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I tried to run xcrysden and I get; </div>
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******</div>
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Version: 1.6.2<br>
******</div>
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XCRYSDEN_TOPDIR=/home/Programas/xcrysden-1.6.2</div>
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XCRYSDEN_SCRATCH=/home/pablo/xcrys_tmp</div>
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/home/Programas/xcrysden-1.6.2/xcrysden: line 275: /home/Programas/xcrysden-1.6.2/bin/xcrys: No such file or directory</div>
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<br>
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Pablo</div>
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<div id="divRplyFwdMsg" dir="ltr"><span style="font-family: Calibri, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);"><b>De:</b> xcrysden-bounces@democritos.it <xcrysden-bounces@democritos.it> en nombre de Gavin Abo <gabo13279@gmail.com><br>
<b>Enviado:</b> miércoles, 28 de agosto de 2024 01:11 a. m.<br>
<b>Para:</b> xcrysden@democritos.it <xcrysden@democritos.it><br>
<b>Asunto:</b> Re: [xcrysden] Running XCrySDen</span>
<div> </div>
</div>
<p style="margin-top: 0px; margin-bottom: 0px;">I tried it out. It seems to work as seen in the screenshot at:</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><a href="https://github.com/gsabo/xcrysden-Patches/blob/main/Fedora%2040%20XCrySDen%201.6.2.png" id="OWA42483a74-7627-adec-a132-8cc233a3e31e" class="x_moz-txt-link-freetext OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;" data-auth="NotApplicable">https://github.com/gsabo/xcrysden-Patches/blob/main/Fedora%2040%20XCrySDen%201.6.2.png</a></p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<p style="margin-top: 0px; margin-bottom: 0px;">Apparently, Fedora 40 ships with gcc version 14:</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<p style="margin-top: 0px; margin-bottom: 0px;">username@fedora:~$ gfortran --version<br>
GNU Fortran (GCC) 14.2.1 20240801 (Red Hat 14.2.1-1)<br>
Copyright (C) 2024 Free Software Foundation, Inc.<br>
This is free software; see the source for copying conditions. There is NO<br>
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<p style="margin-top: 0px; margin-bottom: 0px;">Most of the Fedora 34 steps still applied to Fedora 40, but I had to make some adjustments in order to get it to work as follows.</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<p style="margin-top: 0px; margin-bottom: 0px;">Since you already have Fedora 40 installed, you can skip to step 8 below.</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<p style="margin-top: 0px; margin-bottom: 0px;">1. Went to: <a href="https://getfedora.org/en/workstation/download/" id="OWA8d9e3c0d-ad52-84e3-455b-e385eb735e2c" class="x_moz-txt-link-freetext OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;" data-auth="NotApplicable">
https://getfedora.org/en/workstation/download/</a><br>
2. Downloaded Fedora Workstation 40:<br>
Fedora-Workstation-Live-x86_64-40-1.14.iso<br>
3. Downloaded Fedora Media Writer Windows:<br>
FedoraMediaWriter-win32-latest.exe<br>
4. Ran: FedoraMediaWriter-win32-latest.exe<br>
a. Clicked "I Agree"<br>
b. Clicked "Install"<br>
c. Clicked "Next"<br>
d. With "Run Fedora Media Writer" selected, clicked "Finish"<br>
e. Selected "Select .iso file", then clicked "Next"<br>
f. Clicked "Select..."<br>
g. Selected "Fedora-Workstation-Live-x86_64-40-1.14.iso", then clicked "Open"<br>
h. Selected USB Drive, then clicked "Write"<br>
i. Click "Finish"<br>
j. Closed the Fedora Media Write dialog (upper right x in window)<br>
5. Booted from the USB stick<br>
6. Installed Fedora 40<br>
a. Selected "Start Fedora-Workstation-Live 40"<br>
b. Clicked "Install Fedora..."<br>
c. Selected English and clicked Continue<br>
d. Clicked "Installation Destination"<br>
e. Clicked Done<br>
WARNING: The steps f-h will wipe everything for starting fresh with the drive.<br>
f. Clicked "Reclaim space"<br>
g. Clicked "Delete all"<br>
h. Clicked "Reclaim space"<br>
i. Clicked "Begin Installation"<br>
