Changelog for
votca-csg-bash-1.6.4-bp155.2.13.noarch.rpm :
* Tue Jan 12 2021 Christoph Junghans
- 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 - 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 - 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 - Use memoryperjob constraint instead of %limit_build macro.
* Wed Aug 19 2020 Guillaume GARDET - Increase a little bit REGRESSIONTEST_TOLERANCE to make it pass on aarch64
* Mon Jun 22 2020 Christoph Junghans - 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 - 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 - 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 - 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 - 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 - 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 - Disabled some test on i585 (comparison fixed in upstream master)
* Thu Sep 12 2019 Christoph Junghans - Disable some more test on i585
* Tue Apr 02 2019 Christoph Junghans - fix build with boost-1.69
* Thu Jan 31 2019 Christoph Junghans - 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 junghansAATTvotca.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.majerAATTsuse.de- use individual libboost-
*-devel packages instead of boost-devel
* Mon Oct 31 2016 jengelhAATTinai.de- Update descriptions.
* Sat Oct 29 2016 junghansAATTvotca.org- Upgrade to 1.4
* added cibi tutorial and manual section
* xmltopologyparser: tokenize on \
and \\t as well (#195)
* details: https://github.com/votca/csg/blob/master/CHANGELOG.md
* Tue Sep 27 2016 junghansAATTvotca.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 jengelhAATTinai.de- RPM group update
* Fri Aug 19 2016 junghansAATTvotca.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 junghansAATTvotca.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 junghansAATTvotca.org- Upgrade to 1.3_rc1
* details: https://github.com/votca/csg/blob/master/CHANGELOG.md
