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votca-csg-apps-2021.2-1.2 RPM for armv6hl

From OpenSuSE Ports Tumbleweed for armv6hl

Name: votca-csg-apps Distribution: openSUSE Tumbleweed
Version: 2021.2 Vendor: openSUSE
Release: 1.2 Build date: Sat Sep 25 02:21:23 2021
Group: Productivity/Scientific/Chemistry Build host: obs-arm-10
Size: 506656 Source RPM: votca-csg-2021.2-1.2.src.rpm
Packager: http://bugs.opensuse.org
Url: http://www.votca.org
Summary: VOTCA coarse-graining engine applications
Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is
a package to reduce the amount of routine work when doing systematic
coarse-graining of various systems. The core is written in C++.

This package contains sample applications of the VOTCA Coarse Graining Engine.
Previously packages as votca-csgapps.

Provides

Requires

License

Apache-2.0

Changelog

* Mon Sep 20 2021 Christoph Junghans <junghans@votca.org>
  - Update to 2021.2
    - made masses in test more accurate ([gh#votca/csgp#705])
    - format code with clang-12.0.1 ([gh#votca/csgp#707])
* Sun Jul 18 2021 Christoph Junghans <junghans@votca.org>
  - Update to 2021.1
    - format code with clang-12 and drop gmx2020 builds
      ([gh#votca/csg#691])
    - fix pos scaling (ang2nm) in lammps data reader
      ([gh#votca/csg#697])
* Sat Mar 13 2021 Christoph Junghans <junghans@votca.org>
  - Update to 2021
    - fix CI on rawhide ([gh#votca/csg#642])
    - add auto-cancel workflow to GitHub Actions
      ([gh#votca/csg#645])
    - namespace bind2nd to fix build on FreeBSD ([gh#votca/csg#668])
    - replace std::bind2nd by a lambda ([gh#votca/csg#673])
* Wed Jan 13 2021 Christoph Junghans <junghans@votca.org>
  - votca-csgapps package is now part of votca-csg
  - votca-csg-doc is obsolete, no more pdf manual
  - Update to 2021~rc1
    - remove topology item ([gh#votca/csg#486])
    - switch to local includes ([gh#votca/csg#487])
    - add default units to readers ([gh#votca/csg#483])
    - update bead related classes ([gh#votca/csg#475],
      [gh#votca/csg#474], [gh#votca/csg#469], [gh#votca/csg#468],
      [gh#votca/csg#460])
    - update boundary class ([gh#votca/csg#457])
    - fix usage of PROJECT_SOURCE_DIR in cmake ([gh#votca/csg#517])
    - document cmake options and packages ([gh#votca/csg#520])
    - drop WITH_GMX in cmake in favor of auto-detect
      ([gh#votca/csg#523])
    - standardising include order and style in header files
      ([gh#votca/csg#531])
    - make scripts always executable in builddir
      ([gh#votca/csg#533], [gh#votca/csg#550], [gh#votca/csg#556])
    - rename REGRESSIONTEST_TOLERANCE to INTEGRATIONTEST_TOLERANCE
      ([gh#votca/csg#534])
    - standardising include order and style in library files
      ([gh#votca/csg#542])
    - move CI to GitHub Ations ([gh#votca/csg#551],
      [gh#votca/csg#552], [gh#votca/csg#553], [gh#votca/csg#561],
      [gh#votca/csg#562], [gh#votca/csg#593], [gh#votca/csg#617],
      [gh#votca/csg#632])
    - format CMake internal cpp code ([gh#votca/csg#557])
    - update codacy badge ([gh#votca/csg#558])
    - convert markdown to rst format ([gh#votca/csg#559])
    - read units stored in H5MD file ([gh#votca/csg#549])
    - enable CXX only in CMake ([gh#votca/csg#560])
    - refactored tests to use files instead of data in source code
      ([gh#votca/csg#572])
    - corrected max index in csg_resample ([gh#votca/csg#575])
    - add periodic extrapolation for dihedrals ([gh#votca/csg#576])
    - bump required CMake version to 3.12 ([gh#votca/csg#599])
    - Fixed boost test deprecation warnings ([gh#votca/csg#598])
    - improve error message for broken binaries ([gh#votca/csg#601])
    - Fixed memory leaks in tests and neighbourlist
