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<p>It might not work for other Linux distributions, but should it
help, the following is what I did to install XCrySDen 1.6.2 for
Ubuntu 22.04.2 LTS [1].</p>
<p><br>
</p>
<p>First, I checked if my system was set to Wayland or X11 [2]:</p>
<p><br>
</p>
<p>username@computername:~/Desktop$ grep Wayland
/etc/gdm3/custom.conf<br>
#WaylandEnable=false<br>
</p>
<p><br>
</p>
<p>The above shows that Ubuntu after installation was set to
Wayland.</p>
<p><br>
</p>
<p>For using sudo commands, I had to be an administrator (or I had
to ask my administrator to do those steps).</p>
<p><br>
</p>
<p>The custom.conf file was edited [3]:<br>
</p>
<p><br>
</p>
<p>username@computername:~/Desktop$ sudo gedit /etc/gdm3/custom.conf<br>
...</p>
<p>username@computername:~/Desktop$ grep Wayland
/etc/gdm3/custom.conf<br>
WaylandEnable=false<br>
</p>
<p><br>
</p>
<p>The above shows the edit to custom.conf that removed the comment
(#) for setting Wayland to false for enabling X11.</p>
<p><br>
</p>
<p>The computer was restarted to change Wayland to X11.</p>
<p><br>
</p>
<p>XCrySDen 1.6.2 was installed using:<br>
</p>
<p><br>
</p>
<p>username@computername:~/Desktop$ sudo apt install xcrysden<br>
...<br>
</p>
<p><br>
</p>
<p>Since I wanted to use XCrySDen in w2web, XCRYSDEN_TOPDIR variable
was set in the .basrhc using:</p>
<p><br>
</p>
<p>username@computername:~/Desktop$ gedit ~/.bashrc<br>
username@computername:~/Desktop$ grep XCRYSDEN ~/.bashrc<br>
export XCRYSDEN_TOPDIR=/usr/bin<br>
username@computername:~/Desktop$ source ~/.bashrc<br>
</p>
<p><br>
</p>
<p>The w2web was started up:</p>
<p><br>
</p>
<p>username@computername:~/Desktop$ w2web<br>
...<br>
</p>
<p><br>
</p>
<p>Then, I navigated to and clicked "view structure" in w2web.
Then, the struct file was displayed [4].<br>
</p>
<p><br>
</p>
<p>[1] <a class="moz-txt-link-freetext" href="https://ubuntu.com/download/desktop">https://ubuntu.com/download/desktop</a><br>
</p>
<p>[2]
<a class="moz-txt-link-freetext" href="https://unix.stackexchange.com/questions/202891/how-to-know-whether-wayland-or-x11-is-being-used">https://unix.stackexchange.com/questions/202891/how-to-know-whether-wayland-or-x11-is-being-used</a></p>
<p>[3]
<a class="moz-txt-link-freetext" href="https://askubuntu.com/questions/1410256/how-do-i-use-x-instead-of-wayland-on-22-04">https://askubuntu.com/questions/1410256/how-do-i-use-x-instead-of-wayland-on-22-04</a>
<br>
</p>
<p>[4]
<a class="moz-txt-link-freetext" href="https://raw.githubusercontent.com/gsabo/xcrysden-Patches/main/Ubuntu%2022.04.2%20XCrySDen%201.6.2.png">https://raw.githubusercontent.com/gsabo/xcrysden-Patches/main/Ubuntu%2022.04.2%20XCrySDen%201.6.2.png</a>
</p>
<p><br>
</p>
<p>Kind Regards,</p>
<p>Gavin</p>
WIEN2k user
<p></p>
<p><br>
</p>
<div class="moz-cite-prefix">On 3/25/2023 1:47 AM, Peter Blaha
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:ee544e04-2863-6a3e-8c7c-a2a2a49f36ba@tuwien.ac.at">
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
<p>The semishared version has most libraries included and runs on
almost any Linux system.</p>
<p>For the more recent version, the developers provide only a
"shared" version, i.e. most libraries are NOT included, but must
be present on your Linux system.</p>
<p>On their website it is mentioned what libraries you need. At
least you miss</p>
<p><span class="x_ContentPasted0 x_ContentPasted1 x_ContentPasted2
x_ContentPasted3" style="font-size: 12pt; background-color:
rgb(255, 255, 255);">libfftw3.so.3</span></p>
<p><span class="x_ContentPasted0 x_ContentPasted1 x_ContentPasted2
x_ContentPasted3" style="font-size: 12pt; background-color:
rgb(255, 255, 255);">but probably also others.</span></p>
<p><span class="x_ContentPasted0 x_ContentPasted1 x_ContentPasted2
x_ContentPasted3" style="font-size: 12pt; background-color:
rgb(255, 255, 255);"><br>
</span></p>
<p><span class="x_ContentPasted0 x_ContentPasted1 x_ContentPasted2
x_ContentPasted3" style="font-size: 12pt; background-color:
rgb(255, 255, 255);">PS: I still use on most computers 1.5.60,
as I do not want to install all the necessary libraries on
all my machines.</span></p>
<p><span class="x_ContentPasted0 x_ContentPasted1 x_ContentPasted2
x_ContentPasted3" style="font-size: 12pt; background-color:
