orest-d / p4vasp

p4vasp, the VASP Visualization Tool

p4vasp

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

7. 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)

1. You will need X11 and the command-line tools for Xcode. For Xquratz(X11), visit their website For command-line tools:

   $ xcode-select --install

2. 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

3. Install other necessary library:

   $ brew install python@2 pip gcc gtk+ pygtk —with-libglade && pip install pyopengl numpy

4. 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 and odpdom directory:

   $ cp Makefile.MacOS Makefile
   $ cp odpdom/Makefile.MacOS odpdom/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 and a slightly modified version of the piddle library. 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, sqlite and pysqlite. These packages are provided for convenience only to make the installation easier.

p4vasp's Issues

p4vasp website not working

Is there a new website instead of www.p4vasp.at?

python2 isn't supported by PSF, why don't upgrade p4vasp for python3？

Python2 will be come to an end in 2020, why not migrate this project to python3？？

Error while installing on Mac

I followed the steps mentioned in the README.Macos for installing P4vasp on Macbook Pro (MacOS Mohave, v.10.14..3), but am having some issue.

I get the following error:

g++-7 -fpic -g -DPY_DOMEXC_MODULE=""xml.dom."" -Ipython -c "import sys;import os.path;print os.path.join(sys.prefix,\"include\",\"python\"+sys.version[:3])" -Iinclude -c string.cpp -o string.o
/bin/sh: g++-7: command not found
make[1]: *** [string.o] Error 127
make: *** [p4vasp] Error 2

I am unable to find a way to fix this error.

case sensitive filesystem glitch in MacOs

small glitch:

#include <openGL/glu.h>

should've been

#include <OpenGL/glu.h>

Minor brew pygtk issue

brew reinstall pygtk --with-libglade

is required for the python bindings to work

cp4vasp Import Error: Undefined Symbol

After running the install script, which works fine, the p4v executable produces the following error:

Traceback (most recent call last):
  File "/usr/bin/p4v.py", line 28, in <module>
    from   p4vasp.SystemPM import *
  File "/usr/lib64/python2.7/site-packages/p4vasp/SystemPM.py", line 131, in <module>
    import cp4vasp
  File "/usr/lib64/python2.7/site-packages/cp4vasp.py", line 28, in <module>
    _cp4vasp = swig_import_helper()
  File "/usr/lib64/python2.7/site-packages/cp4vasp.py", line 24, in swig_import_helper
    _mod = imp.load_module('_cp4vasp', fp, pathname, description)
ImportError: /usr/lib64/python2.7/site-packages/_cp4vasp.so: undefined symbol: _ZN12Fl_Gl_Window6resizeEiiii

I have attempted both local and global install (though didn't expect to see any difference).

The diagnostic script produces:

p4vasp Diagnostics

Python version: 2.7.15 (default, May 15 2018, 15:37:31) 
                [GCC 7.3.1 20180303 (Red Hat 7.3.1-5)]
Platform:       linux2
Issue:          \S
                Kernel \r on an \m (\l)
Hostname:       cme-mccl437-01.cme.uidaho.edu
LINUX:          Linux 4.16.14-200.fc27.x86_64

Executable:     /usr/bin/python2

Module paths:   /home/icurtis/Downloads/BUILD/p4vasp
                /usr/lib/python27.zip
                /usr/lib64/python2.7
                /usr/lib64/python2.7/plat-linux2
                /usr/lib64/python2.7/lib-tk
                /usr/lib64/python2.7/lib-old
                /usr/lib64/python2.7/lib-dynload
                /usr/lib64/python2.7/site-packages
                /usr/lib64/python2.7/site-packages/gtk-2.0
                /usr/lib/python2.7/site-packages

Enviromental variables:
P4VASP_HOME     not set
PYTHONPATH      not set
PYTHONHOME      not set

Python.h was not found in /usr/include/python/Python.h
FLTK:
  fltk-config:  /usr/bin/fltk-config
  version:      1.3.4
  api-version:  1.3
  libs:         /usr/lib64/libfltk_gl.a
                /usr/lib64/libfltk.a
  c++ flags:    

p4vasp configuration info:
p4vasp_home   = /usr/lib/p4vasp
name          = p4vasp
version       = develop-brance
release       = Null
build_date    = April 28 2018
Can not import _cp4vasp. Have you compiled and installed it ?
(make; make install)


You probably will not be able to compile, since Python.h is missing.
It is expected to be in %s.
Most likely you do not have the python development headders installed.
They are usually located in a package called python-devel (or something like that).
If you have the headders at a non-standart path, you will need to modify
your Makefiles (mainly thesrc/Makefile).