      ([gh#votca/csg#602])
    - format with clang-11 ([gh#votca/csg#604])
    - use unique_ptr in factory ([gh#votca/csg#603])
    - Convert remaining md files to rst ([gh#votca/csg#616])
    - merge csg-manual ([gh#votca/csg#621], [gh#votca/csg#622])
    - merge in csgapps repo ([gh#votca/csg#623])
    - Pdbs with more than 10000 resids can now be written
      ([gh#votca/csg#627])
* Tue Jan 12 2021 Christoph Junghans <junghans@votca.org>
  - Update to 1.6.4
    - fix exclusion creation in csg_boltzmann ([gh#votca/csg#624],
      [gh#votca/csg#625])
* Wed Dec 09 2020 Christoph Junghans <junghans@votca.org>
  - Update to 1.6.3
    - fix test dependencies for parallel ctest ([gh#votca/csg#585])
    - fix trigger for gmx-2020 warning in run_gromacs.sh
      ([gh#votca/csg#591])
    - switch to ghcr.io for CI ([gh#votca/csg#595])
    - format code with clang-11 ([gh#votca/csg#605])
    - add gmx2021 builds to CI ([gh#votca/csg#607])
    - remove set-env call from CI ([gh#votca/csg#608])
    - use master .clang-format in format action ([gh#votca/csg#610])
    - strip windows line endings in readers ([gh#votca/csg#614])
* Sat Aug 22 2020 Christoph Junghans <junghans@votca.org>
  - Update to 1.6.2
    - move CI to GitHub Actions ([gh#votca/csg#563],
      [gh#votca/csg#567], [gh#votca/csg#569])
    - add max scaling parameter to pressure correction
      ([gh#votca/csg#565])
    - fix test dependencies for parallel ctest ([gh#votca/csg#573])
    - fix multicomponent imc ([gh#votca/csg#579],
      [gh#votca/csg#581])
* Thu Aug 20 2020 Martin Liška <mliska@suse.cz>
  - Use memoryperjob constraint instead of %limit_build macro.
* Wed Aug 19 2020 Guillaume GARDET <guillaume.gardet@opensuse.org>
  - Increase a little bit REGRESSIONTEST_TOLERANCE to make it pass
    on aarch64
* Mon Jun 22 2020 Christoph Junghans <junghans@votca.org>
  - Update to 1.6.1
    - add support for cma-3 ([gh#votca/csg#158])
    - allow special characters in build directory
      ([gh#votca/csg#521])
    - fix CI on Ubuntu-20.04 ([gh#votca/csg#526])
    - drop support for gmx 2016 ([gh#votca/csg#529],
      [gh#votca/csg#547])
    - fix csg_reupdate and add tests ([gh#votca/csg#525])
    - fix detection of lmp and gmx in cmake ([gh#votca/csg#540])
    - add test for lammpsdata reader ([gh#votca/csg#544])
* Thu Jun 11 2020 Dominique Leuenberger <dimstar@opensuse.org>
  - Move the miscellaneous manpages from the library package to the
    main package. SLPP disallows non-versioned files in the
    shared-library package as it makes them non-parallel installable
    to newer versions. Additionally, the man page does not provide
    information of pure library users (it's a list of what tools form
    the csg tools).
  - have the main package conflict with the old library package
    (libvotca_csg5) that contained the man page.
* Sat Apr 18 2020 Christoph Junghans <junghans@votca.org>
  - Update to 1.6
    - enforce periodic boundaries for dihedrals ([gh#votca/csg#500])
    - add warning about dihedrals ([gh#votca/csg#500])
    - fix typo in option in potential_extrapolate
      ([gh#votca/csg#502])
    - update gmx tab. potential warning ([gh#votca/csg#504])
    - fix exit code with clean for potential_to_lammps.sh
      ([gh#votca/csg#506])
    - remove obsolete link to MKL from cmake ([gh#votca/csg#508])
    - fix build with Gromacs 2021 ([gh#votca/csg#510],
      [gh#votca/csg#511])
    - warn about too long interaction in csg_stat
      ([gh#votca/csg#512])
    - fix testing in postadd_plot.sh ([gh#votca/csg#515])
* Mon Feb 10 2020 Christoph Junghans <junghans@votca.org>
  - Update to 1.6_rc2
    - fix inheritance bug in cmake files ([gh#votca/csg#466])
    - fix build on 32-bit archs ([gh#votca/csg#473])
