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python3-espressomd-4.0.1-bp153.1.17 RPM for ppc64le

From OpenSuSE Leap 15.3 for ppc64le

Name: python3-espressomd Distribution: SUSE Linux Enterprise 15 SP3
Version: 4.0.1 Vendor: openSUSE
Release: bp153.1.17 Build date: Sat Mar 6 10:58:01 2021
Group: Productivity/Scientific/Chemistry Build host: obs-power8-04
Size: 10830945 Source RPM: python3-espressomd-4.0.1-bp153.1.17.src.rpm
Packager: https://bugs.opensuse.org
Url: http://espressomd.org
Summary: Parallel simulation software for soft matter research
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.

Provides

Requires

License

GPL-3.0-or-later

Changelog

* Fri Jan 25 2019 Christoph Junghans <junghans@votca.org>
  - Version bump to 4.0.1
    * Many small bugfixes
  - Drop 2255.patch, 2259.patch and 2265.patch - merged upstream
* Fri Sep 28 2018 Christoph Junghans <junghans@votca.org>
  - added change from request #639007
    - rename package to python3-espressomd
    - install COPYING for all packages
    - change license to GPL-3.0-or-later
    - added sonum define
* Fri Sep 07 2018 junghans@votca.org
  - Version bump to 4.0.0
  - Rename pacakge to python-espressomd
  - Dropped 1830.patch - merged upstream
  - Dropped doc package - under rework in 4.0.0
  - New features:
    - Reaction ensemble methods for the modelling of chemical reactions, including constant pH and Wang-Landau schemes.
    - Polarisable particles via the Drude-oscillator scheme.
    - Steepest-descent energy minimization scheme.
    - Methods for active particles (swimmer_reaction, dipolar swimmers).
    - GPU-accelerated P3M method for electrostatic interactions.
    - GPU-accelerated direct summation and Barnes-Hutt schemes for dipolar interactions under open boundary conditions.
    - Support for the electrostatic and magnetostatics method provided by the ScaFaCoS library.
    - Immersed boundary method for soft immersed objects in an LB fluid.
    - Virtual sites acting as inertialess tracers in an LB fluid usable as part of the immersed boundary method or independently.
    - New bonded quartic and Coulomb interactions.
    - Possibility to tune the skin parameter.
    - Support for saving to the h5md file format for molecular dynamics data.
    - Connection to the MD Analysis Python package.
    - A rotate_system command was added, which rotates the particle positions around the system’s center of mass.
  - Added 2255.patch to fix numpy issue on i586
  - Added 2259.patch to fix numpy issue on big-endian platforms
  - Added 2265.patch to fix test on i586
* Mon Feb 12 2018 junghans@votca.org
  - add 1830.patch to fix install
  - update version 3.3.1+git20180203.f74064d
    * many many small fixes
    * support for newer cython
* Wed Oct 25 2017 junghans@votca.org
  - adapt to new openlmi package - source mpivars.h during build
* Wed Feb 01 2017 adam.majer@suse.de
  - use individual libboost-*-devel packages instead of boost-devel
* Thu Sep 29 2016 jengelh@inai.de
  - RPM group fixup
* Wed Aug 03 2016 junghans@votca.org
  - switched to cmake build-system
  - build python module
  - dropped header as they are for internal use only
  - dropped pkg-config files as nothing depends on libs yet
  - update version 3.3.1+git20160803.6ed0518.tar.gz
    * overhaul of buildsystem
    * many many small fixes
* Sun Jun 26 2016 i@marguerite.su
  - fix boo#985147
    * there's a commit that removed redefinition of malloc and realloc
      which fixed build for gcc 6. but it's too hard to cherry pick, so
      update to the latest git version is a good idea
  - there's no --without-mpi option left in configure.ac, so "-openmpi"
    sub-package is meaningless now (everything has openmpi support)
    and since there's no two main packages any more, "-common" sub-package
    is also meaningless now (and it doesn't contains data), merged.
  - add sub-package: "-devel", "libEspresso0", "libEspressoTcl0"
  - add generate_headers.rb to gather those .hpp that're really used
    into "-devel" sub-package
  - create pkgconfig files
  - add some texlive BuildRequires to build pdf documentation.
  - update version 3.3.1+git20160622.6aa229c:
    * added edge statistics for meshes used by object-in-fluid
    * added pos_folded property
    * Adapted simple LB tests to current interface.
    * system.part.writevtk()
    * redesigned exclusions and added slice input
    * Scafacos: Add long range energy to correct place in energy data structure
    * Correction to scafacos energy calculation: Check cutoff in near field contrib
    * Scafacos: Sort out conditional compilation and cython includes
    * Scafacos: methods shared between electrostatics and dipolar calculations
* Sun Nov 08 2015 p.drouand@gmail.com
  - Update to version 3.3.1
    * A lot of changes; please read the NEWS file

