iBeatles

GUI to automatically fit Bragg Edges, calculate and display strain mapping factors.

Runtime Environment Setup

It is recommended to use a virtual environment to install the dependencies for iBeatles. The following instructions are for setting up a virtual environment using conda.

Install Miniconda

Download and install Miniconda from https://docs.conda.io/en/latest/miniconda.html

Create a virtual environment

Create a virtual environment named iBeatles with given environment file.

conda env create -f environment.yml

Install iBeatles [Optional]

Activate the virtual environment:

conda activate iBeatles

Install iBeatles in editable mode:

pip install --no-deps -e .

The argument --no-deps is used to avoid installing the dependencies again from PyPI, as they are already installed in the virtual environment with Conda. In most cases, reinstalling the packages from PyPI again does not cause any runtime issues other than wasting disk space. However, in some rare cases, it may cause conflicts between the Conda and PyPI versions of the packages. Therefore we recommend using the --no-deps argument to avoid such conflicts.

Alternatively, if you do not want to install iBeatles, you need to modify your PYTHONPATH to include the path to the iBeatles directory.

export PYTHONPATH=/path/to/iBeatles:$PYTHONPATH

Run iBeatles

Activate the virtual environment:

conda activate iBeatles

Run iBeatles:

python -m ibeatles

or use the script directly

cd /path/to/iBeatles
python scripts/iBeatles

After that, all the normal setuptools magic applies.

Because the current version is still under development, it can be a little bit struggle to get it up and running...do not hesitate to contact me to get help on the installation (j35 at ornl.gov)

Development Environment Setup

The development environment is similar to the runtime environment, except that it is required to perform the installation in editable mode.

Here is a quick recap of the steps:

conda env create -f environment.yml
conda activate iBeatles
pip install -e .