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.