spinwaves - SpinW implmentation in python

Bugs

• There is some warning in database module that causes a lot of empty lines printout when warning levels are higher.

TODO For list of modules and their descriptions see documentation at: https://mstekiel.github.io/mikibox/build/html/index.html

Installation

1. Create an empty virtual environment with the python version specified in setup.py: python-version
2. Install mikibox locally with python setup.py develop or pip install -e .. The develop/-e option allows to modify the source files and adapt to current needs. If you want to install extra packages for full development utilities do pip install -e .[dev].

Installation FAQ:

• For a lightweight, fast installation miniconda is a great solution. A throwback is, its package manager conda or pip will nominally install the newest version of packages from their channels, which may produce problems. A good solution is to check the list of packages installed by Anaconda for your platform (https://docs.anaconda.com/anaconda/packages/pkg-docs/) and follow the version of packages from there. Otherwise, one might need to carefully test which version of each packages are compatible with each other.

• setup.py file should contain the compatible combination of packages.

• Install with python setup.py develop in development mode, so that all changes in the source code will work for future local scripts.

• One can also just download all source files from this Github project to a location LOC, and in each python file include lines

  import sys

  sys.path.append(LOC)

  Import mikibox and continue without installation.

• numpy==1.23.1 requires python>3.10 I believe. It didnt want to work with python==3.8

• matplotlib==3.6 is not in conda repository as of 19.10.2022, but 3.5.2 is and works well.

General notes

• I tried to follow the structure of https://github.com/pypa/sampleproject for the development of this project. Following descriptions from https://python-packaging-tutorial.readthedocs.io/en/latest/setup_py.html