Can not import cp4vasp, however the _cp4vasp can be imported.
I have no clue what is the problem...
Maybe the stack trace will help:

Traceback (most recent call last):
  File "diagnostic.py", line 193, in <module>
    import cp4vasp
  File "/usr/lib64/python2.7/site-packages/cp4vasp.py", line 28, in <module>
    _cp4vasp = swig_import_helper()
  File "/usr/lib64/python2.7/site-packages/cp4vasp.py", line 24, in swig_import_helper
    _mod = imp.load_module('_cp4vasp', fp, pathname, description)
ImportError: /usr/lib64/python2.7/site-packages/_cp4vasp.so: undefined symbol: _ZN12Fl_Gl_Window6resizeEiiii

Python.h is found at /usr/include/python2.7/. The system finds it just fine when compiling, so I don't think a symlink will help.

How to install on Windows 10 or WSL ubuntu 18.04?

It says here (http://www.p4vasp.at/#/) that it supports Linux, Windows, macOS/OSX. But there is no tutorial for installing it on WIN10, or how on WSL ubuntu 18.04, I don't have UBUNTU on my PC.

Errors when installing on Max

When I was trying to install p4vasp on Mac, it shows the following error message.

ld: library not found for -lintl
collect2: error: ld returned 1 exit status
make[1]: *** [_cp4vasp.so] Error 1
make: *** [p4vasp] Error 2

Why is the website(www.p4vasp.at.) not working??

As I remember, the website www.p4vasp.at. was working on at the past.
but now It is not working.
Could you tell me the reason why it is not working anymore?

python cannot be found after installing p4vasp

Hi, I installed p4vasp following the README as local user. However, when I set the environmental avails, many command cannot be used, including python, ls, rm, vi. What could I do ?

LH5 and py4vasp

Dear,

I set LH5=.TRUE. in INCAR. But I cannot get the vaspwave.h5 output file. I am using vasp 6.3.0.

The packet can't be installed using provided scripts

$ make local
cd install && python configure.py local
$ make install
echo "p4vasp_home='/home/user/p4vasp'" >lib/p4vasp/config.py
cat vinfo.py >> lib/p4vasp/config.py
cat: vinfo.py: No such file or directory
make: *** [p4vasp_config] Error 1

Python 3 compatibility

The program (already during build process) seems to be only Python 2 compatible. I had to replace python -c ... with python2 -c ... in src/Configuration.mk and odpdom/Makefile for successful compilation.

Either point specifically at python 2 everywhere, or (which is much better) make the code python 3 compatible.

Urgent need of P4VASP compatible with PYTHON 3

Dear P4VASP team,

For VASP users, this program is an unavoidable program that visualizes the output so clearly and instantly. PYTHON2 only supports this program. In many HPCC centers, Admins do not use PYTHON 2 anymore. Are you planning to bring this program with the full support of PYTHON3? This is an urgent need for many VASP users. I am looking forward to getting this program alive._

Thanks
P4VASP FAN

Problem with installation in Mac

Please see the diagnostics
python diagnostic.py
p4vasp Diagnostics

Python version: 2.7.15 (default, May 1 2018, 16:44:08)
[GCC 4.2.1 Compatible Apple LLVM 9.1.0 (clang-902.0.39.1)]
Platform: darwin
Issue: ???
Hostname: ???
LINUX: ??? ???

Executable: /usr/local/opt/python@2/bin/python2.7

Module paths: /Users/ankurpc/Downloads/p4vasp-master
/usr/local/Cellar/python@2/2.7.15/Frameworks/Python.framework/Versions/2.7/lib/python27.zip
/usr/local/Cellar/python@2/2.7.15/Frameworks/Python.framework/Versions/2.7/lib/python2.7
/usr/local/Cellar/python@2/2.7.15/Frameworks/Python.framework/Versions/2.7/lib/python2.7/plat-darwin
/usr/local/Cellar/python@2/2.7.15/Frameworks/Python.framework/Versions/2.7/lib/python2.7/plat-mac
/usr/local/Cellar/python@2/2.7.15/Frameworks/Python.framework/Versions/2.7/lib/python2.7/plat-mac/lib-scriptpackages
/usr/local/Cellar/python@2/2.7.15/Frameworks/Python.framework/Versions/2.7/lib/python2.7/lib-tk
/usr/local/Cellar/python@2/2.7.15/Frameworks/Python.framework/Versions/2.7/lib/python2.7/lib-old
/usr/local/Cellar/python@2/2.7.15/Frameworks/Python.framework/Versions/2.7/lib/python2.7/lib-dynload
/usr/local/lib/python2.7/site-packages
/usr/local/lib/python2.7/site-packages/gtk-2.0
/usr/local/lib/python2.7/site-packages/gtk-2.0

Enviromental variables:
P4VASP_HOME not set
PYTHONPATH not set
PYTHONHOME not set

Python.h was not found in /usr/include/python/Python.h
FLTK:
fltk-config: /usr/local/bin/fltk-config
version: 1.3.4
api-version: 1.3
libs: /usr/local/Cellar/fltk/1.3.4-2/lib/libfltk_gl.a
/usr/local/Cellar/fltk/1.3.4-2/lib/libfltk.a
c++ flags: -I/usr/local/Cellar/fltk/1.3.4-2/include
-D_LARGEFILE_SOURCE
-D_LARGEFILE64_SOURCE
-D_THREAD_SAFE
-D_REENTRANT

Can not import the p4vasp module.
The p4vasp seems not to be installed.

