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Name: votca-csg | Distribution: openSUSE Leap 15.2 |
Version: 1.4.1 | Vendor: openSUSE |
Release: lp152.3.3 | Build date: Thu Feb 6 02:15:23 2020 |
Group: Productivity/Scientific/Chemistry | Build host: armbuild14 |
Size: 1186030 | Source RPM: votca-csg-1.4.1-lp152.3.3.src.rpm |
Packager: https://bugs.opensuse.org | |
Url: http://www.votca.org | |
Summary: VOTCA coarse-graining engine |
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 Coarse Graining Engine of VOTCA.
Apache-2.0
* 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
/usr/bin/csg_boltzmann /usr/bin/csg_call /usr/bin/csg_density /usr/bin/csg_dlptopol /usr/bin/csg_dump /usr/bin/csg_fmatch /usr/bin/csg_gmxtopol /usr/bin/csg_imcrepack /usr/bin/csg_inverse /usr/bin/csg_map /usr/bin/csg_property /usr/bin/csg_resample /usr/bin/csg_reupdate /usr/bin/csg_stat /usr/share/doc/packages/votca-csg /usr/share/doc/packages/votca-csg/CHANGELOG.md /usr/share/doc/packages/votca-csg/LICENSE /usr/share/doc/packages/votca-csg/NOTICE /usr/share/doc/packages/votca-csg/README.md /usr/share/man/man1/csg_boltzmann.1.gz /usr/share/man/man1/csg_call.1.gz /usr/share/man/man1/csg_density.1.gz /usr/share/man/man1/csg_dlptopol.1.gz /usr/share/man/man1/csg_dump.1.gz /usr/share/man/man1/csg_fmatch.1.gz /usr/share/man/man1/csg_gmxtopol.1.gz /usr/share/man/man1/csg_imcrepack.1.gz /usr/share/man/man1/csg_inverse.1.gz /usr/share/man/man1/csg_map.1.gz /usr/share/man/man1/csg_property.1.gz /usr/share/man/man1/csg_resample.1.gz /usr/share/man/man1/csg_reupdate.1.gz /usr/share/man/man1/csg_stat.1.gz
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Fabrice Bellet, Tue Jul 9 12:19:47 2024