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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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