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https://github.com/orest-d/p4vasp

p4vasp, the VASP Visualization Tool
https://github.com/orest-d/p4vasp

density-functional-theory molecular-dynamics physics quantum-mechanics vasp visualization

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p4vasp, the VASP Visualization Tool

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README 

        
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*  p4vasp                                                        *

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Copyright notes:

The p4vasp is distributed under the General Public License version 2 (GPL2).



For more information and support visit www.p4vasp.at.



Binary distributions

==========================



Binary distribution contains a single executable file.

Place this file at a convenient location (e.g. Desktop)

and add it to the system PATH.

P4vasp is a portable application - it can be started from a usb drive.



Source-code distributions

==========================



Compilation Quickstart

--------------------------



For local installation run:



   install-local.sh



For global installation run:



   install.sh



Installation (local)

--------------------------



1) Make sure you have all the dependencies.

   In Ubuntu you can do it with a supplied script:

     install/install-ubuntu-dependencies.sh

2) If there are previous versions of p4vasp, uninstall them.

   You can do it with the uninstall.sh residing in the P4VASP_HOME directory.

3) Unpack the file:                tar -xvzf p4vasp-x.x.x.tgz

4) Change directory:               cd p4vasp-x.x.x

5) Configure:                      make local

6) check and adjust the paths in

   install/Configuration.mk

7) Install:                        make install

8) Add path to p4v in the .bashrc  make bashrc



Installation (global)

--------------------------



1) Make sure you have all the dependencies.

   In Ubuntu you can do it with a supplied script:

     install/install-ubuntu-dependencies.sh

2) Uninstall the old version (as root):

                        This usually (depending on your installation) can be done with an uninstall script:

                        sudo bash /usr/lib/p4vasp/uninstall.sh

3) Unpack the file:     tar -xvzf p4vasp-x.x.x.tgz

4) Change directory:    cd p4vasp-x.x.x

5) Configure:           make config

6) install (as root):   make install

x) If something goes wrong

   - Run the diagnostic.py script, it may provide you with some hints.

   - Check FAQ

   - We can try to help you if you visit forum at www.p4vasp.at, please provide us with the output from diagnostic.py.



Installation (MacOs)

--------------------------

0) You will need X11 and the command-line tools for Xcode installed.

   For Xquratz, visit: 			https://www.xquartz.org/

   For command-line tools: 		$ xcode-select --install



1) For FLTK installation, we use homebrew's fltk:

   Install homebrew: 			$ /usr/bin/ruby -e "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/master/install)"

   Install fltk: 			$ brew install fltk



2) Install other necessary library:	$ brew install python@2 pip gcc gtk+ pygtk —with-libglade && pip install pyopengl numpy



3) Apply patch to the sourcefile:	$ patch -p0 -i MacOS.patch



5) Copy the Makefile.MacOS to Makefile in the p4vasp root directory and in the src

   directory:

   cp Makefile.MacOS Makefile

   cp src/Makefile.MacOS src/Makefile



6) Run make and install:

   make local; make; make install



7) The executable should located at ~/p4vasp/bin



Starting:

--------------------------



Start with: p4v



Look at the documentation in the doc/intro/intro.html

(or /usr/lib/p4vasp/doc/intro.html, when installed),

if you need some clues how to deal with the p4v GUI.



Some people prefer command-line tools and automatic scripts

to a graphical interface. For those, there are some simple

scripts in the utils directory (/usr/lib/p4vasp/utils).

They are also a good example for the p4vasp-API.



P4vasp package embeds the odpdom library, that is available also as a separate

project (http://sourceforge.net/projects/odpdom) and a slightly modified version

of the piddle library (piddle.sourceforge.net).

Both odpdom and piddle are available under the LGPL License (see

odpdom/COPYING).



This package as well may contain other packages (in ext directory) under various open-source licenses:

fltk (www.fltk.org), sqlite (www.sqlite.org) and pysqlite (code.google.com/p/pysqlite).

These packages are provided for convenience only to make the installation easier.