From reyesabdul at gmail.com Tue Aug 20 01:43:47 2019 From: reyesabdul at gmail.com (Abdul Reyes) Date: Mon, 19 Aug 2019 18:43:47 -0500 Subject: [xcrysden] Help Debian 10 buster installation Message-ID: Dear all. I have Debian 10 buster, and I want to install XCrysden as in ubuntu, but I have some errors: ####--------####### In file included from /home/reyesabdul/Descargas/xcrysden-1.5.60/external/src/tk8.5.11/unix/../generic/tkInt.h:19, from /home/reyesabdul/Descargas/xcrysden-1.5.60/external/src/tk8.5.11/unix/../generic/tk3d.c:14: /home/reyesabdul/Descargas/xcrysden-1.5.60/external/src/tk8.5.11/unix/../generic/tk.h:76:11: fatal error: X11/Xlib.h: No such file or directory # include ^~~~~~~~~~~~ compilation terminated. make[2]: *** [Makefile:908: tk3d.o] Error 1 make[2]: Leaving directory '/home/reyesabdul/Descargas/xcrysden-1.5.60/external/src/tk8.5.11/unix' make[1]: *** [Makefile:42: tk] Error 2 make[1]: Leaving directory '/home/reyesabdul/Descargas/xcrysden-1.5.60/external/src' make: *** [Makefile:45: tk] Error 2 ####--------####### Can yoy help me to install? -- Abdul M. Reyes -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/xcrysden/attachments/20190819/2418b1f2/attachment.htm From gsabo at crimson.ua.edu Tue Aug 20 04:21:30 2019 From: gsabo at crimson.ua.edu (Gavin Abo) Date: Mon, 19 Aug 2019 20:21:30 -0600 Subject: [xcrysden] Help Debian 10 buster installation In-Reply-To: References: Message-ID: <6d820520-2714-680e-2672-a04ba71386e6@crimson.ua.edu> I just tried and the xcrysden semishared binary package successfully ran on Debian 10.0.0 (buster) installed on a USB stick. 1. Went to: https://cdimage.debian.org/debian-cd/current-live/amd64/iso-hybrid/ 2. Downloaded: debian-live-10.0.0-amd64-gnome.iso 3. Went to: http://linuxliveusb.com/ 4. Downloaded: LinuxLive USB Creator 2.9.4.exe 5. Ran: LinuxLive USB Creator 2.9.4.exe a. Clicked OK b. Clicked Next c. Clicked Install d. Clicked Next e. "Run LinuxLive USB Creator" should be checked, then clicked Finish 6. In LinuxLive USB Creator: a. For Choose Your Key, selected the USB stick b. For Choose a Source, selected ISO/IMG/ZIP, and select debian-live-10.0.0-amd64-gnome.iso c. For Persistence, Live Mode d. Clicked the lightning icon to start the creation of the bootable USB stick 7. Booted from the USB stick a. Clicked Debian GNU/Linux Live (kernel 4.19.0-5-amd64) b. Connected to the Internet (Had to use a Wire Connected cable as wireless did not work for me.? For wireless, likely would need to Wifi setup based on [ https://wiki.debian.org/WiFi ]) 8. Opened a terminal and performed the following: user at debian:~$ sudo apt install wget ... user at debian:~$ wget http://www.xcrysden.org/download/xcrysden-1.5.60-linux_x86_64-semishared.tar.gz ... user at debian:~$ tar xvf xcrysden-1.5.60-linux_x86_64-semishared.tar.gz ... user at debian:~$ cd xcrysden-1.5.60-bin-semishared/scripts/ user at debian:~/xcrysden-1.5.60-bin-semishared/scripts$ ./xcConfigure.sh ... ?? Used defaults ?? Do you have a CRYSTAL package ([y]es/[n]o): n ?? Is this correct ([y]es/[n]o): y ... ?? Would you like to add xcrysden icon to the desktop ([y]es/[n]o): y ... user at debian:~/xcrysden-1.5.60-bin-semishared/scripts$ source ~/.bashrc user at debian:~/xcrysden-1.5.60-bin-semishared/scripts$ xcrysden On 8/19/2019 5:43 PM, Abdul Reyes wrote: > > Dear all. > I have Debian 10 buster, and I want to install XCrysden as in ubuntu, > but I have some errors: > > ####--------####### > In file included from > /home/reyesabdul/Descargas/xcrysden-1.5.60/external/src/tk8.5.11/unix/../generic/tkInt.h:19, > ? ? ? ? ? ? ? ? ?from > /home/reyesabdul/Descargas/xcrysden-1.5.60/external/src/tk8.5.11/unix/../generic/tk3d.c:14: > /home/reyesabdul/Descargas/xcrysden-1.5.60/external/src/tk8.5.11/unix/../generic/tk.h:76:11: > fatal error: X11/Xlib.h: No such file or directory > ?