Index index by Group index by Distribution index by Vendor index by creation date index by Name Mirrors Help Search

votca-csg-common-1.6.4-bp153.1.1 RPM for noarch

From OpenSuSE Leap 15.3 for noarch

Name: votca-csg-common Distribution: SUSE Linux Enterprise 15 SP3
Version: 1.6.4 Vendor: openSUSE
Release: bp153.1.1 Build date: Tue Apr 20 12:57:06 2021
Group: Productivity/Scientific/Chemistry Build host: cloud101
Size: 370216 Source RPM: votca-csg-1.6.4-bp153.1.1.src.rpm
Packager: https://bugs.opensuse.org
Url: http://www.votca.org
Summary: Architecture-independent data files for VOTCA CSG
 
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 the architecture-independent data files for VOTCA CSG.

Provides

Requires

License

Apache-2.0

Changelog

* 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

Files

/usr/share/votca
/usr/share/votca/rc
/usr/share/votca/rc/csg-completion.bash
/usr/share/votca/scripts
/usr/share/votca/scripts/inverse
/usr/share/votca/scripts/inverse/CsgFunctions.pm
/usr/share/votca/scripts/inverse/CsgSimplex.pm
/usr/share/votca/scripts/inverse/add_POT.pl
/usr/share/votca/scripts/inverse/add_pot_generic.sh
/usr/share/votca/scripts/inverse/calc_density_generic.sh
/usr/share/votca/scripts/inverse/calc_kbint.sh
/usr/share/votca/scripts/inverse/calc_pressure_gromacs.sh
/usr/share/votca/scripts/inverse/calc_pressure_lammps.sh
/usr/share/votca/scripts/inverse/calc_rdf_generic.sh
/usr/share/votca/scripts/inverse/calc_target_rdf_generic.sh
/usr/share/votca/scripts/inverse/clean_generic.sh
/usr/share/votca/scripts/inverse/cma_processor.py
/usr/share/votca/scripts/inverse/convergence_check_default.sh
/usr/share/votca/scripts/inverse/csg_table
/usr/share/votca/scripts/inverse/dist_adjust.pl
/usr/share/votca/scripts/inverse/dist_boltzmann_invert.pl
/usr/share/votca/scripts/inverse/dummy.sh
/usr/share/votca/scripts/inverse/functions_common.sh
/usr/share/votca/scripts/inverse/functions_dlpoly.sh
/usr/share/votca/scripts/inverse/functions_genericsim.sh
/usr/share/votca/scripts/inverse/functions_gromacs.sh
/usr/share/votca/scripts/inverse/imc_stat_generic.sh
/usr/share/votca/scripts/inverse/initialize_step_generic.sh
/usr/share/votca/scripts/inverse/initialize_step_genericsim.sh
/usr/share/votca/scripts/inverse/initialize_step_optimizer.sh
/usr/share/votca/scripts/inverse/initialize_step_re.sh
/usr/share/votca/scripts/inverse/inverse.sh
/usr/share/votca/scripts/inverse/kbibi_ramp_correction.pl
/usr/share/votca/scripts/inverse/lj_126.pl
/usr/share/votca/scripts/inverse/merge_tables.pl
/usr/share/votca/scripts/inverse/optimizer_parameters_to_potential.sh
/usr/share/votca/scripts/inverse/optimizer_prepare_state.sh
/usr/share/votca/scripts/inverse/optimizer_state_to_mapping.sh
/usr/share/votca/scripts/inverse/optimizer_state_to_potentials.sh
/usr/share/votca/scripts/inverse/optimizer_target_density.sh
/usr/share/votca/scripts/inverse/optimizer_target_pressure.sh
/usr/share/votca/scripts/inverse/optimizer_target_rdf.sh
/usr/share/votca/scripts/inverse/post_add.sh
/usr/share/votca/scripts/inverse/post_add_single.sh
/usr/share/votca/scripts/inverse/post_update_generic.sh
/usr/share/votca/scripts/inverse/post_update_generic_single.sh
/usr/share/votca/scripts/inverse/post_update_re_single.sh
/usr/share/votca/scripts/inverse/postadd_acc_convergence.sh
/usr/share/votca/scripts/inverse/postadd_average.sh
/usr/share/votca/scripts/inverse/postadd_compress.sh
/usr/share/votca/scripts/inverse/postadd_convergence.sh
/usr/share/votca/scripts/inverse/postadd_copyback.sh