Files

/usr/lib64/python3.6/site-packages/espressomd
/usr/lib64/python3.6/site-packages/espressomd/MDA_ESP
/usr/lib64/python3.6/site-packages/espressomd/MDA_ESP/__init__.py
/usr/lib64/python3.6/site-packages/espressomd/__cinit__.py
/usr/lib64/python3.6/site-packages/espressomd/__init__.py
/usr/lib64/python3.6/site-packages/espressomd/_init.so
/usr/lib64/python3.6/site-packages/espressomd/accumulators.py
/usr/lib64/python3.6/site-packages/espressomd/actors.so
/usr/lib64/python3.6/site-packages/espressomd/analyze.so
/usr/lib64/python3.6/site-packages/espressomd/cellsystem.so
/usr/lib64/python3.6/site-packages/espressomd/checkpointing.py
/usr/lib64/python3.6/site-packages/espressomd/cluster_analysis.py
/usr/lib64/python3.6/site-packages/espressomd/code_info.pyx
/usr/lib64/python3.6/site-packages/espressomd/code_info.so
/usr/lib64/python3.6/site-packages/espressomd/collision_detection.so
/usr/lib64/python3.6/site-packages/espressomd/comfixed.py
/usr/lib64/python3.6/site-packages/espressomd/constraints.py
/usr/lib64/python3.6/site-packages/espressomd/cuda_init.so
/usr/lib64/python3.6/site-packages/espressomd/diamond.so
/usr/lib64/python3.6/site-packages/espressomd/drude_helpers.py
/usr/lib64/python3.6/site-packages/espressomd/ekboundaries.py
/usr/lib64/python3.6/site-packages/espressomd/electrokinetics.so
/usr/lib64/python3.6/site-packages/espressomd/electrostatic_extensions.so
/usr/lib64/python3.6/site-packages/espressomd/electrostatics.so
/usr/lib64/python3.6/site-packages/espressomd/galilei.so
/usr/lib64/python3.6/site-packages/espressomd/gen_code_info.py
/usr/lib64/python3.6/site-packages/espressomd/gen_pxiconfig
/usr/lib64/python3.6/site-packages/espressomd/gen_pxiconfig.py
/usr/lib64/python3.6/site-packages/espressomd/globals.so
/usr/lib64/python3.6/site-packages/espressomd/highlander.py
/usr/lib64/python3.6/site-packages/espressomd/integrate.so
/usr/lib64/python3.6/site-packages/espressomd/interactions.so
/usr/lib64/python3.6/site-packages/espressomd/io
/usr/lib64/python3.6/site-packages/espressomd/io/__init__.py
/usr/lib64/python3.6/site-packages/espressomd/io/mpiio.py
/usr/lib64/python3.6/site-packages/espressomd/io/writer
/usr/lib64/python3.6/site-packages/espressomd/io/writer/__init__.py
/usr/lib64/python3.6/site-packages/espressomd/io/writer/h5md.py
/usr/lib64/python3.6/site-packages/espressomd/io/writer/vtf.py
/usr/lib64/python3.6/site-packages/espressomd/lb.so
/usr/lib64/python3.6/site-packages/espressomd/lbboundaries.py
/usr/lib64/python3.6/site-packages/espressomd/magnetostatic_extensions.so
/usr/lib64/python3.6/site-packages/espressomd/magnetostatics.so
/usr/lib64/python3.6/site-packages/espressomd/minimize_energy.so
/usr/lib64/python3.6/site-packages/espressomd/myconfig.pxi
/usr/lib64/python3.6/site-packages/espressomd/observables.py
/usr/lib64/python3.6/site-packages/espressomd/pair_criteria.py
/usr/lib64/python3.6/site-packages/espressomd/particle_data.so
/usr/lib64/python3.6/site-packages/espressomd/polymer.so
/usr/lib64/python3.6/site-packages/espressomd/reaction_ensemble.so
/usr/lib64/python3.6/site-packages/espressomd/scafacos.so
/usr/lib64/python3.6/site-packages/espressomd/script_interface.so
/usr/lib64/python3.6/site-packages/espressomd/shapes.py
/usr/lib64/python3.6/site-packages/espressomd/swimmer_reaction.so
/usr/lib64/python3.6/site-packages/espressomd/system.so
/usr/lib64/python3.6/site-packages/espressomd/thermostat.so
/usr/lib64/python3.6/site-packages/espressomd/utils.so
/usr/lib64/python3.6/site-packages/espressomd/version.so
/usr/lib64/python3.6/site-packages/espressomd/virtual_sites.py
/usr/lib64/python3.6/site-packages/espressomd/visualization.so
/usr/lib64/python3.6/site-packages/espressomd/visualization_mayavi.so
/usr/lib64/python3.6/site-packages/espressomd/visualization_opengl.so
/usr/share/doc/packages/python3-espressomd
/usr/share/doc/packages/python3-espressomd/AUTHORS
/usr/share/doc/packages/python3-espressomd/ChangeLog
/usr/share/doc/packages/python3-espressomd/NEWS
/usr/share/doc/packages/python3-espressomd/README
/usr/share/licenses/python3-espressomd
/usr/share/licenses/python3-espressomd/COPYING


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