--- myst: html_meta: "description": "Detailed release notes for eOn v2.8.2, covering Metatomic uncertainty features, build system updates, and dependency changes." "keywords": "eOn v2.8.2 release notes, new features, enhancements, bug fixes" --- # Release notes ## [v2.8.2] - 2025-12-01 This release focuses on integrating uncertainty quantification into the Metatomic potential interface and modernizing the build and dependency infrastructure. ### ✨ New Features * **Metatomic Uncertainty:** Added support for checking per-atom energy uncertainty in Metatomic potentials. * Introduced the `uncertainty_threshold` parameter (default: `0.1`, corresponding to \~100 meV/atom). * If the model supports the `energy_uncertainty` output (e.g., PET-MAD), eOn will now warn if atoms exceed this threshold. * The **variance** is now automatically populated using the mean of these per-atom uncertainties if available. * **Pixi Build System:** Added new environments (`rel`, `eon`) and tasks to `pixi.toml` to streamline the release process and simplify local builds. ### 🚀 Enhancements * **Device Selection:** The Metatomic potential now utilizes the `metatomic_torch::pick_device` API for more robust device selection (CPU/GPU) based on model capabilities. * **Model Loading:** Updated the internal loading mechanism to use `metatensor_torch::Module` for better compatibility with recent Metatensor versions. ### 📦 Dependencies * **PyTorch:** Updated to `v2.8`. * **Metatomic/Metatensor:** Updated dependencies to `metatomic-torch >= 0.1.7` and `metatensor-torch >= 0.8.2` to support the new uncertainty APIs. * **Pydantic:** Pinned specific versions to resolve linting and compatibility issues in the build environment.