j. Clicked "Finish Installation"<br>
k. In Fedora Live, click on bar with power icon, click on power icon, click "Restart", click "Restart" button<br>
7. Setup Fedora 40<br>
a. Clicked "Start Setup"<br>
b. Click Skip (or setup Wi-Fi)<br>
c. Turn off "Location Services" and "Automatic Problem Reporting", then click Next<br>
d. Click "Enable Third-Party Repositories", then click Next <br>
e. Type a Full Name and Username and click Next<br>
f. Type a password and click Next<br>
g. Click "Start Using Fedora Linux"<br>
h. For tour prompt, click "Skip"<br>
8. Opened a terminal in Fedora 40 and performed the following:<br>
<br>
username@fedora:~$ sudo yum install patch ImageMagick openbabel mesa-libGL-devel mesa-libGLU-devel tcl-devel tk-devel fftw-devel libXmu-devel gfortran<br>
...<br>
Is this ok [y/N]: y<br>
...<br>
username@fedora:~$ wget <a href="https://sourceforge.net/projects/togl/files/Togl/2.0/Togl2.0-src.tar.gz/download" id="OWAe0f8ee18-cf1c-94b9-3041-ed454d0045c1" class="x_moz-txt-link-freetext OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;" data-auth="NotApplicable">
https://sourceforge.net/projects/togl/files/Togl/2.0/Togl2.0-src.tar.gz/download</a><br>
...<br>
username@fedora:~$ tar xvf download<br>
...<br>
username@fedora:~$ cd Togl2.0/<br>
<a href="mailto:username@fedora:~/Togl2.0$" id="OWA964f2b48-36d3-5781-b9cd-a65c53f78633" class="x_moz-txt-link-abbreviated OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;">username@fedora:~/Togl2.0$</a> ./configure --with-tcl=/usr/lib64 --with-tk=/usr/lib64
--enable-64bit<br>
...</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<p style="margin-top: 0px; margin-bottom: 0px;">The Togl 2.0 failed due the gcc version 14 compiler as seen here:</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><a href="mailto:username@fedora:~/Togl2.0$" id="OWA3b29a271-54d6-7c05-b126-5316e92f5b0a" class="x_moz-txt-link-abbreviated OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;">username@fedora:~/Togl2.0$</a> make<br>
gcc -DPACKAGE_NAME=\"Togl\" -DPACKAGE_TARNAME=\"togl\" -DPACKAGE_VERSION=\"2.0\" -DPACKAGE_STRING=\"Togl\ 2.0\" -DPACKAGE_BUGREPORT=\"\" -DSTDC_HEADERS=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_MEMORY_H=1 -DHAVE_STRINGS_H=1
-DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_UNISTD_H=1 -DHAVE_LIMITS_H=1 -DHAVE_SYS_PARAM_H=1 -DUSE_THREAD_ALLOC=1 -D_REENTRANT=1 -D_THREAD_SAFE=1 -DTCL_THREADS=1 -DMODULE_SCOPE=extern\ __attribute__\(\(__visibility__\(\"hidden\"\)\)\) -D_LARGEFILE64_SOURCE=1
-DTCL_WIDE_INT_IS_LONG=1 -DUSE_TCL_STUBS=1 -DUSE_TK_STUBS=1 -DAUTOSTEREOD=\"\" -I"/usr/include/tcl-private/generic" -I"/usr/include/tcl-private/unix" -I"/usr/include/tk-private/generic" -I"/usr/include/tk-private/unix" -I"/usr/include/tk-private/generic/ttk"
-pipe -m64 -O2 -fomit-frame-pointer -Wall -Wno-implicit-int -fPIC -c `echo togl.c` -o togl.o<br>
togl.c: In function ‘Togl_Init’:<br>
togl.c:928:26: error: assignment to ‘void (*)(struct Tk_Window_ *, Tk_ClassProcs *, void *)’ from incompatible pointer type ‘void (*)(struct Tk_Window_ *, const Tk_ClassProcs *, void *)’ [-Wincompatible-pointer-types]<br>
928 | SetClassProcsPtr = tkStubsPtr->tk_SetClassProcs;<br>
| ^<br>
make: *** [Makefile:357: togl.o] Error 1</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<p style="margin-top: 0px; margin-bottom: 0px;">However, I was able to patch it for continuing with the build:</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><a href="mailto:username@fedora:~/Togl2.0$" id="OWA6b636573-f94f-b07b-4d1c-9cd09bc6df0d" class="x_moz-txt-link-abbreviated OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;">username@fedora:~/Togl2.0$</a> wget
<a href="https://raw.githubusercontent.com/gsabo/xcrysden-Patches/main/togl.patch" id="OWA0a24280a-ac61-bf0e-bd62-91112a3563d6" class="x_moz-txt-link-freetext OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;" data-auth="NotApplicable">
https://raw.githubusercontent.com/gsabo/xcrysden-Patches/main/togl.patch</a></p>
<p style="margin-top: 0px; margin-bottom: 0px;"><a href="mailto:username@fedora:~/Togl2.0$" id="OWAbe7df230-7383-bc80-4596-423d61d07ad5" class="x_moz-txt-link-abbreviated OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;">username@fedora:~/Togl2.0$</a> patch
