TheochemUI/eOn: eOn v2.10.0
Abstract
2.16.1 - 2026-07-17 Added Prefer installed rgpot via pkg-config before the Meson subproject wrap; pin wrap to rgpot v2.5.0 (headers + rgpot.pc). Prefer installed nlohmann_json (system/EasyBuild module) with wrap fallback, matching the readcon pattern. RGPOT backend=metatomic dlopens libmetatomic_engine.so (same packaging path as rgpot's multi-ABI engines; no fat metatomic/torch link into eOn). RGPOT backend=xtb dlopens libxtb_engine.so (no -Dwith_xtb link). Native XTBPot remains available but prints a packaging deprecation warning; default stays with_xtb=false. Fixed SafeMath Eigen helpers accept Eigen 5's EIGEN_CORE_MODULE_H include guard (as well as Eigen < 5 EIGEN_CORE_H), so safe_normalized no longer disappears against Eigen >= 5.
Fields of Study & Subjects
Advanced Physical and Chemical Molecular Interactions
Advanced Chemical Physics Studies
Spectroscopy and Quantum Chemical Studies
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 9 February 2026
- Language
- EN