Sun, 28 Nov 2021 02:16:34 UTC

Information for build gromacs-4.5.5-1.el6

ID266255
Package Namegromacs
Version4.5.5
Release1.el6
Epoch
SummaryFast, Free and Flexible Molecular Dynamics
DescriptionGROMACS is a versatile and extremely well optimized package to perform molecular dynamics computer simulations and subsequent trajectory analysis. It is developed for biomolecules like proteins, but the extremely high performance means it is used also in several other field like polymer chemistry and solid state physics. This package provides single and double precision binaries. The documentation is in the package gromacs-common. mdrun has been compiled with thread parallellization, so it runs in parallel on shared memory systems. If you want to run on a cluster, you probably want to install one of the MPI parallellized packages. N.B. All binaries have names starting with g_, for example mdrun has been renamed to g_mdrun.
Built byjussilehtola
State complete
Volume DEFAULT
StartedFri, 30 Sep 2011 19:50:32 UTC
CompletedFri, 30 Sep 2011 20:05:11 UTC
Taskbuild (el6-candidate, /gromacs:ffdf7b6e366df3800fdb1c8fbff14a1a40438f14)
Tags
dist-6E-epel
RPMs
src
gromacs-4.5.5-1.el6.src.rpm (info) (download)
i686
gromacs-4.5.5-1.el6.i686.rpm (info) (download)
gromacs-devel-4.5.5-1.el6.i686.rpm (info) (download)
gromacs-libs-4.5.5-1.el6.i686.rpm (info) (download)
gromacs-openmpi-4.5.5-1.el6.i686.rpm (info) (download)
gromacs-openmpi-devel-4.5.5-1.el6.i686.rpm (info) (download)
gromacs-openmpi-libs-4.5.5-1.el6.i686.rpm (info) (download)
gromacs-debuginfo-4.5.5-1.el6.i686.rpm (info) (download)
noarch
gromacs-bash-4.5.5-1.el6.noarch.rpm (info) (download)
gromacs-common-4.5.5-1.el6.noarch.rpm (info) (download)
gromacs-csh-4.5.5-1.el6.noarch.rpm (info) (download)
gromacs-tutor-4.5.5-1.el6.noarch.rpm (info) (download)
gromacs-zsh-4.5.5-1.el6.noarch.rpm (info) (download)
ppc64
gromacs-4.5.5-1.el6.ppc64.rpm (info) (download)
gromacs-devel-4.5.5-1.el6.ppc64.rpm (info) (download)
gromacs-libs-4.5.5-1.el6.ppc64.rpm (info) (download)
gromacs-openmpi-4.5.5-1.el6.ppc64.rpm (info) (download)
gromacs-openmpi-devel-4.5.5-1.el6.ppc64.rpm (info) (download)
gromacs-openmpi-libs-4.5.5-1.el6.ppc64.rpm (info) (download)
gromacs-debuginfo-4.5.5-1.el6.ppc64.rpm (info) (download)
x86_64
gromacs-4.5.5-1.el6.x86_64.rpm (info) (download)
gromacs-devel-4.5.5-1.el6.x86_64.rpm (info) (download)
gromacs-libs-4.5.5-1.el6.x86_64.rpm (info) (download)
gromacs-openmpi-4.5.5-1.el6.x86_64.rpm (info) (download)
gromacs-openmpi-devel-4.5.5-1.el6.x86_64.rpm (info) (download)
gromacs-openmpi-libs-4.5.5-1.el6.x86_64.rpm (info) (download)
gromacs-debuginfo-4.5.5-1.el6.x86_64.rpm (info) (download)
Logs
i686
build.log
root.log
state.log
ppc64
build.log
root.log
state.log
x86_64
build.log
root.log
state.log
Changelog * Fri Sep 30 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.5-1 - Update to 4.5.5. * Sat Sep 17 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.4-3 - Build in EL6. - Drop MPICH2 since it is not available on ppc64. * Wed Mar 30 2011 Deji Akingunola <dakingun@gmail.com> - 4.5.4-2 - Rebuild for mpich2 soname bump * Wed Mar 23 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.4-1 - Update to 4.5.4. * Sun Feb 13 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.3-4 - Get rid of executable stacks. * Mon Feb 07 2011 Dan HorĂ¡k <dan[at]danny.cz> - 4.5.3-3 - conditionalize OpenMPI support - fix build on 64-bit platforms * Mon Dec 20 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.3-2 - Fix rest of BZ #649338. * Thu Nov 18 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.3-1 - Update to 4.5.3. * Fri Nov 05 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.2-3 - Rebuild due to libxml2 soname bump. * Wed Nov 03 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.2-2 - Make gromacs package obsolete older versions of gromacs package due to the branching of libraries. * Mon Nov 01 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.2-1 - Update to 4.5.2. * Wed Oct 27 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.1-2 - Patch around #644950. - Split libraries in own packages to avoid multilib problems. * Sat Oct 09 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.1-1 - Update to 4.5.1. * Sun Dec 06 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.0.7-1 - Update to 4.0.7. * Sun Dec 06 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.0.6-1 - Update to 4.0.6. * Fri Dec 04 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.0.5-6 - Fix file conflict. * Tue Dec 01 