Topas-tools

This release fixes an issue that prevented `topas_tools` from being installed from pypi.

This version of `topas_tools` works with Python 3.9 and higher.

You can now download and install `topas_tools` from pypi directly into your conda environment:

conda create -n topas_tools -c conda-forge cctbx-base
conda activate topas_tools
pip install topas_tools

These are set of small scripts and tools that were developed to help with structure refinement (of zeolites in particular) using the program TOPAS.

This version updates the documentation and makes the installation compatible with 2021 using conda.

Installation on Windows

Dependencies:
[python 2.7.11 (x64)](https://www.python.org/ftp/python/2.7.11/python-2.7.11.amd64.msi)
[numpy 1.10.0b1](https://github.com/stefsmeets/topas_tools/releases/download/v0.1.2/numpy-1.10.0b1-cp27-none-win_amd64.whl) (attached)
[scipy 0.16.0](https://github.com/stefsmeets/topas_tools/releases/download/v0.1.2/scipy-0.16.0-cp27-none-win_amd64.whl) (attached)
[CCTBX](https://github.com/stefsmeets/topas_tools/releases/download/v0.1.2/cctbx_mini-0.1.0-x64.zip)
1. Install Python
Run python-2.7.11.amd64.msi
Make sure to click "Add python.exe to Path", and to restart/relog so that changes take effect.
2. Install scipy & numpy
`pip install .\scipy-0.16.0-cp27-none-win_amd64.whl`
`pip install .\numpy-1.10.0b1-cp27-none-win_amd64.whl`
3. Install matplotlib & pandas
`pip install matplotlib`
`pip install pandas`
4. Install CCTBX:
Unzip [cctbx_mini-0.1.0-x64.zip](https://github.com/stefsmeets/topas_tools/releases/download/v0.1.2/cctbx_mini-0.1.0-x64.zip)
Run setup_win.bat or run `python setup.py install`
5. Install topas_tools:
Unzip [topas_tools-0.1.2.zip](https://github.com/stefsmeets/topas_tools/releases/download/v0.1.2/topas_tools-0.1.2.zip)
Run setup_win.bat or run `python setup.py install`
You can use ./bin/topasdiff.bat as a shortcut for the topasdiff gui

The alternative is to get the .whl files from here:
http://www.lfd.uci.edu/~gohlke/pythonlibs/#numpy
http://www.lfd.uci.edu/~gohlke/pythonlibs/#scipy
http://www.lfd.uci.edu/~gohlke/pythonlibs/#matplotlib
http://www.lfd.uci.edu/~gohlke/pythonlibs/#pandas