# include > ? ? ? ? ? ?^~~~~~~~~~~~ > compilation terminated. > make[2]: *** [Makefile:908: tk3d.o] Error 1 > make[2]: Leaving directory > '/home/reyesabdul/Descargas/xcrysden-1.5.60/external/src/tk8.5.11/unix' > make[1]: *** [Makefile:42: tk] Error 2 > make[1]: Leaving directory > '/home/reyesabdul/Descargas/xcrysden-1.5.60/external/src' > make: *** [Makefile:45: tk] Error 2 > ####--------####### > > Can yoy help me to install? > > -- > Abdul M. Reyes -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/xcrysden/attachments/20190819/882ba0e3/attachment.htm From reyesabdul at gmail.com Thu Aug 22 01:06:13 2019 From: reyesabdul at gmail.com (Abdul Reyes) Date: Wed, 21 Aug 2019 18:06:13 -0500 Subject: [xcrysden] Help Debian 10 buster installation In-Reply-To: References: Message-ID: Thanks to all. Problem was solved. El lun., 19 de ago. de 2019 a la(s) 18:43, Abdul Reyes (reyesabdul at gmail.com) escribi?: > > Dear all. > I have Debian 10 buster, and I want to install XCrysden as in ubuntu, but > I have some errors: > > ####--------####### > In file included from > /home/reyesabdul/Descargas/xcrysden-1.5.60/external/src/tk8.5.11/unix/../generic/tkInt.h:19, > from > /home/reyesabdul/Descargas/xcrysden-1.5.60/external/src/tk8.5.11/unix/../generic/tk3d.c:14: > /home/reyesabdul/Descargas/xcrysden-1.5.60/external/src/tk8.5.11/unix/../generic/tk.h:76:11: > fatal error: X11/Xlib.h: No such file or directory > # include > ^~~~~~~~~~~~ > compilation terminated. > make[2]: *** [Makefile:908: tk3d.o] Error 1 > make[2]: Leaving directory > '/home/reyesabdul/Descargas/xcrysden-1.5.60/external/src/tk8.5.11/unix' > make[1]: *** [Makefile:42: tk] Error 2 > make[1]: Leaving directory > '/home/reyesabdul/Descargas/xcrysden-1.5.60/external/src' > make: *** [Makefile:45: tk] Error 2 > ####--------####### > > Can yoy help me to install? > > -- > Abdul M. Reyes > -- Abdul M. Reyes -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/xcrysden/attachments/20190821/e32f1eba/attachment.htm From wcyu.physics at gmail.com Mon Aug 26 07:04:52 2019 From: wcyu.physics at gmail.com (wcyu.physics at gmail.com) Date: Mon, 26 Aug 2019 13:04:52 +0800 Subject: [xcrysden] Error in visualizing WIEN2k struct file Message-ID: <002801d55bcb$cc653090$652f91b0$@gmail.com> Dear all, I have some troubles in visualizing the WIEN2k case.struct file in Xcrysden. When opening a wien2k structure file in Xcrysden, I got a message about getting an error while executing the str2xrc program. I have tried version 1.5.60 and version 1.5.25 and got the same error. I also tried the suggestion in this post : http://www.democritos.it/pipermail/xcrysden/2015-January/001672.html but the problem persists. The operating system is Ubuntu 18.04 and WIEN2k version 19.1 compiled with gfortran+openblas is used. Any help or advices will be much appreciated. Thanks in advance. Regards, Wing Chi -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/xcrysden/attachments/20190826/adb0ad20/attachment.htm From matic.poberznik at gmail.com Wed Aug 28 19:28:42 2019 From: matic.poberznik at gmail.com (Matic) Date: Wed, 28 Aug 2019 19:28:42 +0200 Subject: [xcrysden] Error in visualizing WIEN2k struct file In-Reply-To: <002801d55bcb$cc653090$652f91b0$@gmail.com> References: <002801d55bcb$cc653090$652f91b0$@gmail.com> Message-ID: <172e5f8f-bd88-aeeb-9825-8dddd9a8dc8f@gmail.com> Hello Wing