-b togl.c togl.patch<br>
<a href="mailto:username@fedora:~/Togl2.0$" id="OWA7c916173-6c0d-5b85-1be8-6b8d025cd91d" class="x_moz-txt-link-abbreviated OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;">username@fedora:~/Togl2.0$</a> make</p>
<p style="margin-top: 0px; margin-bottom: 0px;">...</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><a href="mailto:username@fedora:~/Togl2.0$" id="OWAf34ff8fe-892a-9b97-6f8c-f080515f4029" class="x_moz-txt-link-abbreviated OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;">username@fedora:~/Togl2.0$</a> cd
..<br>
username@fedora:~$ wget <a href="http://www.xcrysden.org/download/xcrysden-1.6.2.tar.gz" id="OWA900210b2-a859-08d8-4c9a-f5c4fc0cef82" class="x_moz-txt-link-freetext OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;" data-auth="NotApplicable">
http://www.xcrysden.org/download/xcrysden-1.6.2.tar.gz</a><br>
...<br>
username@fedora:~$ tar xvf xcrysden-1.6.2.tar.gz<br>
...<br>
username@fedora:~$ cd xcrysden-1.6.2/<br>
<a href="mailto:username@fedora:~/xcrysden-1.6.2$" id="OWAaf7f4d26-0927-6d40-bd75-0e23b56251ec" class="x_moz-txt-link-abbreviated OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;">username@fedora:~/xcrysden-1.6.2$</a> cp system/Make.sys-semishared Make.sys<br>
<a href="mailto:username@fedora:~/xcrysden-1.6.2$" id="OWA4873a6b7-14ce-af97-9067-351ef95c8fc8" class="x_moz-txt-link-abbreviated OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;">username@fedora:~/xcrysden-1.6.2$</a> wget
<a href="https://raw.githubusercontent.com/gsabo/xcrysden-Patches/main/Make-fedora34.patch" id="OWA460306b5-c677-9f6e-116c-89f056519295" class="x_moz-txt-link-freetext OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;" data-auth="NotApplicable">
https://raw.githubusercontent.com/gsabo/xcrysden-Patches/main/Make-fedora34.patch</a><br>
...<br>
<a href="mailto:username@fedora:~/xcrysden-1.6.2$" id="OWA396cbf60-c781-cd87-5812-213f2d11c505" class="x_moz-txt-link-abbreviated OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;">username@fedora:~/xcrysden-1.6.2$</a> patch -b Make.sys Make-fedora34.patch<br>
patching file Make.sys<br>
<a href="mailto:username@fedora:~/xcrysden-1.6.2$" id="OWA24ed30e3-747f-f0ee-7a04-327f9d986979" class="x_moz-txt-link-abbreviated OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;">username@fedora:~/xcrysden-1.6.2$</a> make all<br>
...</p>
<p style="margin-top: 0px; margin-bottom: 0px;">Note: username in commands below should be replaced with your user name.</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><a href="mailto:username@fedora:~/xcrysden-1.6.2$" id="OWAb08de46d-1549-c610-1893-2d08350e7662" class="x_moz-txt-link-abbreviated OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;">username@fedora:~/xcrysden-1.6.2$</a> echo
'export XCRYSDEN_TOPDIR=/home/username/xcrysden-1.6.2'>>~/.bashrc<br>
<a href="mailto:username@fedora:~/xcrysden-1.6.2$" id="OWAc392a9e2-59f0-e4d0-b94a-7a6bae59edf7" class="x_moz-txt-link-abbreviated OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;">username@fedora:~/xcrysden-1.6.2$</a> echo 'export PATH=$PATH:$XCRYSDEN_TOPDIR'>>~/.bashrc<br>
<a href="mailto:username@fedora:~/xcrysden-1.6.2$" id="OWA064a8d3b-3913-b8bb-c44b-b4bc9e877926" class="x_moz-txt-link-abbreviated OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;">username@fedora:~/xcrysden-1.6.2$</a> echo 'export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/username/Togl2.0'>>~/.bashrc<br>
<a href="mailto:username@fedora:~/xcrysden-1.6.2$" id="OWAae015121-1be7-38e2-d7ff-4f0455f6129e" class="x_moz-txt-link-abbreviated OWAAutoLink" style="margin-top: 0px; margin-bottom: 0px;">username@fedora:~/xcrysden-1.6.2$</a> source ~/.bashrc</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<p style="margin-top: 0px; margin-bottom: 0px;">Best Regards,</p>
<p style="margin-top: 0px; margin-bottom: 0px;">Gavin</p>
<p style="margin-top: 0px; margin-bottom: 0px;">XCrySDen user</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<div>On 8/26/2024 10:56 PM, delamora wrote:</div>
<blockquote>
<div style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
