Building from source

The following guide is intended for developers looking to iterate on the wrenfold source code. The recommended path for most users is to install a wheel.

Download the code

First, clone the repository and the submodules in the dependencies directory:

git clone https://github.com/wrenfold/wrenfold.git
cd wrenfold
git submodule update --init --recursive

Building via pip

There are two methods for building wrenfold from source. Building via pip is the easier method. This creates only the wrenfold library itself (skipping all tests and examples). wrenfold uses scikit-build-core for python packaging.

With your python virtual environment active, execute the following from the repository root:

pip install . --verbose

Building with cmake

Requirements

Building directly with cmake is the recommend path if you need to iterate on the source code.

You will need the following tools:

  • cmake >= 3.20

  • ninja >= 1.5 (other build systems are not explicitly tested at this time)

  • python >= 3.9

  • mypy (required for stubgen)

To run python tests you will additionally need:

  • numpy

  • SymPy

To build and run Rust tests you will need:

  • The rust compiler toolchain

  • On linux and windows: pkg-config and openblas.

To build documentation:

The repo includes conda configuration files that can be used to create a conda environment suitable for building and testing:

conda create -n wf
conda env update -n wf --file environment.yml
conda env update -n wf --file <PLATFORM>-environment.yml
conda activate wf

Where <PLATFORM> is one of mac, linux, or windows. The rust tools must be installed separately with rustup.

Compilation

Tip

When building on Windows, make sure you are executing commands from the Visual Studio Command Prompt, or in a shell with MSVC on the path.

To configure with cmake and build the library + all tests and examples, execute:

cd <path to wrenfold repo>
mkdir build
cd build
cmake .. -DCMAKE_BUILD_TYPE=RelWithDebInfo -Wno-deprecated -G Ninja
cmake --build .

The C++ and python tests are executed via ctest.

Running rust tests

Rust tests must be compiled and run separately after the cmake build step:

cargo test --tests --release

Cargo does not presently invoke cmake --build if code generators are stale. To force rust code to be re-generated, run cmake --build --target wf_rust_generation.

Configuring the python path for development

If you would like to iterate on python examples or tests, you will need to configure the python path to point to the wrenfold repository. In bash:

export REPO_ROOT=$(pwd)
export PYTHONPATH="$REPO_ROOT/components/python:$REPO_ROOT/build/components/wrapper"

Or, for PowerShell:

$env:REPO_ROOT = (Get-Location).path
$env:PYTHONPATH = "$env:REPO_ROOT\components\python;$env:REPO_ROOT\build\components\wrapper"