[Wavepacket-user] Python Wavepacket 0.1

[Ulf L. <ul...@wp...>]

Hello everyone,

I have spent the last few months hacking together a first showcase
release for a Python-only Wavepacket, and can now announce its
completion.

To install:

* install Python 3.13.
* (optionally) set up a virtual environment
  python -m venv ${path_to_venv}
* Install Wavepacket as a common Python module
  ${path_to_venv}/(bin|Scripts)/pip install wavepacket

Documentation can be found under https://wavepacket.readthedocs.io.


The background for this whole exercise is that I want to translate the
whole C++/Python version to Python-only code. I have become
increasingly frustrated with the hoops that you have to jump through to
get a distributable Python package, which is what most users probably
want. In particular, compiling anything under Windows is annoying; if
you add BLAS/LAPACK and C++, it becomes frustrating. A Python-only
version allows me to outsource all these complications into the numpy
package. The mixture of C++ for the numerics and Python for plotting
was also cumbersome to maintain.

Also, the tooling support for Python is just much, much better. As one
example, I can write Jupyter notebooks in markdown, have them
compiled and run and get the notebook plus its output rendered as HTML.


Regards,
Ulf