- add 3427.patch to fix tests on i586

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baserev update by copy to link target

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update comments

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- Update to 4.1.2:
  - The interface has not been changed between ESPResSo 4.1.1 and
    4.1.2.
  - General corrections and improvements:
    - Remove correlation between the rotational noise and
      translational noise in the Langevin thermostat (#3355)
    - Fix a bug that may cause the wrong temperature to be set by
      the Langevin and DPD thermostats in the first time step
      after the system was altered from the Python level, e.g.,
      by changing particles or interactions (#3341)
    - Fix a bug that caused the DPD thermostat to generate an
      incorrect velocity distribution when used together with the
      Langevin thermostat (#3352)
    - Fix a bug in MMM2D and ELC with potential boundary
      conditions, where one of the correction factors was
      over-counted resulting in wrong energies (#3310)
    - Fix a bug that caused the wrong bonds to be deleted when
      removing particles from the system (#3356)
    - Fix an ambiguity in `ParticleSlice`: the values in the
      square brackets refer to particle ids, not array indices
      (#3367). This means the ill-defined syntax
      `system.part[0:-1]` is no longer valid. See the User Guide
      section on Setting up particles for more information.
    - Remove the mass prefactor in the `ComForce` observable and
      use the correct Particle ids in the
      `ParticleAngularVelocities` and `ParticleBodyVelocities`
      observables (#3380)
    - Fix a rounding error that caused debug builds of ESPResSo
      running with multiple MPI threads to crash when a particle
      was placed exactly on the boundary between two cells

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- Version bump to 4.1.1
  * Restore checkpointing mechanism for the steepest descent and NPT
    integrators, LB and NPT thermostats (#3245)
  * Increase the minimum MPI version to 3.0; OpenMPI versions 1.6.5 and
    lower are no longer supported (#3236)
  * Fix `Integrator.set_isotropic_npt()`: remove the silent conversion of
    the incorrect input parameter `direction=[0,0,0]` to `[1,1,1]` in the
    core; the function now throws an exception for fixed-volume boxes;
    this change is unlikely to break pypresso scripts since not providing
    a value to `direction` or providing `[1,1,1]` were the two standard
    ways to set up a box with all directions allowed to rescale (#3253)
  * Fix `Integrator.set_vv()`: this function failed to set the velocity
    Verlet integrator if the NPT integrator was active; this is now
    resolved (#3274)
  * Fix the random segmentation fault triggered by the removal of a
    particle with a bond or a virtual site relationship to another
    particle (#3288)
  * Fix `system.part.writevtk()`: the function now writes down all
    particles when using `types="all"` (#3290)
  * Disable the deprecated and broken ENGINE shear torque calculation
    feature; the feature will be completely removed from the core in
    the upcoming 4.2 release (#3277)
  * Fix unit conversion for the LB fluid viscosity (#3287)

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- Version bump to 4.0.2
  *Corrections for bugs that may harm simulation results:
   * A sign error in tabulated interactions was corrected such that
     the force equals the negative gradient of the potential.
     (#2519,2520)
   * The flow field of the CPU lattice-Boltzmann implementation was
     deleted when aspects of the molecular dynamics cell grid were
     changed; E.g., when interactions, the skin or the parallelization
     setup were changed. ESPResSo now terminates with an error, when this
     happens. To avoid this, please setup the CPU lattice-Boltzmann after
     all other aspects of the system. The GPU LB is not affected in the
     4.0 release, but was affected in the current development branch.
     (#2728, #2736)
   * Corrected the force acting on LB Boundaries for the case of
     agrid and density not equal to 1 (#2624).
   * Corrected the cutoff calculation for the soft sphere interaction. In
     the previous implementation, the offset parameter was ignored.
     (#2505)
   * The "three point coupling" of particles to the lattice-Boltzmann
     method has been removed. While it works in most environments, for
     some compilers the calculation gives wrong values. This is likely
     caused by undefined behavior. A corrected implementation is
     available in ESPResSo's development branch. It cannot be safely
     backported to 4.0.2, because the code has diverged too far. (#2516,
     #2517) Users who did not explicitly activate this coupling via
     couple="3pt" are not affected.
   * The velocity of existing particles was changed when setting or
     changing the simulation time step (#2480)
 * Further changes:
   * Fixed the electrokinetic Python interface (#2486)
   * Correction to the installation instructions for mac (#2510)
   * Corrected file permissions (#2470)
   * Minor corrections and extensions to the test suite (#2477, #2552)
   * Fixed a dead-lock in the dipolar Barnes Hutt method on the GPU for
     recent NVIDIA cards such as RTX 2080 (#2719).
   * Restored Mayavi visualizer's API-compatibility with OpenGL
     visualizer (#2751)

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- Version bump to 4.0.1 
  * Many small bugfixes
- Drop 2255.patch, 2259.patch and 2265.patch - merged upstream

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converted link to branch

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initialized devel package after accepting 642286

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- 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
- 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
- add 1830.patch to fix install
- update version 3.3.1+git20180203.f74064d
  * many many small fixes
  * support for newer cython
- adapt to new openlmi package - source mpivars.h during build
- use individual libboost-*-devel packages instead of boost-devel
- RPM group fixup
- 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
- 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
- Update to version 3.3.1
  * A lot of changes; please read the NEWS file
- version bumped to 3.3.0
- Highlights of this release include:
  - Calculation of the electrokinetic equations via the ELECTROKINETICS feature,
   - the Shan/Chen method for multi component lattice Boltzmann fluids,
   - the P3M and MMM1D methods can now be computed on a GPU,
   -  ESPResSo now has a rudimentary Python interface.
   For a complete list of the changes in the release, please refer to:
   http://download.savannah.gnu.org/releases/espressomd/NEWS
- build openmpi and non-mpi version
- initial commit

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