Dear Gavin,</div>
<div style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
Thank for your reply, I will try it.</div>
<div style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
Yes, I have the Fedora 40</div>
<div style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
Pablo</div>
<hr style="display: inline-block; width: 98%;">
<div id="x_divRplyFwdMsg" dir="ltr">
<div style="font-family: Calibri, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">
The issue might be because the version of Fedora that you are using does not have the operating system library that it needs to load ftnunit. Thus, the "error while loading" error.</div>
</div>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<p style="margin-top: 0px; margin-bottom: 0px;">What is the Fedora version? The xcrysden-1.5.60-bin-semishared worked with around Fedora versions 25 to 27.</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<p style="margin-top: 0px; margin-bottom: 0px;">With Fedora 34, xcrysden 1.6.2 was used, but it had to be compiled.</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<p style="margin-top: 0px; margin-bottom: 0px;">The compile steps used were given the post at:</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><a href="http://www.democritos.it/pipermail/xcrysden/2021-April/002050.html" id="OWA4389c8ce-bec4-13d4-532b-0fa85585026a" class="x_x_moz-txt-link-freetext x_OWAAutoLink x_moz-txt-link-freetext" style="margin-top: 0px; margin-bottom: 0px;" data-auth="NotApplicable">http://www.democritos.it/pipermail/xcrysden/2021-April/002050.html</a></p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<p style="margin-top: 0px; margin-bottom: 0px;">At <a href="https://fedoraproject.org" id="OWAcb78a8a6-0022-78b9-7dc9-6abb517a4439" class="x_x_moz-txt-link-freetext x_OWAAutoLink x_moz-txt-link-freetext" style="margin-top: 0px; margin-bottom: 0px;" data-auth="NotApplicable">
https://fedoraproject.org</a> , I see that Fedora is now at version 40. I've not tried XCrySDen 1.6.2 with that version if that is what you are using.</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<p style="margin-top: 0px; margin-bottom: 0px;">With some other code packages, I have seen some GNU compiler compatibility issues encountered with newer Linux distributions that release with gcc/g++ version 13. With Ubuntu 24.04 LTS that comes with gcc/g++
version 13, though, I was able to fall back as a workaround (while waiting to see if the code developers would provide new versions with code changes for working with the newer compilers) for example by installing a g++ version 10 package using "sudo apt install
g++-10". Don't know yet if there are any issues compiling XCrySDen 1.6.2 with the latest gcc versions or if Fedora has a similar fall back package that can be installed like Ubuntu.</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<p style="margin-top: 0px; margin-bottom: 0px;">Kind Regards,</p>
<p style="margin-top: 0px; margin-bottom: 0px;">Gavin</p>
<p style="margin-top: 0px; margin-bottom: 0px;">XCrySDen user</p>
<p style="margin-top: 0px; margin-bottom: 0px;"><br>
</p>
<div>On 8/26/2024 2:24 PM, delamora wrote:</div>
<blockquote>
<div style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
I have Fedora Linux</div>
<div style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
I installed xcrysden-1.5.60-bin-semishared, but when I try to open it</div>
<div style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
"xcrysden"</div>
<div style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
it does not open, it gives the error;</div>
<div style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
<br>
</div>
<div style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
/home/Programas/xcrysden-1.5.60-bin-semishared/bin/ftnunit: error while loading</div>
<div style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
<br>
</div>
<div style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
How can I fix it</div>
<div style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
<br>
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Pablo</div>
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