Chi, > > I have some troubles in visualizing the WIEN2k case.struct file in > Xcrysden. When opening a wien2k structure file in Xcrysden, I got a > message about getting an error while executing the str2xrc program. I > have tried version 1.5.60 and version 1.5.25 and got the same error. > Could you paste the specific error message here and perhaps attach the structure file that causes problems for you, to see if the issue can be reproduced. Without knowing the specifics it is difficult to say what went wrong, Best Regards,, Matic -- Matic Poberznik J. Stefan Institute, Jamova 39, Ljubljana, Slovenia -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/xcrysden/attachments/20190828/903eb830/attachment.htm From gsabo at crimson.ua.edu Thu Aug 29 06:20:20 2019 From: gsabo at crimson.ua.edu (Gavin Abo) Date: Wed, 28 Aug 2019 22:20:20 -0600 Subject: [xcrysden] Error in visualizing WIEN2k struct file In-Reply-To: <172e5f8f-bd88-aeeb-9825-8dddd9a8dc8f@gmail.com> References: <002801d55bcb$cc653090$652f91b0$@gmail.com> <172e5f8f-bd88-aeeb-9825-8dddd9a8dc8f@gmail.com> Message-ID: <582c7ea2-b276-35f1-2679-67460ec0d688@crimson.ua.edu> The standard user account installed str2xcr file permissions are something like: username at computername:~$ ls -l ~/xcrysden-1.5.60-bin-semishared/bin/str2xcr -rwxr-xr-x 1 username username 252996 Jun 25? 2014 /home/username/xcrysden-1.5.60-bin-semishared/bin/str2xcr One way to reproduce this error should be to remove the str2xcr executable permissions followed by opening the struct file: username at computername:~$ chmod -x ~/xcrysden-1.5.60-bin-semishared/bin/str2xcr username at computername:~$ ls -l ~/xcrysden-1.5.60-bin-semishared/bin/str2xcr -rw-r--r-- 1 username username 252996 Jun 25? 2014 /home/username/xcrysden-1.5.60-bin-semishared/bin/str2xcr username at computername:~$ xcrysden --wien_struct ~/xcrysden-1.5.60-bin-semishared/examples/WIEN_struct_files/gaas.struct One solution could be to restore or set the str2xcr file executable permissions [1] (or group file permissions [2]): username at computername:~$ chmod 755 ~/xcrysden-1.5.60-bin-semishared/bin/str2xcr username at computername:~$ ls -l ~/xcrysden-1.5.60-bin-semishared/bin/str2xcr -rwxr-xr-x 1 username username 252996 Jun 25? 2014 /home/username/xcrysden-1.5.60-bin-semishared/bin/str2xcr We were able to resolve this off the mailing list.? My understanding is that they installed XCrySDen as root and were trying to use XCrySDen in a user account were they didn't have executable permission for str2xcr. It took us a bit to figure this out because I usually install XCrySDen [3] in the user account (and not as root). [1] https://en.wikipedia.org/wiki/Chmod#Numerical_permissions [2] https://en.wikipedia.org/wiki/Chgrp [3] http://www.democritos.it/pipermail/xcrysden/2017-December/001902.html On 8/28/2019 11:28 AM, Matic wrote: > Hello Wing Chi, >> >> I have some troubles in visualizing the WIEN2k case.struct file in >> Xcrysden. When opening a wien2k structure file in Xcrysden, I got a >> message about getting an error while executing the str2xrc program. I >> have tried version 1.5.60 and version 1.5.25 and got the same error. >> > Could you paste the specific error message here and perhaps attach the > structure file that causes problems for you, to see if the issue can > be reproduced. Without knowing the specifics it is difficult to say > what went wrong, > > Best Regards,, > > Matic > > -- > Matic Poberznik > J. Stefan Institute, Jamova 39, Ljubljana, Slovenia -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/xcrysden/attachments/20190828/926a4be2/attachment.htm