Re: [Wien] XCrySDen Version: 1.6.2
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]. First, I checked if my system was set to Wayland or X11 [2]: username@computername:~/Desktop$ grep Wayland /etc/gdm3/custom.conf #WaylandEnable=false The above shows that Ubuntu after installation was set to Wayland. For using sudo commands, I had to be an administrator (or I had to ask my administrator to do those steps). The custom.conf file was edited [3]: username@computername:~/Desktop$ sudo gedit /etc/gdm3/custom.conf ... username@computername:~/Desktop$ grep Wayland /etc/gdm3/custom.conf WaylandEnable=false The above shows the edit to custom.conf that removed the comment (#) for setting Wayland to false for enabling X11. The computer was restarted to change Wayland to X11. XCrySDen 1.6.2 was installed using: username@computername:~/Desktop$ sudo apt install xcrysden ... Since I wanted to use XCrySDen in w2web, XCRYSDEN_TOPDIR variable was set in the .basrhc using: username@computername:~/Desktop$ gedit ~/.bashrc username@computername:~/Desktop$ grep XCRYSDEN ~/.bashrc export XCRYSDEN_TOPDIR=/usr/bin username@computername:~/Desktop$ source ~/.bashrc The w2web was started up: username@computername:~/Desktop$ w2web ... Then, I navigated to and clicked "view structure" in w2web. Then, the struct file was displayed [4]. [1] https://ubuntu.com/download/desktop [2] https://unix.stackexchange.com/questions/202891/how-to-know-whether-wayland-or-x11-is-being-used [3] https://askubuntu.com/questions/1410256/how-do-i-use-x-instead-of-wayland-on-22-04 [4] https://raw.githubusercontent.com/gsabo/xcrysden-Patches/main/Ubuntu%2022.04.2%20XCrySDen%201.6.2.png Kind Regards, Gavin WIEN2k user On 3/25/2023 1:47 AM, Peter Blaha wrote: The semishared version has most libraries included and runs on almost any Linux system. 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. On their website it is mentioned what libraries you need. At least you miss libfftw3.so.3 but probably also others. 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. Am 25.03.2023 um 01:31 schrieb delamora: The only difference is semishared => shared *De:* Wien en nombre de delamora *Enviado:* viernes, 24 de marzo de 2023 06:28 p. m. *Para:* A Mailing list for WIEN2k users *Asunto:* [Wien] XCrySDen Version: 1.6.2 Dear WIEN2k community I am having trouble with XCrySDen, if I use; xcrysden-1.5.60-bin-semishared I have no problem, but if I use xcrysden-1.6.2-bin-shared +-+ |*| |* *| |* XCrySDen -- (X-Window) CRYstalline Structures and DENsities *| |* = === = === *| |*---*| |* *| |* Anton Kokalj (tone.kok...@ijs.si) *| |* Jozef Stefan Institute, Ljubljana, Slovenia *| |* *| |* Copyright (c) 1996--2019 by Anton Kokalj *| |* *| |*| +-+ Version: 1.6.2 Please report bugs to: tone.kok...@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, J. Mol. Graph. Model., Vol. 17, pp. 176-179, 1999. Code available from http://www.xcrysden.org/. XCRYSDEN_TOPDIR=/home/Programas/xcrysden-1.6.2-bin-shared XCRYSDEN_SCRATCH=/home/pablo/xcrys_tmp /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 - For the xcrysden-1.5.60-bin-shared I get the same answer, except for the line "Version: 1.6.2" Saludos Pablo ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at:http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html -- --- Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-10
Re: [Wien] XCrySDen Version: 1.6.2
