diff --git a/README.md b/README.md index 390a0b3..88d4c2c 100644 --- a/README.md +++ b/README.md @@ -33,27 +33,28 @@ If this package was downloaded from pip, the source can be found on GitHub: http Try it out ------------- -You can try out `xrdfit` directly in your browser with Binder: https://mybinder.org/v2/gh/LightForm-group/xrdfit/v1.0.0?filepath=%2Ftutorial%20notebooks -Note that `Tutorial Notebook 4` will not run correctly in Binder as it requires the download of a supplementary dataset (https://zenodo.org/record/3630511#.XjHhJGj7SUl) which is not included in the source repository due to its size. +You can try out `xrdfit` directly in your browser with Binder by clicking [here](https://mybinder.org/v2/gh/LightForm-group/xrdfit/master). + +Note that `Tutorial Notebook 4` will not run correctly in Binder as it requires the download of a [supplementary dataset](https://zenodo.org/record/3630511#.XjHhJGj7SUl) which is not included in the source repository due to its size. Compatibility -------------- The code was developed and tested with Python version 3.8. The minimum required Python version is 3.6. If you install the dependencies of xrdfit using the specification in requirements.txt, this will use the same package versions used by the developers. While this is good for reproducibility, it is worth noting that -if you are using a newer Python version > 3.8, some of these packages may not have binary wheels for your version and may require compilation. +if you are using a newer Python version (> 3.8), some of these packages may not have binary wheels for your version and may require compilation. Required libraries -------------------- This module uses the Python libraries: -* NumPy (https://numpy.org/) -* matplotlib (https://matplotlib.org/) -* pandas (https://pandas.pydata.org/) -* dill (https://pypi.org/project/dill/) -* tqdm (https://tqdm.github.io/) -* SciPy (https://www.scipy.org/) -* lmfit (https://lmfit.github.io/lmfit-py/) +* [NumPy](https://numpy.org/) +* [matplotlib](https://matplotlib.org/) +* [pandas](https://pandas.pydata.org/) +* [dill](https://pypi.org/project/dill/) +* [tqdm ](https://tqdm.github.io/) +* [SciPy](https://www.scipy.org/) +* [lmfit](https://lmfit.github.io/lmfit-py/) The following libraries are required to use the tutorial documentation workbooks: -* Jupyter (https://jupyter.org/) +* [Jupyter](https://jupyter.org/) diff --git a/docs/source/index.rst b/docs/source/index.rst index 2e6e77a..10c594e 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -26,13 +26,20 @@ The current development version is available on `github Getting started -================ +================== This documentation is primarily an API reference, auto-generated from the docstrings in the source code. -The primary source of documentation for new users is a series of tutorial Jupyter Notebooks which are included with the source code. +The primary source of documentation for new users is a series of tutorial Jupyter Notebooks which are included with +the source code. You can check out the tutorial notebooks online in your browser at `Binder `_. -The source and notebooks are available on the project’s GitHub page: ``_ +Testing +======== + +The code does not contain formal tests but almost all of the features are covered in the tutorial notebooks. If you can run +these then you have installed xrdfit successfully! + +The source and tutorial notebooks are available on the `xrdfit` `GitHub page `_. Comparison to other peak fitting tools @@ -41,7 +48,7 @@ Comparison to other peak fitting tools DAWN ----- -`DAWN `_ is a multipurpose framework, developed to deal with analysis of a whole range of +`DAWN `_ is a multipurpose framework, developed to deal with analysis of a whole range of datasets measured from beamline experiments. It is the most comparable tool we have come across in terms of its ability to do simple fits like those done by `xrdfit`. diff --git a/setup.py b/setup.py index b7b87cd..3cdd41c 100644 --- a/setup.py +++ b/setup.py @@ -5,7 +5,7 @@ setup( name='xrdfit', - version='1.0.0', + version='1.1.0', description='Automated fitting of XRD peaks using Pseudo-Voight fits', author='Peter Crowther, Christopher Daniel', long_description=long_description,