HEXRD

The HEXRD project is developing a cross-platform, open-source library for the general analysis of X-ray diffraction data. This includes powder diffraction, Laue diffraction, and High Energy Diffraction Microscopy (a.k.a. 3DXRD, multi-grain rotation method) modalities. At its core, HEXRD provides an abstraction of a generic diffraction instrument with support for multiple detectors. This includes optimized transforms from the direct and reciprocal crystal lattices to the local detector coordinates, harnesses for interpolating image data into scattering angle coordinates, and sophisticated calibration routines.

Installing

Requires Python 3.8+

OSX

On OSX hexrd requires Python from conda-forge, to ensure it is built with the latest SDK. See the following issue for more details: HEXRD/hexrdgui#505. This can be installed using the following command:

conda install -c conda-forge python=3.8

Big Sur (OS X 11)

OS X 11 does not work with the Python from conda-forge. Please install a the version from the HEXRD channel

conda install -c HEXRD python=3.8.4

conda (release)

To install the latest stable release

conda install -c hexrd -c anaconda -c conda-forge hexrd

conda (prerelease)

To install the latest changes on master, do the following. Note that this release may be unstable.

conda install -c hexrd/label/hexrd-prerelease -c hexrd -c anaconda -c conda-forge hexrd

Run

There is currently a CLI for far-field HEDM analysis (a.k.a. 3DXRD)

hexrd

Development

Requires Python 3.8+ and a C compiler (e.g., gcc). First clone the Git repository

git clone https://github.com/HEXRD/hexrd.git

pip

# For now we need to explicitly install hexrd, until we push it to PyPI
pip install -e hexrd

conda

It is highly recommended to install hexrd in its own virtual env

conda create --name hexrd
conda activate hexrd

Linux

# First, make sure python3.8+ is installed in your target env.
# If it is not, run the following command:
conda install -c anaconda python=3.8
# Install deps using conda package
conda install -c hexrd -c anaconda -c conda-forge hexrd
# Now using pip to link repo's into environment for development
CONDA_BUILD=1 pip install --no-build-isolation --no-deps -U -e hexrd

Mac OS

# First, make sure python3.8+ is installed in your target env.
# On OSX you will need to use the Python package from conda-forge
# See the following issue for more details: https://github.com/HEXRD/hexrdgui/issues/505
conda install -c conda-forge python=3.8
# Install deps using conda package
conda install -c hexrd -c anaconda -c conda-forge hexrd
# Now using pip to link repo's into environment for development
CONDA_BUILD=1 pip install --no-build-isolation --no-deps -U -e hexrd

Windows

# First, make sure python3.8+ is installed in your target env.
# If it is not, run the following command:
conda install -c anaconda python=3.8
# Install deps using conda package
conda install -c hexrd -c anaconda -c conda-forge hexrd
# Now using pip to link repo's into environment for development
set CONDA_BUILD=1
pip install --no-build-isolation --no-deps -U -e hexrd