Get NCrystal

There are various manners in which one might acquire NCrystal. We mention a few on this page. No matter how you get it, you are then ready to start Using-NCrystal.

1. Install via conda

NCrystal is available in the conda-forge channel, for instance via the command:

conda install conda-forge::ncrystal

You might want to install additional packages like matplotlib, spglib, gemmi, and ase to access all features of the NCrystal cmdline and Python API.

2. Install via pip

NCrystal is also available on PyPI, so it can be installed via the command:

pip install ncrystal

Some features might require additional dependencies. If you install via pip install "ncrystal[all]", you should get them all (refer to this file for more details).

3. Installing from source

Please refer to the instructions here.

4. Install it via other package managers

Community efforts has so far produced system packages of NCrystal for at least Debian/Ubuntu and FreeBSD. However, be aware that distribution through such channels is often a longer process, and the version of NCrystal you get in this manner might be somewhat outdated. Additionally, the NCrystal developers themselves are not testing such packages.