Install

The latest release of VASPRUN can be found on GitHub.

User (w/o sudo or root privilege):

pip3 install --upgrade --user vasprun

Developer:

Clone the repository and go to the newly created directory of the repository.

git clone https://github.com/smarkov/vasprun.git
cd vasprun

Issue the following command from the root directory of the repository.

pip3 install --upgrade --user -e .

Note

Please omit the --user above if installing within a virtual environment.

If installing with --user, ensure that ~/.local/bin is in your $PATH environment variable in order to use vasprun, e.g. for bash:

export PATH=$PATH:$HOME/.local/bin

Dependencies

  • numpy
  • matplotlib
  • lxml
  • json_tricks
  • ase

Testing:

Go to the test directory and run:

python3 -m unittest

Uninstall:

pip3 uninstall skpar