File votca-csg.changes of Package votca-csg

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File votca-csg.changes of Package votca-csg (Revision fb9f50609fa96061df806c17351633f7)

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Sun Sep  3 13:26:48 UTC 2017 - junghans@votca.org

- Upgrade to 1.4.1
  * fix pkg-config files
  * fix build with gmx-2017
  * added CSG_MDRUN_OPTS to run_gromacs.sh
  * table_to_tab.pl: fix forces for LAMMPS
  * csg_inverse: warn users of bug #179
  * run_gromacs.sh: check nstxout-compressed
  * details: https://github.com/votca/csg/blob/master/CHANGELOG.md

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Thu Feb  2 15:33:37 UTC 2017 - adam.majer@suse.de

- use individual libboost-*-devel packages instead of boost-devel

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Mon Oct 31 00:21:06 UTC 2016 - jengelh@inai.de

- Update descriptions.

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Sat Oct 29 21:31:14 UTC 2016 - junghans@votca.org

- Upgrade to 1.4
  * added cibi tutorial and manual section
  * xmltopologyparser: tokenize on \n and \t as well (#195)
  * details: https://github.com/votca/csg/blob/master/CHANGELOG.md

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Tue Sep 27 18:14:08 UTC 2016 - junghans@votca.org

- Upgrade to 1.4_rc1
  * switch to c++-11
  * dihedral support in csg_fmatch
  * support for tabulated bond in >=gmx-5
  * added full featured XMLTopologyReader
  * added regularization for IMC
  * changed neighborlist from std::list to std::vector
  * added cibi method
  * lots of reader bug fixes
  * dropped support for gromacs-4 and clean up
  * dropped multi_g_rdf script
  * dropped thermforce iteration method
  * moved h5md reader to hdf5 without c++ api
  * details: https://github.com/votca/csg/blob/master/CHANGELOG.md

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Sun Aug 21 12:05:33 UTC 2016 - jengelh@inai.de

- RPM group update

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Fri Aug 19 21:35:35 UTC 2016 - junghans@votca.org

- Upgrade to 1.3.1
  * fixed build with >=cmake-3.4
  * details: https://github.com/votca/csg/blob/master/CHANGELOG.md

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Fri Jan 15 23:14:20 UTC 2016 - junghans@votca.org

- Upgrade to 1.3
  * re-implemented csg_boltzmann --excl
  * added support for upcoming gromacs 2016
  * details see 1.3 section of:
    https://github.com/votca/csg/blob/master/CHANGELOG.md
    or included CHANGELOG.md file

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Thu Oct  8 10:33:32 UTC 2015 - junghans@votca.org

- Upgrade to 1.3_rc1
  * details: https://github.com/votca/csg/blob/master/CHANGELOG.md

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Mon Sep  8 14:57:07 UTC 2014 - junghans@votca.org

- depend on gromacs-devel instead for pkgconfig(libgmx) as
  gromacs-5.0 comes with libgromacs instead of libgmx

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Fri Sep  5 22:00:07 UTC 2014 - junghans@votca.org

- Update to 1.2.4
  - support for Gromacs 5.0

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Fri Dec  6 14:40:08 UTC 2013 - junghans@votca.org

- clean up for inclusion in OpenSuse:Factory

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Thu Oct 31 04:10:56 UTC 2013 - junghans@votca.org

- Upgrade to 1.2.3

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Sun Aug 28 11:06:21 UTC 2011 - kkaempf@suse.com

- Upgrade to 1.2.1
  - fixed lib soname, adapt BuildRequires
  - csg_inverse: improve initial guess of the potential
  - csg_inverse: fixes for min!=0
  - table_extrapolate.pl: fixed flags and first point
  - fixed tf iteration for multiple components
  - fixed round-off error in grid search and csg_calc
  - csg_inverse: typo fixed and additional checks

- Version 1.2 (SuperDoris)
  - changed buildsystem to cmake
  - added thermforce iteration method
  - added csg_density
  - a lot of framework clean up
  - added type selector name:*
  - allow long and restart of simulations

- Version 1.1.2
  - fixed head of votca-csg manpage
  - csg_fmatch: added support for known forces (--trj-force option)

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Thu Mar  3 08:41:17 UTC 2011 - kkaempf@novell.com

- Upgrade to 1.1.1
  - parallel analysis using threads, some tools have a '--nt'
    option (e.g. fast parallel rdf calculation using grid search)
  - new spline types in csg_resample (akima, linear)
  - csg_inverse has about 25 new xml options (post-processing,
    run control, ...)
  - the manual is included as pdf
  - boundary treatment is done internally, no need to run trjconv
    anymore

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Mon Dec  6 08:07:04 UTC 2010 - kkaempf@novell.com

- Initial version 1.0.1
- Add tutorials as documentation to votca-csg

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Tue Nov 30 14:19:45 UTC 2010 - junghans@votca.org

- Minor clean up

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Thu Nov 25 14:18:45 UTC 2010 - jussilehtola@fedoraproject.org

- First release

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File votca-csg.changes of Package votca-csg (Revision fb9f50609fa96061df806c17351633f7)

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