Can not import _cp4vasp. Have you compiled and installed it ?
(make; make install)

You probably will not be able to compile, since Python.h is missing.
It is expected to be in %s.
Most likely you do not have the python development headders installed.
They are usually located in a package called python-devel (or something like that).
If you have the headders at a non-standart path, you will need to modify
your Makefiles (mainly thesrc/Makefile).

Can not import cp4vasp, however the _cp4vasp can be imported.
I have no clue what is the problem...
Maybe the stack trace will help:

Traceback (most recent call last):
File "diagnostic.py", line 193, in
import cp4vasp
ImportError: No module named cp4vasp

Error when running p4vasp on Unix system

Hello,
I installed p4vasp on a unix system and it seemed to be fine. But when I started p4vasp by typing p4v, several errors showed. Could you please let me know what should I do in this case?
Best wishes and regards!

Traceback (most recent call last):
File "/home/m0020/m002004/p4vasp/bin/p4v.py", line 28, in
from p4vasp.SystemPM import *
File "/home/m0020/m002004/p4vasp/python-packages/p4vasp/SystemPM.py", line 130, in
import cp4vasp
File "/home/m0020/m002004/p4vasp/python-packages/cp4vasp.py", line 28, in
_cp4vasp = swig_import_helper()
File "/home/m0020/m002004/p4vasp/python-packages/cp4vasp.py", line 24, in swig_import_helper
_mod = imp.load_module('_cp4vasp', fp, pathname, description)
ImportError: libexpat.so.0: cannot open shared object file: No such file or directory

[Guide] Installation on MacOS Monterey or Ventura, and Macs with Apple Silicon

Hi all,

Here is a guide to get p4vasp to Run on MacOS Monterey or Ventura, and I have tested and could confirm it works on my MacBook Pro with M1 Pro chip.

1. Install dependencies and apply vasp544 patch following guide from @Chengcheng-Xiao here.

2. Install FLTK with homebrew with brew install fltk. Use brew info fltk to query the path to FLTK installation path, in my case it's /opt/homebrew/Cellar/fltk/1.3.8_1.

3. Copy everything from FLTK installation path to ext directory under p4vasp with cp -r /opt/homebrew/Cellar/fltk/1.3.8_1/* P4VASP/ext where P4VASP is the path to downloaded p4vasp package.

4. Replace #include <GL/glu.h> with #include <OpenGL/glu.h> for ALL source code including those under src/include/p4vasp (there should be a total of 12 replacement to make). In my case I just use VS Code to do a global search under src and replace all.
   

5. Your compilation should be able to finish without issue here. However you might also need to install XQuartz for X11 support, otherwise you might get GtkWarning: could not open display error. Please also restart your Mac after installing XQuartz.

pygtk —with-libglade on Mac does not work

Hi,
i followed the README.MacOS and got all the way to
brew install pygtk --with-libglade
which only gives the error
Error: invalid option: --with-libglade

I can compile without libglade but p4v won't run.
what is the correct way to link libglade to pygtk now?

thank you for your help

STM simulation data extraction

Dear All,

I am doing STM simulations using p4vasp and I was wondering if there is a way to extract numerical values, specifically STM height, from the software. Any help would be hugely appreciated.

errors when running

hi all,

I got the following problems:

weiweisunsMBP2:bin weiwei$ ./p4v

(process:61698): Gtk-WARNING **: 18:09:01.623: Locale not supported by C library.
Using the fallback 'C' locale.
2019-04-07 18:09:01.699 Python[61698:10149511] *** WARNING: Method userSpaceScaleFactor in class NSView is deprecated on 10.7 and later. It should not be used in new applications. Use convertRectToBacking: instead.
/Users/weiwei/p4vasp/python-packages/p4vasp/applet/Applet.py:369: GtkWarning: Cannot open pixbuf loader module file '/usr/local/lib/gdk-pixbuf-2.0/2.10.0/loaders.cache': No such file or directory

This likely means that your installation is broken.
Try running the command
gdk-pixbuf-query-loaders > /usr/local/lib/gdk-pixbuf-2.0/2.10.0/loaders.cache
to make things work again for the time being.
Applet.pin_image.set_from_file(path)
/Users/weiwei/p4vasp/python-packages/p4vasp/applet/Applet.py:372: GtkWarning: Cannot open pixbuf loader module file '/usr/local/lib/gdk-pixbuf-2.0/2.10.0/loaders.cache': No such file or directory

