Rust kernels for phonopy and phono3py.
phonors is a Rust extension module providing the heavy numerical
kernels used by phono3py
(via the phono3py[rust] extra) and intended to also back
phonopy as its C kernels are
ported. It is built with maturin and
PyO3, distributed as abi3-py310 wheels
(Python 3.10+).
pip install phonorsconda install -c conda-forge phonorsFor local development, build and install the extension in editable mode against the active Python environment:
maturin develop --releasematurin develop installs the phonors extension into the active
environment; from then on, import phonors from anywhere hits the
editable build. Re-run after Rust changes.
By default, maturin develop --release builds with the Rust baseline
target (x86-64 v1 on x86_64, Armv8.0 on aarch64), so the resulting
module runs on any CPU of that architecture. For a local build that
will only run on the current machine, enabling the host CPU's full
instruction set can recover a few percent of wall-clock:
RUSTFLAGS='-C target-cpu=native' maturin develop --releaseBSD-3-Clause. See LICENSE.