/usr/share/votca/scripts/inverse/postadd_dummy.sh
/usr/share/votca/scripts/inverse/postadd_overwrite.sh
/usr/share/votca/scripts/inverse/postadd_plot.sh
/usr/share/votca/scripts/inverse/postadd_shift.sh
/usr/share/votca/scripts/inverse/postupd_addlj.sh
/usr/share/votca/scripts/inverse/postupd_cibi_correction.sh
/usr/share/votca/scripts/inverse/postupd_extrapolate.sh
/usr/share/votca/scripts/inverse/postupd_kbibi_correction.sh
/usr/share/votca/scripts/inverse/postupd_pressure.sh
/usr/share/votca/scripts/inverse/postupd_scale.sh
/usr/share/votca/scripts/inverse/postupd_smooth.sh
/usr/share/votca/scripts/inverse/postupd_splinesmooth.sh
/usr/share/votca/scripts/inverse/potential_extrapolate.sh
/usr/share/votca/scripts/inverse/potential_shift.pl
/usr/share/votca/scripts/inverse/potential_to_dlpoly.sh
/usr/share/votca/scripts/inverse/potential_to_generic.sh
/usr/share/votca/scripts/inverse/potential_to_gromacs.sh
/usr/share/votca/scripts/inverse/potential_to_lammps.sh
/usr/share/votca/scripts/inverse/potentials_to_dlpoly.sh
/usr/share/votca/scripts/inverse/potentials_to_generic.sh
/usr/share/votca/scripts/inverse/pre_update_re.sh
/usr/share/votca/scripts/inverse/prepare_generic.sh
/usr/share/votca/scripts/inverse/prepare_generic_single.sh
/usr/share/votca/scripts/inverse/prepare_imc.sh
/usr/share/votca/scripts/inverse/prepare_optimizer.sh
/usr/share/votca/scripts/inverse/prepare_optimizer_single.sh
/usr/share/votca/scripts/inverse/prepare_re.sh
/usr/share/votca/scripts/inverse/pressure_cor_simple.pl
/usr/share/votca/scripts/inverse/pressure_cor_wjk.pl
/usr/share/votca/scripts/inverse/resample_target.sh
/usr/share/votca/scripts/inverse/run_genericsim.sh
/usr/share/votca/scripts/inverse/run_gromacs.sh
/usr/share/votca/scripts/inverse/simplex_downhill_processor.pl
/usr/share/votca/scripts/inverse/skeleton.pl
/usr/share/votca/scripts/inverse/skeleton.sh
/usr/share/votca/scripts/inverse/start_framework.sh
/usr/share/votca/scripts/inverse/table_average.sh
/usr/share/votca/scripts/inverse/table_change_flag.sh
/usr/share/votca/scripts/inverse/table_combine.pl
/usr/share/votca/scripts/inverse/table_dummy.sh
/usr/share/votca/scripts/inverse/table_extrapolate.pl
/usr/share/votca/scripts/inverse/table_functional.sh
/usr/share/votca/scripts/inverse/table_get_value.pl
/usr/share/votca/scripts/inverse/table_integrate.pl
/usr/share/votca/scripts/inverse/table_linearop.pl
/usr/share/votca/scripts/inverse/table_scale.pl
/usr/share/votca/scripts/inverse/table_smooth.pl
/usr/share/votca/scripts/inverse/table_switch_border.pl
/usr/share/votca/scripts/inverse/table_to_tab.pl
/usr/share/votca/scripts/inverse/table_to_xvg.pl
/usr/share/votca/scripts/inverse/tables_jackknife.pl
/usr/share/votca/scripts/inverse/tag_file.sh
/usr/share/votca/scripts/inverse/update_ibi.sh
/usr/share/votca/scripts/inverse/update_ibi_pot.pl
/usr/share/votca/scripts/inverse/update_ibi_single.sh
/usr/share/votca/scripts/inverse/update_imc.sh
/usr/share/votca/scripts/inverse/update_imc_single.sh
/usr/share/votca/scripts/inverse/update_optimizer.sh
/usr/share/votca/scripts/inverse/update_optimizer_single.sh
/usr/share/votca/scripts/inverse/update_re.sh
/usr/share/votca/template
/usr/share/votca/template/CMakeLists.txt
/usr/share/votca/template/template_serial.cc
/usr/share/votca/template/template_threaded.cc
/usr/share/votca/xml
/usr/share/votca/xml/csg_defaults.xml
/usr/share/votca/xml/mapping.xml
/usr/share/votca/xml/topol.xml

Generated by rpm2html 1.8.1

Fabrice Bellet, Tue Jul 9 13:49:26 2024