    - fixed alignment problem in potential class
      ([gh#votca/csg#471])
    - fix h5md reader ([gh#votca/csg#478], [gh#votca/csg#481])
    - added more tests for gmx ([gh#votca/csg#489]) and gmx-2020
      support ([gh#votca/csg#488])
    - add support for txt2tags-3.4 ([gh#votca/csg#491])
    - fix cma seed for testing ([gh#votca/csg#494])
    - remove old doxygen target ([gh#votca/csg#498])
* Thu Dec 05 2019 Christoph Junghans <junghans@votca.org>
  - Update to 1.6_rc1
    * Major CMake refactor
    * Improved file readers
    * Added more tests
    * Added csg_imc_solve, removing octave and python solvers
* Thu Nov 21 2019 Christoph Junghans <junghans@votca.org>
  - Upgrade to 1.5.1
    * bug fixes for gcc-5
    * some bugfixes for the lammps reader
    * support dynamics box size in h5md
    * fix build on CentOs7
* Thu Oct 03 2019 Christoph Junghans <junghans@votca.org>
  - Disabled some test on i585 (comparison fixed in upstream master)
* Thu Sep 12 2019 Christoph Junghans <junghans@votca.org>
  - Disable some more test on i585
* Tue Apr 02 2019 Christoph Junghans <junghans@votca.org>
  - fix build with boost-1.69
* Thu Jan 31 2019 Christoph Junghans <junghans@votca.org>
  - Upgrade to 1.5
    * cmake: only run csg_dump test if bash was found
    * added REGRESSIONTEST_TOLERANCE cmake option
    * added bug fix for memory leak in bead class
    * added topology unit test
    * added support for 3 body distribution
    * allow usage of _ in gmx options
    * support espresso-4.0
    * added LAMMPS data topology reader
    * added LAMMPS dump writer
    * added support for gmx-2019
    * move from gsl to Eigen3
    * added support for running gmx in multidir mode
    * extended pdb reader to read CONECT section
    * reworked perl interface to fix #179
    * make most install locations configureable
    * allow to change pot extrapolation fct for LAMMPS
    * dropped support for gmx-5.1
    * added unit and regression tests
    * details: https://github.com/votca/csg/blob/master/CHANGELOG.md
* Sun Sep 03 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
* Thu Feb 02 2017 adam.majer@suse.de
  - use individual libboost-*-devel packages instead of boost-devel
* Mon Oct 31 2016 jengelh@inai.de
  - Update descriptions.
* Sat Oct 29 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
* Tue Sep 27 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
* Sun Aug 21 2016 jengelh@inai.de
  - RPM group update
* Fri Aug 19 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
* Fri Jan 15 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
* Thu Oct 08 2015 junghans@votca.org
  - Upgrade to 1.3_rc1
    * details: https://github.com/votca/csg/blob/master/CHANGELOG.md
* Mon Sep 08 2014 junghans@votca.org
  - depend on gromacs-devel instead for pkgconfig(libgmx) as
    gromacs-5.0 comes with libgromacs instead of libgmx
* Fri Sep 05 2014 junghans@votca.org
  - Update to 1.2.4
    - support for Gromacs 5.0
* Fri Dec 06 2013 junghans@votca.org
  - clean up for inclusion in OpenSuse:Factory
* Thu Oct 31 2013 junghans@votca.org
  - Upgrade to 1.2.3
* Sun Aug 28 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)
* Thu Mar 03 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
* Mon Dec 06 2010 kkaempf@novell.com
  - Initial version 1.0.1
  - Add tutorials as documentation to votca-csg
* Tue Nov 30 2010 junghans@votca.org
  - Minor clean up
* Thu Nov 25 2010 jussilehtola@fedoraproject.org
  - First release

Files

/usr/bin/csg_fluctuations
/usr/bin/csg_orientcorr
/usr/bin/csg_part_dist
/usr/bin/csg_partial_rdf
/usr/bin/csg_radii
/usr/bin/csg_sphericalorder
/usr/bin/csg_traj_force


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Fabrice Bellet, Fri Nov 19 23:23:55 2021