This likely means that your installation is broken.
Try running the command
gdk-pixbuf-query-loaders > /usr/local/lib/gdk-pixbuf-2.0/2.10.0/loaders.cache
to make things work again for the time being.
Applet.unpin_image.set_from_file(path)
/Users/weiwei/p4vasp/python-packages/p4vasp/applet/Applet.py:376: GtkWarning: Cannot open pixbuf loader module file '/usr/local/lib/gdk-pixbuf-2.0/2.10.0/loaders.cache': No such file or directory

This likely means that your installation is broken.
Try running the command
gdk-pixbuf-query-loaders > /usr/local/lib/gdk-pixbuf-2.0/2.10.0/loaders.cache
to make things work again for the time being.
Applet.embedded_image.set_from_file(path)
/Users/weiwei/p4vasp/python-packages/p4vasp/applet/Applet.py:379: GtkWarning: Cannot open pixbuf loader module file '/usr/local/lib/gdk-pixbuf-2.0/2.10.0/loaders.cache': No such file or directory

This likely means that your installation is broken.
Try running the command
gdk-pixbuf-query-loaders > /usr/local/lib/gdk-pixbuf-2.0/2.10.0/loaders.cache
to make things work again for the time being.
Applet.external_image.set_from_file(path)
Traceback (most recent call last):
File "/Users/weiwei/p4vasp/bin/p4v.py", line 225, in createFrame
xml=p4vasp.util.loadGlade(self.gladefile,self.gladename)
File "/Users/weiwei/p4vasp/python-packages/p4vasp/util.py", line 494, in loadGlade
import gtk.glade
ImportError: No module named glade
ERROR : Unable to create Glade object from frame.glade, frame_box
Searching for applets
Creating menu items
Add menu Edit::New
Traceback (most recent call last):
File "/Users/weiwei/p4vasp/bin/p4v.py", line 640, in idle_func
scheduler().next()
File "/Users/weiwei/p4vasp/python-packages/p4vasp/schedule.py", line 51, in next
return self[0].next()
File "/Users/weiwei/p4vasp/bin/p4v.py", line 712, in init
item=frame.getMenuItem(m)
File "/Users/weiwei/p4vasp/bin/p4v.py", line 317, in getMenuItem
ch=m.get_children()
AttributeError: 'NoneType' object has no attribute 'get_children'
^CTraceback (most recent call last):
File "/Users/weiwei/p4vasp/bin/p4v.py", line 763, in
gtk.main()
KeyboardInterrupt

What do you think?
Thanks a lot!
Weiwei

Installation issue with Ubuntu 20.04LTS

Hi,
I am trying to install p4vasp in my computer but I cannot install it. I have python3 installed and i am using ubuntu 20.04Lts. Can anyone tell me the error that I am making?
Thank you.
Indrajit

Problem in ubuntu 21.04

hello, i have problem in ubuntu 21.04,
i tried to follow this guide (https://www.youtube.com/watch?v=UpAkS_3HsXY).
and when i put the command p4v, the terminal let me explain to install Pygtk.

follow the picture here: [](url

)

p4vasp in ubuntu 20.04

Hi,
I am not able to install p4vasp in Ubuntu 20.04. Could you please help me how to solve it?

Error while starting p4v

I am facing following Error while starting p4v.

  File "/usr/share/p4vasp/p4v.py", line 9
    can get source code from http://www.pygtk.org """
                                                    ^
SyntaxError: invalid syntax

Any solution will be appreciated.

ld: symbol(s) not found for architecture x86_64 clang: error: linker command failed with exit code 1

