برنامج WIEN2k |ه1- طريقة التثبيت

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WIEN2k: Installation
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A:basic requirements:
sudo apt-get update
sudo apt-get upgrade
sudo apt-get install csh
sudo apt-get install tk
sudo apt-get install gfortran
sudo apt-get install build-essential
sudo apt-get install libblas-dev
sudo apt-get install liblapack-dev
sudo apt install ghostscript
sudo apt install fftw3
sudo apt install tcl-dev
sudo apt-get install libpng-dev
sudo apt-get install emacs
sudo apt-get install libcr-dev
sudo apt-get install tcsh
sudo apt-get install libvips
sudo apt-get install libtiff5
sudo apt-get install gnuplot-x11
sudo apt-get install libxc-dev
sudo apt-get install libomp-dev
sudo apt-get install libmkl-intel-lp64
sudo apt-get install libmkl-intel-thread
sudo apt-get install libmkl-core


B:expanding the executables files
right-click on "wien2k19.tar.gz" and choose "Extract Here"
cd wien2k19
chmod +x ./expand_lapw
./expand_lapw
./siteconfig_lapw
Selection: S (Specify a System)
** Selection: LG (Linux (gfortran + gcc (version 6 or higher) + OpenBlas)
Selection: C (Specify Compiler)
** Selection: gfortran gcc ** press Return
Selection: O (Compiling Options (Compiler/Linker, Libraries))
** Selection: S (save and exit)
Selection: P (Configure Parallel Execution)
** Selection: Y N N
Selection: D (Dimension Parameters)
** Selection: Q (leave defaults)
Selection: R (Compile/Recompile)
** Selection: A (Compile all programs (suggested)) ** press Return
Selection: U (Update a package)
** Selection: ENTER
Selection: L (Perl Path (if not in /usr/bin/perl))
** Selection: ENTER (if path is /usr/bin/perl)
Selection: Q (Quit)
** Selection: Q
./userconfig_lapw
. ~/.bashrc
w2web (copy and paste the link on firefox/chrome)


USERSGUIDE:
============
On w2web window, if you choose "Usersguide" and click on "HTML/PDF Version" it shows ERROR! to solve it do:
cd $WIENROOT
cd SRC_w2web/htdocs/
rm usersguide
ln -s ../../SRC_usersguide_html/ usersguide

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الموقع: Website
khelifak.wordpress.com

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