Install

The hklpy package should be installed by conda so that the libhkl compiled library is installed properly. That library is only compiled for workstations with Linux x86_64 architecture.

conda

If you are using Anaconda Python and have conda installed, install the most recent hklpy release with this command:

conda install conda-forge::hklpy

source

The hklpy source code can be downloaded from the GitHub repository:

$ git clone http://github.com/bluesky/hklpy.git

Note

libhkl library must be installed.

Here are two possible ways, both involve conda installations to satisfy project requirements.

1. Install hklpy first with conda

2. Create and activate a custom conda environment using hklpy’s environment.yml file:

   conda env create -n hklpy-source -f environment.yml
   conda activate hklpy-source
   

After one of these steps, then install hklpy from source as shown next.

To install from the source directory using pip in editable mode:

$ cd hklpy
$ python -m pip install -e .

Required Libraries

The repository’s environment.yml file lists the additional packages required by hklpy. Most packages are available as conda packages from https://anaconda.org. The others are available on https://PyPI.python.org.

Test the installation

Test that hklpy and the libhkl library have been installed by creating a simulated 4-circle diffractometer and showing its default settings:

python -c "import hkl; fourc=hkl.SimulatedE4CV('', name='fourc'); fourc.wh()"