ESPResSo
ESPResSo is a highly versatile software package for performing and analyzing scientific Molecular Dynamics many-particle simulations of coarse-grained atomistic or bead-spring models as they are used in soft-matter research in physics, chemistry and molecular biology. It can be used to simulate systems such as polymers, liquid crystals, colloids, ferrofluids and biological systems, for example DNA and lipid membranes.
- Developed at devel:languages:python:numeric
- Sources inherited from project openSUSE:Factory
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3
derived packages
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osc -A https://api.opensuse.org checkout openSUSE:Backports:SLE-15-SP4:FactoryCandidates/python3-espressomd && cd $_
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Source Files
Filename | Size | Changed |
---|---|---|
array-bounds.patch | 0000000903 903 Bytes | |
espresso-4.2.1.tar.gz | 0013458982 12.8 MB | |
mpi.patch | 0000018867 18.4 KB | |
python3-espressomd.changes | 0000029907 29.2 KB | |
python3-espressomd.spec | 0000004286 4.19 KB | |
setuptools.patch | 0000000724 724 Bytes | |
tracers.patch | 0000000592 592 Bytes |
Latest Revision
Ana Guerrero (anag+factory)
accepted
request 1144047
from
Christoph Junghans (cjunghans)
(revision 20)
- Fix undefined behavior due to improper handling of MPI static globals - Add mpi.patch to remove MPI globals (gh#espressomd/espresso#4858)
Comments 1
It fails due to a bug in boost-1.74 https://github.com/espressomd/espresso/issues/3864#issuecomment-675059664, @dirkmueller, can we patch the fix from https://github.com/boostorg/serialization/issues/217 into our boost package.