我的系统时 mac high sierra，我完全按照说明来的，但是发现编译错误。

这是错误提示：

36 warnings generated.
g++ -shared -L. -o cp4vasp.so cp4vasp_wrap.o -lp4vasp -L../odpdom -lODP python2 fltk-config.py --use-gl --ldstaticflags -lpthread -L/opt/local/lib python2-config --ldflags
sh: ../ext/bin/fltk-config: No such file or directory
Undefined symbols for architecture x86_64:
"Fl_Gl_Window::draw_overlay()", referenced from:
vtable for VisFLWindow in libp4vasp.a(VisFLWindow.o)
"Fl_Gl_Window::hide()", referenced from:
vtable for VisFLWindow in libp4vasp.a(VisFLWindow.o)
"Fl_Gl_Window::init()", referenced from:
Fl_Gl_Window::Fl_Gl_Window(int, int, int, int, char const*) in libp4vasp.a(VisFLWindow.o)
"Fl_Gl_Window::mode(int, int const*)", referenced from:
Fl_Gl_Window::mode(int) in libp4vasp.a(VisFLWindow.o)
"Fl_Gl_Window::show()", referenced from:
vtable for VisFLWindow in libp4vasp.a(VisFLWindow.o)
"Fl_Gl_Window::flush()", referenced from:
vtable for VisFLWindow in libp4vasp.a(VisFLWindow.o)
"Fl_Gl_Window::handle(int)", referenced from:
VisFLWindow::handle(int) in libp4vasp.a(VisFLWindow.o)
"Fl_Gl_Window::resize(int, int, int, int)", referenced from:
vtable for VisFLWindow in libp4vasp.a(VisFLWindow.o)
"Fl_Gl_Window::~Fl_Gl_Window()", referenced from:
VisFLWindow::~VisFLWindow() in libp4vasp.a(VisFLWindow.o)
VisFLWindow::VisFLWindow(int, int, int, int, char const*) in libp4vasp.a(VisFLWindow.o)
"Fl::e_x", referenced from:
Fl::event_x() in libp4vasp.a(VisFLWindow.o)
"Fl::e_y", referenced from:
Fl::event_y() in libp4vasp.a(VisFLWindow.o)
"Fl::idle", referenced from:
Fl::set_idle(void (*)()) in libp4vasp.a(VisMain.o)
"Fl::wait()", referenced from:
VisMainLoop() in libp4vasp.a(VisMain.o)
"Fl::check()", referenced from:
VisCheck() in libp4vasp.a(VisMain.o)
"Fl::visual(int)", referenced from:
VisInit() in libp4vasp.a(VisMain.o)
"Fl::e_state", referenced from:
Fl::event_state() in libp4vasp.a(VisNavDrawer.o)
Fl::event_button1() in libp4vasp.a(VisFLWindow.o)
Fl::event_button2() in libp4vasp.a(VisFLWindow.o)
Fl::event_button3() in libp4vasp.a(VisFLWindow.o)
"Fl::e_keysym", referenced from:
Fl::event_button() in libp4vasp.a(VisFLWindow.o)
Fl::event_key() in libp4vasp.a(VisFLWindow.o)
"Fl_Group::end()", referenced from:
VisHandleWindowEvents() in libp4vasp.a(VisMain.o)
"Fl_Widget::redraw()", referenced from:
VisHandleWindowEvents() in libp4vasp.a(VisMain.o)
"Fl_Window::size_range()", referenced from:
Fl_Window::size_range(int, int, int, int, int, int, int) in libp4vasp.a(VisFLWindow.o)
"Fl_Window::label(char const*)", referenced from:
VisHandleWindowEvents() in libp4vasp.a(VisMain.o)
"Fl_Window::Fl_Window(int, int, int, int, char const*)", referenced from:
Fl_Gl_Window::Fl_Gl_Window(int, int, int, int, char const*) in libp4vasp.a(VisFLWindow.o)
"Fl_Window::~Fl_Window()", referenced from:
Fl_Gl_Window::Fl_Gl_Window(int, int, int, int, char const*) in libp4vasp.a(VisFLWindow.o)
"typeinfo for Fl_Gl_Window", referenced from:
typeinfo for VisFLWindow in libp4vasp.a(VisFLWindow.o)
"vtable for Fl_Gl_Window", referenced from:
Fl_Gl_Window::Fl_Gl_Window(int, int, int, int, char const*) in libp4vasp.a(VisFLWindow.o)
NOTE: a missing vtable usually means the first non-inline virtual member function has no definition.
"_glBegin", referenced from:
VisPrimitiveDrawer::line(double, double, double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisSlideDrawer::draw() in libp4vasp.a(VisSlideDrawer.o)
VisStructureDrawer::drawCell() in libp4vasp.a(VisStructureDrawer.o)
VisStructureDrawer::selectObject(double, double, double, double, double) in libp4vasp.a(VisStructureDrawer.o)
VisIsosurfaceDrawer::draw() in libp4vasp.a(VisIsosurfaceDrawer.o)
"_glCallList", referenced from:
VisPrimitiveDrawer::sphere(double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisPrimitiveDrawer::cone(double, double, double, double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisPrimitiveDrawer::cylinder(double, double, double, double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisIsosurfaceDrawer::draw() in libp4vasp.a(VisIsosurfaceDrawer.o)
"_glClear", referenced from:
VisPrimitiveDrawer::draw() in libp4vasp.a(VisPrimitiveDrawer.o)
VisNavDrawer::draw() in libp4vasp.a(VisNavDrawer.o)
VisWindow::draw() in libp4vasp.a(VisWindow.o)
VisFLWindow::draw() in libp4vasp.a(VisFLWindow.o)
"_glClearColor", referenced from:
VisPrimitiveDrawer::draw() in libp4vasp.a(VisPrimitiveDrawer.o)
VisNavDrawer::init() in libp4vasp.a(VisNavDrawer.o)
VisNavDrawer::draw() in libp4vasp.a(VisNavDrawer.o)
VisWindow::draw() in libp4vasp.a(VisWindow.o)
VisFLWindow::draw() in libp4vasp.a(VisFLWindow.o)
"_glColor3d", referenced from:
VisPrimitiveDrawer::draw() in libp4vasp.a(VisPrimitiveDrawer.o)
VisPrimitiveDrawer::color(double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisStructureArrowsDrawer::draw() in libp4vasp.a(VisStructureArrowsDrawer.o)
