August 08, 2011

P4VASP compilation on Ubuntu

To compile P4VASP on Ubuntu, you need to install some packages run the following command to install

sudo apt-get install libfltk1.1-dev python2.6-dev g++ libglu1-mesa-dev python-gtk2-dev python-pysqlite2

Optional: if you want to rebuild src/cp4vasp_wrap.cpp:
sudo apt-get install swig
rm src/cp4vasp_wrap.cpp

Edit the Makefile as follows:

line #19: change site to dist
SITE_PACKAGES = $(PYTHON_HOME)/dist-packages

line #143: comment the following line
#chmod -R 755 $(P4VASP_HOME)/doc/api/c

Build and install p4VASP:
make
sudo make install


To prevent a Segmentation Fault when running p4VASP:

mv /usr/bin/p4v /usr/lib/p4vasp/p4v.py

and create a new /usr/bin/p4v as follows:
#!/bin/sh
export LD_PRELOAD=libstdc++.so.6
exec /usr/lib/p4vasp/p4v.py
【说明:此处可以变通为:
chmod 755 /usr/bin/p4v

Install packages necessary to run:
sudo apt-get install python-numeric python-numeric-ext


Run p4VASP:


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