From gsabo at crimson.ua.edu  Mon Dec 30 15:49:04 2019
From: gsabo at crimson.ua.edu (Gavin Abo)
Date: Mon, 30 Dec 2019 07:49:04 -0700
Subject: [xcrysden] New XCRYSDEN version: 1.6.2
In-Reply-To: <07ab2fa8fc9bb623e4a4e9f9ad93c434d079931f.camel@ijs.si>
References: <07ab2fa8fc9bb623e4a4e9f9ad93c434d079931f.camel@ijs.si>
Message-ID: <0aa1654c-9801-615f-aaae-442fb0491a65@crimson.ua.edu>

Tone,

Thanks for the new XCrySDen version. It looks like the new 1.6.2 version 
has the WIEN2k k-point improvement [1] and a gfortran 8.2.0 fix [2].? 
Even though, I'm not seeing it mentioned on the News webpage [3].

It looks like the popular Linux precompiled semishared version is not 
available for 1.6.2.? It took me some time to figure out what packages I 
needed for Ubuntu 18.04.3 LTS to install it from the source code 
instead, but the install went smoothly after that.? If it helps other 
Ubuntu users, the packages I had to install to build it are listed below:

In a Ubuntu 18.04.3 LTS terminal, entered the commands:

cd ~
sudo apt update
sudo apt install libquadmath0 gfortran build-essential libglu1-mesa-dev 
libtogl-dev tcl-dev tk-dev libfftw3-dev libxmu-dev
wget http://www.xcrysden.org/download/xcrysden-1.6.2.tar.gz
tar xvf xcrysden-1.6.2.tar.gz
cd xcrysden-1.6.2
cp ./system/Make.sys-shared Make.sys
make all
cd scripts
./xcConfigure.sh
source ~/.bashrc
xcrysden

[1] 
https://www.mail-archive.com/wien at zeus.theochem.tuwien.ac.at/msg15219.html
[2] http://www.democritos.it/pipermail/xcrysden/2018-October/001929.html
[3] http://www.xcrysden.org/News.html

Sincerely,

Gavin

On 10/28/2019 10:21 AM, Tone Kokalj wrote:
> Dear colleagues,
>
> I would like to inform you about new xcrysden version 1.6, which
> includes several new features and bug fixes, documented here:
> http://www.xcrysden.org/News.html
> Perhaps, the most useful new feature is the "reload" button, which
> reloads the structure from the file.
>
> New version is available in source form and as precompiled for Linux,
> MacOS, and Windows. For more details see:
> http://www.xcrysden.org/Download.html
>
> Best regards,
> Tone Kokalj
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