[v2.8.0] - 2025-09-04

First release in a decade.

Five years of work: new transition-state methods, more potential interfaces, and a Meson build that runs on Linux, macOS, and Windows.

Highlights

• RO-NEB-CI: climbing-image NEB with a rotating-orbit refinement for locating complex transition states.

• Machine-Learned Potentials with metatomic: Full support for metatomic potentials via the metatensor ecosystem.

• Expanded Potential Interfaces: Drastically increased interoperability with direct interfaces for NWChem, ORCA, AMS, XTB, and ASE.

• Input Validation and Schema: A Pydantic schema for all configuration files provides automatic input validation and clearer error messages.

• Meson build: one build on Linux, macOS, and Windows.

Papers that use these methods are listed with the rest of the changes:

Contents

• Release notes
• Related publications