Installation¶

spatula binaries are available on conda-forge and PyPI. You can also compile spatula from source.

Binaries¶

conda-forge package¶

spatula is available on conda-forge for the linux-64, osx-64, osx-arm64 and win-64 architectures. Execute one of the following commands to install spatula:

Pixi

pixi add spatula

Micromamba

micromamba install spatula

Mamba

mamba install spatula

PyPI¶

Use uv or pip to install spatula binaries from PyPI into a virtual environment:

uv pip install spatula-analysis

pip

python3 -m pip install spatula-analysis

Compile from source¶

The following are required for building and installing spatula from source:

A C++17-compliant compiler
Python
NumPy
Scipy
freud
nanobind
scikit-build-core
CMake

mamba install -c conda-forge cxx-compiler numpy scipy freud nanobind scikit-build-core cmake

All requirements other than the compiler can also be installed via the Python Package Index

uv pip install numpy scipy freud-analysis nanobind scikit-build-core cmake

The commands below clone and build spatula:

git clone https://github.com/glotzerlab/spatula.git
cd spatula
python -m pip install .

For faster incremental rebuilds during development, run the following command after source changes to reuse the existing build directory:

uv pip install --no-deps --no-build-isolation --force-reinstall -C build-dir=$PWD/build .

When developing code that makes use of the project’s ISPC extensions, or when building from source to maximize performance, users must also install the requisite compiler. This is available from most package managers, or via conda-forge:

Mamba

mamba install -c conda-forge ispc

Homebrew (macOS)

brew install ispc

apt (Ubuntu)

sudo apt-get install ispc

Building Documentation¶

The documentation can also be built locally. The required packages are

furo
sphinx
sphinxcontrib-bibtex
sphinxcontrib-katex
ipython
nbsphinx
sphinx-inline-tabs

These can be installed with python -m pip install sphinx furo sphinxcontrib-bibtex sphinxcontrib-katex ipython nbsphinx sphinx-inline-tabs. Navigate to docs folder cd docs. To build documentation in html form run make html. To view the built documentation open the index.html file in ./docs/build with your preferred browser.