishared
> XCRYSDEN_SCRATCH=/home/revival/xcrys_temp
> export XCRYSDEN_TOPDIR XCRYSDEN_SCRATCH
>
> PATH="$XCRYSDEN_TOPDIR:$PATH:$XCRYSDEN_TOPDIR/scripts:$XCRYSDEN_TOPDIR/util"
>
> After that I try your suggestion to clean the ~/xcrys/temp using
> xc_cleanscratch and this is what happen :
>
> [revival at localhost scripts]$
> xc_cleanscratch
>
>
> XCRYSDEN_SCRATCH directory: /home/revival/xcrys_temp/ will be cleaned
> (i.e. rm -rf /home/revival/xcrys_temp/xc_*).
>
> The following files/directories will be deleted:
>
> /home/revival/xcrys_temp/xc_12460:
> /home/revival/xcrys_temp/xc_16975:
> /home/revival/xcrys_temp/xc_18305:
> /home/revival/xcrys_temp/xc_8401:
>
> Really delete? ([y]es/[n]o) y
>
> Deleting /home/revival/xcrys_temp/xc_* ... OK
>
> But again something strange when I want to source out the .bashrc
>
>
> [revival at localhost scripts]$ source ~/.bashrc
> bash: TMOUT: readonly variable
>
> Then I type again the execute command xcrysden and this is happen again :
>
> [revival at localhost scripts]$ xcrysden
>
>
> +----------------------------------------------------------------+
> |****************************************************************|
> |* *|
> |* XCrySDen - (X-Window) CRYstalline Structures and DENsities *|
> |* = === = === *|
> |*--------------------------------------------------------------*|
> |* *|
> |* Anton Kokalj (Tone.Kokalj at ijs.si) *|
> |* Jozef Stefan Institute, Ljubljana, Slovenia *|
> |* *|
> |* Copyright (c) 1996--2004 by Anton Kokalj *|
> |* *|
> |****************************************************************|
> +----------------------------------------------------------------+
>
> Version: 1.5.17
>
> Please report bugs to: Tone.Kokalj at 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/.
>
>
> TCL_LIBRARY=/home/revival/XCrySDen-1.5.17-bin-semishared/external/lib/tcl8.5
> XCRYSDEN_TOPDIR=/home/revival/XCrySDen-1.5.17-bin-semishared
> XCRYSDEN_SCRATCH=/home/revival/xcrys_temp
>
> Running on platform: unix
> Executing: /home/revival/XCrySDen-1.5.17-bin-semishared/bin/ftnunit
> /home/revival/XCrySDen-1.5.17-bin-semishared/xcrysden: line 211: 19666
> Aborted ${XCRYSDEN_TOPDIR}/bin/xcrys
> ${XCRYSDEN_TOPDIR}/Tcl/xcInit.tcl $USE -- $XCRYSDEN_TOPDIR $XCRYSDEN_SCRATCH
> $ARGS > /dev/null
>
> How do you think???
>
> Perhaps something wrong with the bash profile???
>
> Thanks 陈伟槟 ,,and ,,Anton Kokalj,,,,,your helps really affects
> much............I'm sure soon the XCRYSDEN can be run in my system
>
> GBU
>
> ------------------------------
> Date: Sat, 6 Feb 2010 14:41:27 +0800
> From: bingmou2004 at gmail.com
> To: xcrysden at democritos.it
>
> Subject: Re: [xcrysden] Installation of xcrysden
>
> try to read the end of your ~/.bashrc and found whether the enviroment
> variables XCRYSDEN_TOPDIR XCRYSDEN_SCRATCH have been set right. I guess
> Xcrysden didn't write anything to your bashrc to set the approximate value
> and when you started your xcrysden, it used the default values. However
> maybe there's ~/xcrys/temp in your home directory---that's why error
> happened.
> Hope it's useful for you!
>
>
> 在 2010年2月6日 下午12:40，Fendy Lovefaith <xyzfxbd at hotmail.com>写道：
>
> Dear 陈伟槟 ,,,,Anton Kokalj,,,,and XCrysden mailing list
>
> I have returned now and I read the email from 陈伟槟 and the big boss Anton
> Kokalj,,,,
>
> Now I understand that the xc-1.5.17-linux_x86-semishared.tar.gz is a
> compiled package.....However I found some strange result on my system,,,,so
> I type like this
>
> [revival at localhost ~]$ source ~/.bashrc
> bash: TMOUT: readonly variable
>
> Then I try to type xcrysden,,,,and this is the result :
>
> [revival at localhost ~]$ xcrysden
>
> +----------------------------------------------------------------+
> |****************************************************************|
> |* *|
> |* XCrySDen - (X-Window) CRYstalline Structures and DENsities *|
> |* = === = === *|
> |*--------------------------------------------------------------*|
> |* *|
> |* Anton Kokalj (Tone.Kokalj at ijs.si) *|
> |* Jozef Stefan Institute, Ljubljana, Slovenia *|
> |* *|
> |* Copyright (c) 1996--2004 by Anton Kokalj *|
> |* *|
> |****************************************************************|
> +----------------------------------------------------------------+
>
> Version: 1.5.17
>
> Please report bugs to: Tone.Kokalj at 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/.