"_glColor3f", referenced from:
VisNavDrawer::draw() in libp4vasp.a(VisNavDrawer.o)
VisStructureDrawer::draw() in libp4vasp.a(VisStructureDrawer.o)
VisStructureDrawer::drawCell() in libp4vasp.a(VisStructureDrawer.o)
VisStructureDrawer::drawSpheres() in libp4vasp.a(VisStructureDrawer.o)
VisStructureDrawer::drawBonds() in libp4vasp.a(VisStructureDrawer.o)
VisIsosurfaceDrawer::draw() in libp4vasp.a(VisIsosurfaceDrawer.o)
"_glColor3fv", referenced from:
ColorGradient::glcolor(double) in libp4vasp.a(VisSlideDrawer.o)
"_glColorMaterial", referenced from:
VisNavDrawer::init() in libp4vasp.a(VisNavDrawer.o)
"_glDeleteLists", referenced from:
VisPrimitiveDrawer::~VisPrimitiveDrawer() in libp4vasp.a(VisPrimitiveDrawer.o)
VisIsosurfaceDrawer::~VisIsosurfaceDrawer() in libp4vasp.a(VisIsosurfaceDrawer.o)
"_glDisable", referenced from:
VisSlideDrawer::draw() in libp4vasp.a(VisSlideDrawer.o)
VisStructureDrawer::drawCell() in libp4vasp.a(VisStructureDrawer.o)
"_glEnable", referenced from:
VisNavDrawer::init() in libp4vasp.a(VisNavDrawer.o)
VisNavDrawer::_antialiasing() in libp4vasp.a(VisNavDrawer.o)
VisSlideDrawer::draw() in libp4vasp.a(VisSlideDrawer.o)
VisStructureDrawer::drawCell() in libp4vasp.a(VisStructureDrawer.o)
VisIsosurfaceDrawer::draw() in libp4vasp.a(VisIsosurfaceDrawer.o)
"_glEnd", referenced from:
VisPrimitiveDrawer::line(double, double, double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisSlideDrawer::draw() in libp4vasp.a(VisSlideDrawer.o)
VisStructureDrawer::drawCell() in libp4vasp.a(VisStructureDrawer.o)
VisStructureDrawer::selectObject(double, double, double, double, double) in libp4vasp.a(VisStructureDrawer.o)
VisIsosurfaceDrawer::draw() in libp4vasp.a(VisIsosurfaceDrawer.o)
"_glEndList", referenced from:
VisPrimitiveDrawer::initPrimitives() in libp4vasp.a(VisPrimitiveDrawer.o)
VisIsosurfaceDrawer::updateList() in libp4vasp.a(VisIsosurfaceDrawer.o)
"_glFinish", referenced from:
VisWindow::draw() in libp4vasp.a(VisWindow.o)
"_glFrustum", referenced from:
VisNavDrawer::draw() in libp4vasp.a(VisNavDrawer.o)
"_glGenLists", referenced from:
VisPrimitiveDrawer::initPrimitives() in libp4vasp.a(VisPrimitiveDrawer.o)
VisIsosurfaceDrawer::init() in libp4vasp.a(VisIsosurfaceDrawer.o)
"_glGetDoublev", referenced from:
VisStructureDrawer::switchSelectionByPick(int, int) in libp4vasp.a(VisStructureDrawer.o)
"_glGetIntegerv", referenced from:
VisStructureDrawer::switchSelectionByPick(int, int) in libp4vasp.a(VisStructureDrawer.o)
VisWindow::saveScreenshot(char*) in libp4vasp.a(VisWindow.o)
"_glHint", referenced from:
VisNavDrawer::_antialiasing() in libp4vasp.a(VisNavDrawer.o)
"_glIsEnabled", referenced from:
VisSlideDrawer::draw() in libp4vasp.a(VisSlideDrawer.o)
VisStructureDrawer::drawCell() in libp4vasp.a(VisStructureDrawer.o)
"_glIsList", referenced from:
VisPrimitiveDrawer::~VisPrimitiveDrawer() in libp4vasp.a(VisPrimitiveDrawer.o)
VisIsosurfaceDrawer::~VisIsosurfaceDrawer() in libp4vasp.a(VisIsosurfaceDrawer.o)
"_glLightfv", referenced from:
VisNavDrawer::draw() in libp4vasp.a(VisNavDrawer.o)
"_glLineWidth", referenced from:
VisStructureDrawer::drawCell() in libp4vasp.a(VisStructureDrawer.o)
"_glLoadIdentity", referenced from:
VisNavDrawer::draw() in libp4vasp.a(VisNavDrawer.o)
"_glLoadMatrixd", referenced from:
VisNavDrawer::draw() in libp4vasp.a(VisNavDrawer.o)
"_glMaterialfv", referenced from:
VisNavDrawer::init() in libp4vasp.a(VisNavDrawer.o)
"_glMatrixMode", referenced from:
VisNavDrawer::draw() in libp4vasp.a(VisNavDrawer.o)
"_glMultMatrixd", referenced from:
VisSlideDrawer::draw() in libp4vasp.a(VisSlideDrawer.o)
"_glNewList", referenced from:
VisPrimitiveDrawer::initPrimitives() in libp4vasp.a(VisPrimitiveDrawer.o)
VisIsosurfaceDrawer::updateList() in libp4vasp.a(VisIsosurfaceDrawer.o)
"_glNormal3d", referenced from:
VisSlideDrawer::vertex(int, int, double*) in libp4vasp.a(VisSlideDrawer.o)
VisIsosurfaceDrawer::handle_type1(double*, double*, double*, double*, double*, double*, double*, double*, double, double, double, double) in libp4vasp.a(VisIsosurfaceDrawer.o)
VisIsosurfaceDrawer::handle_type2(double*, double*, double*, double*, double*, double*, double*, double*, double, double, double, double) in libp4vasp.a(VisIsosurfaceDrawer.o)
"_glOrtho", referenced from:
VisNavDrawer::draw() in libp4vasp.a(VisNavDrawer.o)
"_glPointSize", referenced from:
VisIsosurfaceDrawer::draw() in libp4vasp.a(VisIsosurfaceDrawer.o)
"_glPolygonMode", referenced from:
VisNavDrawer::init() in libp4vasp.a(VisNavDrawer.o)
VisIsosurfaceDrawer::draw() in libp4vasp.a(VisIsosurfaceDrawer.o)
"_glPopMatrix", referenced from:
