pybammsolvers 0.8.2

Python interface for the IDAKLU solver

IDAKLU solver

Standalone repository for the C/C++ solvers used in PyBaMM

Installation

From PyPI:

pip install pybammsolvers 

And from conda-forge (>=v0.7.0 only):

conda install pybammsolvers
# or mamba install pybammsolvers

Solvers

The following solvers are available:

• PyBaMM's IDAKLU solver

Development

Local builds

For testing new solvers and unsupported architectures, local builds are possible. The build backend is scikit-build-core; build-time dependencies (scikit-build-core, pybind11, cmake, ninja) are resolved automatically via PEP 517 isolation when running pip install.

Nox (Recommended)

Nox can be used to do a quick build:

pip install nox
nox

This will setup an environment and attempt to build the library.

MacOS

Mac dependencies can be installed using brew

brew install libomp
brew reinstall gcc
git submodule update --init --recursive
python install_KLU_Sundials.py
pip install .

Linux

Linux installs may vary based on the distribution, however, the basic build can be performed with the following commands:

sudo apt-get install libopenblas-dev gcc gfortran make g++ build-essential
git submodule update --init --recursive
python install_KLU_Sundials.py
pip install .

Custom SUNDIALS / SuiteSparse paths

If SUNDIALS and SuiteSparse are installed somewhere other than ./.idaklu, pass paths through pip's --config-settings:

pip install . \
    --config-settings=cmake.define.SUNDIALS_ROOT=/path/to/sundials \
    --config-settings=cmake.define.SuiteSparse_ROOT=/path/to/suitesparse

Editable installs and rebuilding the C++ extension

pip install -e .[dev] installs in editable mode with auto-rebuild on import: edits to C++ sources trigger a rebuild the next time pybammsolvers is imported. To force a rebuild manually (e.g. when auto-rebuild is bypassed in CI):

nox -s dev-rebuild

Testing

The project includes comprehensive test suites:

Unit Tests

Test pybammsolvers functionality in isolation:

nox -s unit            # Run all unit tests
nox -s integration     # Run all integration tests

PyBaMM Integration Tests

Verify compatibility with PyBaMM:

nox -s pybamm-tests                    # Clone/update PyBaMM and run all tests
nox -s pybamm-tests -- --unit-only     # Run only unit tests
nox -s pybamm-tests -- --integration-only  # Run only integration tests
nox -s pybamm-tests -- --no-update     # Skip git pull (use current version)
nox -s pybamm-tests -- --pybamm-dir ./custom/path  # Use existing PyBaMM clone
nox -s pybamm-tests -- --branch main  # Use specific branch/tag

The integration tests ensure that changes to pybammsolvers don't break PyBaMM functionality.

Benchmarks

Test for performance regressions against released PyBaMM:

nox -s benchmarks