>
>
> TCL_LIBRARY=/home/revival/XCrySDen-1.5.17-bin-semishared/external/lib/tcl8.5
>
> XCRYSDEN_TOPDIR=/home/revival/XCrySDen-1.5.17-bin-semishared
> XCRYSDEN_SCRATCH=/home/revival/xcrys_temp
>
> Running on platform: unix
> Executing: /home/revival/XCrySDen-1.5.17-bin-semishared/bin/ftnunit
> /home/revival/XCrySDen-1.5.17-bin-semishared/xcrysden: line 211: 14571
> Aborted ${XCRYSDEN_TOPDIR}/bin/xcrys
> ${XCRYSDEN_TOPDIR}/Tcl/xcInit.tcl $USE -- $XCRYSDEN_TOPDIR $XCRYSDEN_SCRATCH
> $ARGS > /dev/null
>
> I can not understand the meaning of the error message written above.....Is
> it mean that something is missing with the $XCRYSDEN_TOPDIR and
> $XCRYSDEN_SCRATCH???
>
> I think I need a help again to figure out what's wrong with my way of
> installation.......
>
> Thanks so much for everyone who helps until now
>
> GBU
> ------------------------------
> Date: Tue, 26 Jan 2010 17:40:48 +0800
> From: bingmou2004 at gmail.com
> To: tone.kokalj at ijs.si; xcrysden at democritos.it
>
> Subject: Re: [xcrysden] Installation of xcrysden
>
> Follow the big boss Tone Kokalj and I hope you get what you want.
>
> 2010/1/26 Tone Kokalj <tone.kokalj at ijs.si>
>
> On Tue, 2010-01-26 at 15:18 +0700, Fendy Lovefaith wrote:
> > Dear 陈伟槟 ,,,,Anton Kokalj,,,,and XCrysden mailing list
> >
> >
> > I'm so honored to receive many replies for the installation of
> > XCrysden,,,,so I have download the tar file for for 32-bit linux:
> > http://www.xcrysden.org/download/xc-1.5.17-linux_x86-semishared.tar.gz
> >
> >
> > and then I update the info in /.bashrc file like below
> >
> >
> > #------------------------------------------------------------------------
> > XCRYSDEN_TOPDIR=/home/revival/XCrySDen-1.5.17-bin-semishared
> > XCRYSDEN_SCRATCH=/home/revival/xcrys_temp
> > export XCRYSDEN_TOPDIR XCRYSDEN_SCRATCH
> > PATH="$XCRYSDEN_TOPDIR:$PATH:$XCRYSDEN_TOPDIR/ scripts:
> > $XCRYSDEN_TOPDIR/util"
>
> if your xcrysden is really
> in /home/revival/XCrySDen-1.5.17-bin-semishared, then all you need to do
> is:
>
> source ~/.bashrc
> xcrysden
>
> That's all. You don't need any make files, because
> xc-1.5.17-linux_x86-semishared.tar.gz is already compiled package.
>
> Regards, Tone
>
> --
> Anton Kokalj
> J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia
> (tel: +386-1-477-3523 // fax:+386-1-477-3822)
>
> Please, if possible, avoid sending me Word or PowerPoint attachments.
> See: http://www.gnu.org/philosophy/no-word-attachments.html
>
> _______________________________________________
> XCrySDen mailing list
> XCrySDen at democritos.it
> http://www.democritos.it/mailman/listinfo/xcrysden
>
>
>
>
> --
> 陈伟槟
> Chen Weibing
> 中科院半导体研究所超晶格国家实验室
> The State Key Laboratory for Superlattices and Microstructures
> Institute of Semiconductor, Chinese Academy of Science
>
>
> ------------------------------
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>
> _______________________________________________
> XCrySDen mailing list
> XCrySDen at democritos.it
> http://www.democritos.it/mailman/listinfo/xcrysden
>
>
>
>
> --
> 陈伟槟
> Chen Weibing
> 中科院半导体研究所超晶格国家实验室
> The State Key Laboratory for Superlattices and Microstructures
> Institute of Semiconductor, Chinese Academy of Science
>
>
> ------------------------------
> New Windows 7: Find the right PC for you. Learn more.<http://windows.microsoft.com/shop>
>
> _______________________________________________
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> XCrySDen at democritos.it
> http://www.democritos.it/mailman/listinfo/xcrysden
>
>
--
陈伟槟
Chen Weibing
中科院半导体研究所超晶格国家实验室
The State Key Laboratory for Superlattices and Microstructures
Institute of Semiconductor, Chinese Academy of Science
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