VisPrimitiveDrawer::sphere(double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisPrimitiveDrawer::cone(double, double, double, double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisPrimitiveDrawer::cylinder(double, double, double, double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisSlideDrawer::draw() in libp4vasp.a(VisSlideDrawer.o)
VisStructureDrawer::draw() in libp4vasp.a(VisStructureDrawer.o)
VisStructureDrawer::selectObject(double, double, double, double, double) in libp4vasp.a(VisStructureDrawer.o)
VisIsosurfaceDrawer::draw() in libp4vasp.a(VisIsosurfaceDrawer.o)
...
"_glPushMatrix", referenced from:
VisPrimitiveDrawer::sphere(double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisPrimitiveDrawer::cone(double, double, double, double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisPrimitiveDrawer::cylinder(double, double, double, double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisSlideDrawer::draw() in libp4vasp.a(VisSlideDrawer.o)
VisStructureDrawer::draw() in libp4vasp.a(VisStructureDrawer.o)
VisStructureDrawer::selectObject(double, double, double, double, double) in libp4vasp.a(VisStructureDrawer.o)
VisIsosurfaceDrawer::draw() in libp4vasp.a(VisIsosurfaceDrawer.o)
...
"_glReadPixels", referenced from:
VisWindow::saveScreenshot(char*) in libp4vasp.a(VisWindow.o)
"_glRotated", referenced from:
VisStructureDrawer::selectObject(double, double, double, double, double) in libp4vasp.a(VisStructureDrawer.o)
"_glRotatef", referenced from:
VisPrimitiveDrawer::cone(double, double, double, double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisPrimitiveDrawer::cylinder(double, double, double, double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
"_glScalef", referenced from:
VisPrimitiveDrawer::sphere(double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisPrimitiveDrawer::cone(double, double, double, double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisPrimitiveDrawer::cylinder(double, double, double, double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisNavDrawer::draw() in libp4vasp.a(VisNavDrawer.o)
VisStructureDrawer::selectObject(double, double, double, double, double) in libp4vasp.a(VisStructureDrawer.o)
"_glShadeModel", referenced from:
VisPrimitiveDrawer::draw() in libp4vasp.a(VisPrimitiveDrawer.o)
VisNavDrawer::init() in libp4vasp.a(VisNavDrawer.o)
VisIsosurfaceDrawer::draw() in libp4vasp.a(VisIsosurfaceDrawer.o)
VisWindow::draw() in libp4vasp.a(VisWindow.o)
VisFLWindow::draw() in libp4vasp.a(VisFLWindow.o)
"_glTranslatef", referenced from:
VisPrimitiveDrawer::sphere(double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisPrimitiveDrawer::cone(double, double, double, double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisPrimitiveDrawer::cylinder(double, double, double, double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisNavDrawer::draw() in libp4vasp.a(VisNavDrawer.o)
VisStructureDrawer::draw() in libp4vasp.a(VisStructureDrawer.o)
VisStructureDrawer::selectObject(double, double, double, double, double) in libp4vasp.a(VisStructureDrawer.o)
VisIsosurfaceDrawer::draw() in libp4vasp.a(VisIsosurfaceDrawer.o)
...
"_glVertex3d", referenced from:
VisPrimitiveDrawer::line(double, double, double, double, double, double) in libp4vasp.a(VisPrimitiveDrawer.o)
VisSlideDrawer::vertex(int, int, double*) in libp4vasp.a(VisSlideDrawer.o)
VisStructureDrawer::drawCell() in libp4vasp.a(VisStructureDrawer.o)
VisStructureDrawer::selectObject(double, double, double, double, double) in libp4vasp.a(VisStructureDrawer.o)
VisIsosurfaceDrawer::handle_type1(double*, double*, double*, double*, double*, double*, double*, double*, double, double, double, double) in libp4vasp.a(VisIsosurfaceDrawer.o)
VisIsosurfaceDrawer::handle_type2(double*, double*, double*, double*, double*, double*, double*, double*, double, double, double, double) in libp4vasp.a(VisIsosurfaceDrawer.o)
"_glViewport", referenced from:
VisNavDrawer::init() in libp4vasp.a(VisNavDrawer.o)
VisNavDrawer::draw() in libp4vasp.a(VisNavDrawer.o)
VisFLWindow::draw() in libp4vasp.a(VisFLWindow.o)
"_gluCylinder", referenced from:
VisPrimitiveDrawer::initPrimitives() in libp4vasp.a(VisPrimitiveDrawer.o)
"_gluDeleteQuadric", referenced from:
VisPrimitiveDrawer::~VisPrimitiveDrawer() in libp4vasp.a(VisPrimitiveDrawer.o)
"_gluNewQuadric", referenced from:
VisPrimitiveDrawer::initPrimitives() in libp4vasp.a(VisPrimitiveDrawer.o)
VisPrimitiveDrawer::init() in libp4vasp.a(VisPrimitiveDrawer.o)
VisStructureDrawer::init() in libp4vasp.a(VisStructureDrawer.o)
"_gluSphere", referenced from:
VisPrimitiveDrawer::initPrimitives() in libp4vasp.a(VisPrimitiveDrawer.o)
"_gluUnProject", referenced from:
VisStructureDrawer::switchSelectionByPick(int, int) in libp4vasp.a(VisStructureDrawer.o)
ld: symbol(s) not found for architecture x86_64
clang: error: linker command failed with exit code 1 (use -v to see invocation)
make[1]: *** [_cp4vasp.so] Error 1
make: *** [p4vasp] Error 2