rgb(255, 255, 255);"><br>
</span></p>
<p><br>
</p>
<div class="moz-cite-prefix">Am 25.03.2023 um 01:31 schrieb
delamora:<br>
</div>
<blockquote type="cite"
cite="mid:SN6PR06MB5311877548468FA70EA18A17CB859@SN6PR06MB5311.namprd06.prod.outlook.com">
<meta http-equiv="Content-Type" content="text/html;
charset=UTF-8">
<style type="text/css" style="display:none;">P {margin-top:0;margin-bottom:0;}</style>
<div style="font-family: Calibri, Arial, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0); background-color:
rgb(255, 255, 255);" class="elementToProof"> The only
difference is <br>
</div>
<div style="font-family: Calibri, Arial, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0); background-color:
rgb(255, 255, 255);" class="elementToProof"> semishared =>
shared<br>
</div>
<div style="font-family: Calibri, Arial, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);"> <br>
</div>
<hr tabindex="-1" style="display:inline-block; width:98%">
<div id="divRplyFwdMsg" dir="ltr"><font style="font-size: 11pt;
color: rgb(0, 0, 0);" face="Calibri, sans-serif"><b>De:</b>
Wien <a class="moz-txt-link-rfc2396E"
href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at"
moz-do-not-send="true"><wien-bounces@zeus.theochem.tuwien.ac.at></a>
en nombre de delamora <a class="moz-txt-link-rfc2396E"
href="mailto:delamora@unam.mx" moz-do-not-send="true"><delamora@unam.mx></a><br>
<b>Enviado:</b> viernes, 24 de marzo de 2023 06:28 p. m.<br>
<b>Para:</b> A Mailing list for WIEN2k users <a
class="moz-txt-link-rfc2396E"
href="mailto:wien@zeus.theochem.tuwien.ac.at"
moz-do-not-send="true"><wien@zeus.theochem.tuwien.ac.at></a><br>
<b>Asunto:</b> [Wien] XCrySDen Version: 1.6.2</font>
<div> </div>
</div>
<div dir="ltr">
<div class="x_elementToProof" style="font-family: Calibri,
Arial, Helvetica, sans-serif; font-size: 12pt; color: rgb(0,
0, 0); background-color: rgb(255, 255, 255);"> Dear WIEN2k
community</div>
<div class="x_elementToProof" style="font-family: Calibri,
Arial, Helvetica, sans-serif; font-size: 12pt; color: rgb(0,
0, 0); background-color: rgb(255, 255, 255);"> I am having
trouble with XCrySDen, if I use;</div>
<div class="x_elementToProof x_ContentPasted0"
style="font-family: Calibri, Arial, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0); background-color:
rgb(255, 255, 255);">
xcrysden-1.5.60-bin-semishared</div>
<div class="x_elementToProof x_ContentPasted0"
style="font-family: Calibri, Arial, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0); background-color:
rgb(255, 255, 255);"> I have no problem, but if I use </div>
<div class="x_elementToProof x_ContentPasted0
x_ContentPasted1" style="font-family: Calibri, Arial,
Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);"> <span
class="x_ContentPasted0" style="font-size: 12pt;
background-color: rgb(255, 255, 255);"></span><span
class="x_ContentPasted0 x_ContentPasted1 x_ContentPasted2"
style="font-size: 12pt; background-color: rgb(255, 255,
255);"> xcrysden-1.6.2-bin-shared</span></div>
<br>
<div class="x_elementToProof x_ContentPasted0
x_ContentPasted1" style="font-family: Calibri, Arial,
Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);"> <span
class="x_ContentPasted0 x_ContentPasted1 x_ContentPasted2
x_ContentPasted3" style="font-size: 12pt;
background-color: rgb(255, 255, 255);">+-----------------------------------------------------------------+
<div class="x_ContentPasted3">|*****************************************************************|</div>
<div class="x_ContentPasted3">|*
*|</div>
<div class="x_ContentPasted3">|* XCrySDen -- (X-Window)
CRYstalline Structures and DENsities *|</div>
<div class="x_ContentPasted3">|* =
=== = === *|</div>
<div class="x_ContentPasted3">|*---------------------------------------------------------------*|</div>
<div class="x_ContentPasted3">|*
*|</div>
<div class="x_ContentPasted3">|* Anton Kokalj (<a
class="moz-txt-link-abbreviated moz-txt-link-freetext"
href="mailto:tone.kokalj@ijs.si"
moz-do-not-send="true">tone.kokalj@ijs.si</a>)
*|</div>
<div class="x_ContentPasted3">|* Jozef Stefan
Institute, Ljubljana, Slovenia *|</div>
<div class="x_ContentPasted3">|*
*|</div>
<div class="x_ContentPasted3">|* Copyright (c)
1996--2019 by Anton Kokalj *|</div>
<div class="x_ContentPasted3">|*
*|</div>
