New Release 1.5 of SSCHA

[mesonepigreco]

The SSCHA code has a new release 1.5 after more than one year of development.

The release 1.5 finally solves all the compatibility issues with the most recent version of python, allowing it to run on python 3.13. This involves a new build system based on meson which should make installation much easier.

Release Notes – Version 1.5

Highlights

• Meson build system
  • Migration to the Meson build system.
  • Dropped the deprecated installation via numpy.distutils.
  • Full compatibility with Python 3.13 and spglib ≥ 2.2.

New Features

• LO–TO splitting in interpolation
  • Added support for LO–TO splitting in the Interpolate method.
  • Enables computation of harmonic free energies for polar materials on dense q-grids.
• Local cluster submission
  • Comply with the new clusters that require 2FA by allowing a SSCHA job to run directly on a cluster and submit and manage other jobs without requiring an active ssh connection to the cluster. This can be achieved with the LocalCluster class.

Enhancements

• Acoustic Sum Rule for 1D systems
  • Implemented enforcement of the acoustic sum rule for 1D materials.

Tons of minor bugfixes and small improvements!