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ESPResSo 4.2.0 feature freeze


From: Jean-Noël Grad
Subject: ESPResSo 4.2.0 feature freeze
Date: Tue, 15 Mar 2022 20:16:56 +0100
User-agent: Mozilla/5.0 (X11; Linux i686; rv:91.0) Gecko/20100101 Thunderbird/91.6.2

Dear ESPResSo users and contributors,

The ESPResSo team is happy to announce the development version on GitHub has reached the stability threshold necessary for a 4.2.0 release. We planned a feature freeze on the 15th of April and an official release in May of this year.

We warmly invite you to try out the python branch in April and report any build issue that is not already addressed in the installation FAQ [1]. We would also like to hear about any software bug you may encounter while porting your simulation scripts to the python branch. Several API changes will break 4.1.4 scripts, in particular: the global random number generator was removed, particle access via `system.part[i]` is now done via `system.part.by_id(i)`, reaction methods now take keyword arguments and the ELC actor now takes a P3M actor as argument. A complete list of API changes is available in [2]. We recommend building the development branch in a new build folder to avoid issues with Cython ImportError [3].

The ESPResSo team and the ESPResSo community have been busy preparing the next software releases over the last 18 months. The 4.2.0 release will replace the aging 4.1.4 release with many quality-of-life improvements and new features, such as breakable and reversible bonds, Lees-Edwards boundary conditions, Stokesian Dynamics and Brownian Dynamics. The 4.3.0 release will ship with a brand new lattice-Boltzmann framework based on waLBerla [4] and a new diffusion-advection-reaction solver for modelling electrokinetics and catalysis. The development version of 4.3.0 will become the python branch soon after 4.2.0 is released.

Best regards,
Jean-Noël Grad

Links:
[1] https://github.com/espressomd/espresso/wiki/Installation-FAQ
[2] https://github.com/espressomd/espresso/wiki/es-420-release-notes#interface-changes [3] https://github.com/espressomd/espresso/wiki/Installation-FAQ#Import_errors_due_to_missing_symbols
[4] https://walberla.net



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