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Lehtola - 4.0-0.11.rc3Jussi Lehtola - 4.0-0.10.rc3Jussi Lehtola - 4.0-0.9.rc2Jussi Lehtola - 4.0-0.8.rc2Jussi Lehtola - 4.0-0.7.rc2Jussi Lehtola - 4.0-0.6.rc2Jussi Lehtola - 4.0-0.5.rc2Jussi Lehtola - 4.0-0.4.rc2Jussi Lehtola - 4.0-0.3.rc2Jussi Lehtola - 4.0-0.2.rc2Jussi Lehtola - 4.0-0.1.rc2Jussi Lehtola - 4.0-0.0.rc2- Rebuild for hwloc 2 (RHEL 8.4)- Version bump to 2019.6- fix build with gcc10- Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild- Rebuild for koji- Version bump to 2019.5 (bug #1786201)- Version bump to 2019.4 (bug #1757694) - drop cmake-3.11.4.patch to merged upstream- Rebuilt for hwloc-2.0- Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild- Version bump to 2019.3 (bug #1720697)- Version bump to 2019.2 (bug #1677678)- Version bump to 2019.1 (bug #1677678)- Rebuild for openmpi 3.1.3- Version bump to 2018.5- Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild- Version bump to 2018.4 - Re-added gromacs-issue-2366.patch for f28 and lower- Enable OpenCL for some archs on epel7 - Drop gromacs-issue-2366.patch (bug #1558206) - seems to be fixed- Version bump to 2018.3 - Major spec files clean up- Version bump to 2018.2 (bug #1591052) - Add support for lmfit-7 (patch will be part of v2019) - Switch to OpenBlas (bug #1602822) - Disable brittle regressiontests- Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild- Bump to version 2018.1 (bug #1559202)- add gcc-c++ as BuildRequires - use bundled tinyml2 to build tests, system one is too new- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild- Update to 2018 - Drop 43a0002.diff, merged upstream- Update to 2018-rc1 for testing - Update b7713bf.diff to 43a0002.diff- Update to 2018-beta3 for testing - Disable HardwareTopologyTest.NumaCacheSelfconsistency test on aarch64 - Run regressiontests for serial build (don't work for mpi build) - Clean up - Drop execstack as everything is intristic now - No la .files anymore, so drop find -delete - OpenMPI was ported to s390, so enable it everywhere- Update to 2016.4- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild- Update to 2016.3- Update to 2016.2 - Drop boost dependency, not uses anymore - Drop gromacs-tng.patch, made it upstream- Rebuilt for Boost 1.63- fixed wording description - drop dangerous GMXRC* - not needed when installed in /usr would prepent /usr/lib in LD_LIBRARY_PATH -drop otherwise empty zsh/csh package as actual completion is done in 2016 nothing left in package after removing GMXRC.* - fix location of bash-completion - added GMX_USE_RDTSCP=OFF for docker, which has not support of rdtscp yet- Update to 2016.1 - Drop gromacs-use-system-lmfit.patch, made it upstream - Update gromacs-tng.patch, https://gerrit.gromacs.org/#/c/6319/- Rebuild for openmpi 2.0- update to 2016 release - drop upstreamed patches - fix build with system lmfit - fix build with bundled tng removed - drop pocl from BuildRequires, it's not required to build - enable OpenCL on all arches (except ppc64le, where it's still failing)- unbundle tinyxml2- update from git master - enable OpenCL on armv7hl and BR: pocl >= 0.13-4 (#1324438) - drop libxml2 BR (upstream switched to bundled tinyxml2-3.0.0) - add missing arches in arch-dependent sections- re-enable OpenCL (pocl was fixed recently)- update to git master branch - drop obsolete patches - enable NEON instructions on armv7hnl arch - drop condition around execstack usage, it's available everywhere now- update to git master branch - disable OpenCL for now (due to pocl FTBFS #1307869) - use BOOL with all boolean cmake options - enable hwloc support - don't install OpenCL kernels by default (but recommend them) - unbundle lmfit (F24+), tng - don't build shared libs for MPI builds - drop -libs and -devel MPI subpackages - disable failing tests on arm and i686- Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild- update to 5.1.1- don't remove -DNDEBUG from CFLAGS (makes HandlesPermuteModifier test fail randomly) - convert shell variables to rpm macros - enable OpenCL support (x86 and single precision only)- disable HandlesPermuteModifier test which fails randomly on i686- Rebuild for openmpi 1.10.0- Rebuilt for Boost 1.59- enable NEON SIMD on aarch64 - fix compilation of VSX code with double precision on ppc64le - enable VSX on ppc64le only - don't manually output testuite logs upon failure, ctest does that already- update to 5.1 - drop ancient Obsoletes:/Provides: - drop Group: tags - build mdrun-only MPI binaries again - simplify SIMD enablement handling - enable SIMD on ppc64(le) - no execstack on ppc64 or s390(x), either - output testsuite logs upon failure- Rebuild for MPI provides- Rebuild for RPM MPI Requires Provides Change- fix up dependencies between subpackages- Rebuilt for Boost 1.58- Rebuilt for https://fedoraproject.org/wiki/Changes/F23Boost159- update to 5.0.6- rebuild for Boost 1.58- Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild- obsolete old -common subpackage in -doc so that users don't lose the manual- update to 5.0.5 - fix path to packaged dssp - drop upstreamed patch - move the large manual into a separate -doc subpackage- update to 5.0.4 - switch Motif library to original Motif (as it's in Fedora since long) - link against new-style atlas library (atlas 3.10.1+) - BR: boost-devel - csh/zsh completion removed upstream - move bash completion into main package - separate ngmx and mdrun dropped upstream - enable testsuite - factorize a lot of build logic - drop redundant comments - skip double precision tests on i686 (http://redmine.gromacs.org/issues/1716)- rebuilt for changed mpich libraries- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild- Fix builds on aarch64/ppc64le - Modernise spec - Remove ancient obsoletes- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild- Rebuild for mpich-3.1- Update to 4.6.5.- Update to 4.6.4.- Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild- Rename mpich2 sub-packages to mpich and rebuild for mpich-3.0- Update to 4.6.3.- Update to 4.6.2.- Update to 4.6.1.- Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild- Update to stable 4.6 release.- fix build on non-x86 arches- Update to 4.6 beta 3.- Bump due to MPICH2 update.- Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild- Rebuilt for https://fedoraproject.org/wiki/Fedora_17_Mass_Rebuild- Update to 4.5.5.- Rebuild for mpich2 soname bump- Update to 4.5.4.- Get rid of executable stacks.- conditionalize OpenMPI support - fix build on 64-bit platforms- Fix rest of BZ #649338.- Update to 4.5.3.- Rebuild due to libxml2 soname bump.- Make gromacs package obsolete older versions of gromacs package due to the branching of libraries.- Update to 4.5.2.- Patch around #644950. - Split libraries in own packages to avoid multilib problems.- Update to 4.5.1.- Update to 4.0.7.- Update to 4.0.6.- Fix file conflict.- Put correct MPI devel package requires in place.- Fix obsoletes.- Combine libs with binaries and drop debug packages to avoid explosion of number of packages. - Adopt use of MPI guidelines.- Rebuilt for https://fedoraproject.org/wiki/Fedora_12_Mass_Rebuild- Update to 4.0.5. - Change spec %defines to %globals. - Add debug subpackages to make debugging of GROMACS possible.- Update to 4.0.4.- Retry fixing gmxdemo.- Fixed gmxdemo.- Fix EPEL 4 build.- Update to 4.0.3.- Update manual to latest version. - Removed Requires: blas and lapack.- Update to 4.0.2.- Add Requires: blas too.- Update to 4.0.1. - Add Requires: lapack and openmpi to prevent yum from pulling atlas and lam instead.- Rename also man pages.- Added noreplace to bash completion file. - Changed double precision mpi binary suffix to _mpi_d.- Update to Gromacs 4.0. - Remove module system and patch file names to begin with g_.- Changed location of binaries. - Removed conflict of module file, as 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