Cannot Export DOS

Hi,

I have been trying to export a DOS that I generated, but hitting the "Export" button does not seem to do anything.

Thank you!

READ if you are using NEWER LINUX OS (Ubuntu 20.04, DEBIAN 11, 20.3) Compiling problems

p4vasp was taken out of the repositories in newer linux OS. Also, some dependencies were taken out. You need to manually download and install them. This are
python-gtk2_2.24.0-5.1+b1_amd64.deb
python-glade2_2.24.0-5.1+b1_amd64.deb
epydoc-3.0.1

Also, for some weird reason, there's one folder missing. This is fltk-1.3.0. This folder should be inside the ext folder (inside the p4vasp master)
If you add this folder and install those packages manually, you can get the compilation going following the instalation guide in https://github.com/orest-d/p4vasp.

I added a script to the main folder. You can download this from https://github.com/RomanPico/p4vasp-Linux-working/tree/RomanPico-patch-1-1 (fullinstalation.sh) or you can just download it from here

Remember to use this script in the p4vasp-master folder

fullinstalation.sh.zip

mac make: cp4vasp_wrap.cpp:154:11 fatal error:' Python.h' file not found

cp4vasp_wrap.cpp:154:11 fatal error:' Python.h' file not found

Change of labels in vasp 5.4.4

Hi, it seems that some labels to plot dos and bands have changed in vasp 5.4.4 (file sphpro.F). For example, "dx2" is now called "x2-y2". Therefore when plotting lm-decomposed dos, dx2 is not showing up. The fix shouldn't be difficult, but it requires to take into account the vasp version which was used to generate the vasprun.xml file.

Thanks.

Problem with cyrillic letters in the path to "vasprun.xml"

I've got an error "ERROR: Error reading property E_FERMI" when tried to use p4v. But "efermi" was written correctly in my "vasprun.xml".

This error message does not related to tag "efermi" or anyone else. The real problem is in the path to "vasprun.xml".

I found the line in the log "IOError: [Errno 2] No such file or directory: ..."
I tried to open "vasprun.xml" that has cyrillic letters in its path.

The only way to solve this error is to place "vasprun.xml" to the path WITHOUT spaces and any non-latin letters.

My OS is Win 8.1 and I use vasp 5.3.5