<div class="x_ContentPasted3">|*****************************************************************|</div>
<div class="x_ContentPasted3">+-----------------------------------------------------------------+</div>
<div><br class="x_ContentPasted3">
</div>
<div class="x_ContentPasted3"> Version: 1.6.2</div>
<div><br class="x_ContentPasted3">
</div>
<div class="x_ContentPasted3"> Please report bugs to: <a
class="moz-txt-link-abbreviated moz-txt-link-freetext"
href="mailto:tone.kokalj@ijs.si"
moz-do-not-send="true">tone.kokalj@ijs.si</a></div>
<div><br class="x_ContentPasted3">
</div>
<div><br class="x_ContentPasted3">
</div>
<div class="x_ContentPasted3"> TERMS OF USE:</div>
<div class="x_ContentPasted3"> -------------</div>
<div class="x_ContentPasted3"> XCRYSDEN is released under
the GNU General Public License.</div>
<div><br class="x_ContentPasted3">
</div>
<div class="x_ContentPasted3"> Whenever graphics
generated by XCRYSDEN are used in scientific</div>
<div class="x_ContentPasted3"> publications, it shall be
greatly appreciated to include an explicit</div>
<div class="x_ContentPasted3"> reference. The preferred
form is the following:</div>
<div><br class="x_ContentPasted3">
</div>
<div class="x_ContentPasted3"> [ref] A. Kokalj, J. Mol.
Graph. Model., Vol. 17, pp. 176-179, 1999.</div>
<div class="x_ContentPasted3"> Code available from
<a class="moz-txt-link-freetext"
href="http://www.xcrysden.org/" moz-do-not-send="true">http://www.xcrysden.org/</a>.</div>
<div><br class="x_ContentPasted3">
</div>
<div class="x_ContentPasted3">XCRYSDEN_TOPDIR=/home/Programas/xcrysden-1.6.2-bin-shared</div>
<div class="x_ContentPasted3">XCRYSDEN_SCRATCH=/home/pablo/xcrys_tmp</div>
<div><br class="x_ContentPasted3">
</div>
<div class="x_ContentPasted3">/home/Programas/xcrysden-1.6.2-bin-shared/bin/xcrys:
error while loading shared libraries: libfftw3.so.3:
cannot open shared object file: No such file or
directory</div>
<div class="x_ContentPasted3"><br>
</div>
<div class="x_ContentPasted3">-----------------</div>
<div class="x_ContentPasted3">For the <br>
</div>
<div class="x_ContentPasted3"><span
class="x_ContentPasted0" style="font-size: 12pt;
background-color: rgb(255, 255, 255);"></span><span
class="x_ContentPasted0 x_ContentPasted1
x_ContentPasted4" style="font-size: 12pt;
background-color: rgb(255, 255, 255);">
xcrysden-1.5.60-bin-shared</span></div>
<div class="x_ContentPasted3">I get the same answer,
except for the line</div>
<div class="x_ContentPasted3"> "<span
class="x_ContentPasted0 x_ContentPasted1
x_ContentPasted2 x_ContentPasted3 x_ContentPasted5"
style="font-size: 12pt; background-color: rgb(255,
255, 255);">Version: 1.6.2</span>"<br>
</div>
<div class="x_ContentPasted3"><br>
</div>
<div class="x_ContentPasted3">Saludos</div>
<div class="x_ContentPasted3"><br>
</div>
<div class="x_ContentPasted3">Pablo<br>
</div>
<div class="x_ContentPasted3"><br>
</div>
<br>
</span></div>
</div>
<br>
<fieldset class="moz-mime-attachment-header"></fieldset>
<pre class="moz-quote-pre" wrap="">_______________________________________________
Wien mailing list
<a class="moz-txt-link-abbreviated moz-txt-link-freetext" href="mailto:Wien@zeus.theochem.tuwien.ac.at" moz-do-not-send="true">Wien@zeus.theochem.tuwien.ac.at</a>
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" moz-do-not-send="true">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a>
SEARCH the MAILING-LIST at: <a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" moz-do-not-send="true">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a>
</pre>
</blockquote>
<pre class="moz-signature" cols="72">--
-----------------------------------------------------------------------
Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: <a class="moz-txt-link-abbreviated moz-txt-link-freetext" href="mailto:peter.blaha@tuwien.ac.at" moz-do-not-send="true">peter.blaha@tuwien.ac.at</a>
WWW: <a class="moz-txt-link-freetext" href="http://www.imc.tuwien.ac.at" moz-do-not-send="true">http://www.imc.tuwien.ac.at</a> WIEN2k: <a class="moz-txt-link-freetext" href="http://www.wien2k.at" moz-do-not-send="true">http://www.wien2k.at</a>
-------------------------------------------------------------------------</pre>
</blockquote>
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