The semishared version has most libraries included and runs on almost any Linux system. 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. On their website it is mentioned what libraries you need. At least you miss libfftw3.so.3 but probably also others. 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. Am 25.03.2023 um 01:31 schrieb delamora: The only difference is semishared => shared *De:* Wien en nombre de delamora *Enviado:* viernes, 24 de marzo de 2023 06:28 p. m. *Para:* A Mailing list for WIEN2k users *Asunto:* [Wien] XCrySDen Version: 1.6.2 Dear WIEN2k community I am having trouble with XCrySDen, if I use; xcrysden-1.5.60-bin-semishared I have no problem, but if I use xcrysden-1.6.2-bin-shared +-+ |*| |* *| |* XCrySDen -- (X-Window) CRYstalline Structures and DENsities *| |* = === = === *| |*---*| |* *| |* Anton Kokalj (tone.kok...@ijs.si) *| |* Jozef Stefan Institute, Ljubljana, Slovenia *| |* *| |* Copyright (c) 1996--2019 by Anton Kokalj *| |* *| |*| +-+ Version: 1.6.2 Please report bugs to: tone.kok...@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, J. Mol. Graph. Model., Vol. 17, pp. 176-179, 1999. Code available from http://www.xcrysden.org/. XCRYSDEN_TOPDIR=/home/Programas/xcrysden-1.6.2-bin-shared XCRYSDEN_SCRATCH=/home/pablo/xcrys_tmp /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 - For the xcrysden-1.5.60-bin-shared I get the same answer, except for the line "Version: 1.6.2" Saludos Pablo ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at:http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html -- --- Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-158801165300 Email:peter.bl...@tuwien.ac.at WWW:http://www.imc.tuwien.ac.at WIEN2k:http://www.wien2k.at - ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] XCrySDen Version: 1.6.2
The only difference is semishared => shared De: Wien en nombre de delamora Enviado: viernes, 24 de marzo de 2023 06:28 p. m. Para: A Mailing list for WIEN2k users Asunto: [Wien] XCrySDen Version: 1.6.2 Dear WIEN2k community I am having trouble with XCrySDen, if I use; xcrysden-1.5.60-bin-semishared I have no problem, but if I use xcrysden-1.6.2-bin-shared +-+ |*| |* *| |* XCrySDen -- (X-Window) CRYstalline Structures and DENsities *| |* = === = ===*| |*---*| |* *| |*Anton Kokalj (tone.kok...@ijs.si) *| |*Jozef Stefan Institute, Ljubljana, Slovenia*| |* *| |*Copyright (c) 1996--2019 by Anton Kokalj *| |* *| |*| +-+ Version: 1.6.2 Please report bugs to: tone.kok...@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, J. Mol. Graph. Model., Vol. 17, pp. 176-179, 1999. Code available from http://www.xcrysden.org/. XCRYSDEN_TOPDIR=/home/Programas/xcrysden-1.6.2-bin-shared XCRYSDEN_SCRATCH=/home/pablo/xcrys_tmp /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 - For the xcrysden-1.5.60-bin-shared I get the same answer, except for the line "Version: 1.6.2" Saludos Pablo ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] XCrySDen Version: 1.6.2
Dear WIEN2k community I am having trouble with XCrySDen, if I use; xcrysden-1.5.60-bin-semishared I have no problem, but if I use xcrysden-1.6.2-bin-shared +-+ |*| |* *| |* XCrySDen -- (X-Window) CRYstalline Structures and DENsities *| |* = === = ===*| |*---*| |* *| |*Anton Kokalj (tone.kok...@ijs.si) *| |*Jozef Stefan Institute, Ljubljana, Slovenia*| |* *| |*Copyright (c) 1996--2019 by Anton Kokalj *| |* *| |*| +-+ Version: 1.6.2 Please report bugs to: tone.kok...@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, J. Mol. Graph. Model., Vol. 17, pp. 176-179, 1999. Code available from http://www.xcrysden.org/. XCRYSDEN_TOPDIR=/home/Programas/xcrysden-1.6.2-bin-shared XCRYSDEN_SCRATCH=/home/pablo/xcrys_tmp /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 - For the xcrysden-1.5.60-bin-shared I get the same answer, except for the line "Version: 1.6.2" Saludos Pablo ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