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.0.5-5 - Put correct MPI devel package requires in place. * Tue Dec 01 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.0.5-4 - Fix obsoletes. * Mon Nov 30 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.0.5-3 - Combine libs with binaries and drop debug packages to avoid explosion of number of packages. - Adopt use of MPI guidelines. * Fri Jul 24 2009 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 4.0.5-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_12_Mass_Rebuild * Fri May 22 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.5-1 - Update to 4.0.5. - Change spec %defines to %globals. - Add debug subpackages to make debugging of GROMACS possible. * Tue Feb 17 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.4-1 - Update to 4.0.4. * Mon Jan 19 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.3-4 - Retry fixing gmxdemo. * Mon Jan 19 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.3-3 - Fixed gmxdemo. * Mon Jan 19 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.3-2 - Fix EPEL 4 build. * Mon Jan 19 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.3-1 - Update to 4.0.3. * Wed Jan 14 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.2-7 - Update manual to latest version. - Removed Requires: blas and lapack. * Mon Nov 10 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.2-6 - Update to 4.0.2. * Sun Nov 09 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.1-5 - Add Requires: blas too. * Sun Nov 09 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.1-4 - Update to 4.0.1. - Add Requires: lapack and openmpi to prevent yum from pulling atlas and lam instead. * Wed Oct 15 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-3 - Rename also man pages. * Mon Oct 13 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-2 - Added noreplace to bash completion file. - Changed double precision mpi binary suffix to _mpi_d. * Sun Oct 12 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-1 - Update to Gromacs 4.0. - Remove module system and patch file names to begin with g_. * Wed Oct 08 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.15.rc3 - Changed location of binaries. - Removed conflict of module file, as the program is binary compatible with older versions. * Wed Oct 08 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.14.rc3 - The gromacs module is loaded automatically and it conflicts with gromacs3. * Tue Oct 07 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.13.rc3 - Renamed module files from %{name}-%{version} to %{name}. * Mon Oct 06 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.12.rc3 - Fix BR to get GROMACS to build in mock for epel-4. * Sat Oct 04 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.11.rc3 - Fix to get GROMACS to build in mock for epel-5. * Sat Oct 04 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.10.rc3 - Implement module system & remove binary renaming. - No need for autoreconf anymore. - Update to rc3. * Sat Oct 04 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.9.rc2 - Fall back to autoreconf due to binary renaming. * Fri Oct 03 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.8.rc2 - Modified install commands to preserve timestamps. * Fri Oct 03 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.7.rc2 - Even more review fixes. - Binaries renamed: highway -> g_highway luck -> g_luck sigeps -> g_sigeps wheel -> g_wheel * Thu Oct 02 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.6.rc2 - Final review fixes. * Wed Oct 01 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.5.rc2 - Strip down requires by branching tutor to its own package. * Tue Sep 30 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.4.rc2 - Extensive package review fixes. - Unclear licenses on some files, filed upstream bug 217. http://bugzilla.gromacs.org/show_bug.cgi?id=217 * Mon Sep 29 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.3.rc2 - Move .so files to -devel package. - Remove .la files. * Mon Sep 29 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.2.rc2 - Implement out-of-tree-builds. - Add --noexecstack to CFLAGS. - Remove execstack procedure and prelink from buildreqs. - Filed upstream bug 215 to add .note.GNU-stack . - Fix incorrect file permission on src/tools/gmx_xpm2ps.c . * Mon Sep 29 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.1.rc2 - Alphabetized buildrequires. - Changed gromacs-share to gromacs-common. * Fri Sep 26 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.0.rc2 - Initial build.