%ifnarch s390 s390x %global with_openmpi 1 %else %global with_openmpi 0 %endif Name: gromacs Version: 4.5.5 Release: 1%{?dist} Summary: Fast, Free and Flexible Molecular Dynamics Group: Applications/Engineering License: GPLv2+ URL: http://www.gromacs.org BuildRoot: %{_tmppath}/%{name}-%{version}-%{release}-root-%(%{__id_u} -n) Source0: ftp://ftp.gromacs.org/pub/gromacs/gromacs-%{version}.tar.gz # File gotten from # http://www.gromacs.org/@api/deki/files/152/=manual-4.5.4.pdf Source1: manual-4.5.4.pdf Source2: gromacs-template-makefile-single Source3: gromacs-template-makefile-double Source4: gromacs-template-makefile-mpi-single Source5: gromacs-template-makefile-mpi-double Source6: gromacs-README.fedora # Add shebangs to scripts Patch0: gromacs-GMXRC.patch # Patch gmxdemo for new filenames Patch1: gromacs-gmxdemo.patch BuildRequires: cmake BuildRequires: atlas-devel BuildRequires: fftw-devel BuildRequires: gsl-devel BuildRequires: libxml2-devel BuildRequires: libX11-devel # To get rid of executable stacks BuildRequires: prelink Requires: gromacs-common = %{version}-%{release} # Libs were branched from gromacs, so there are 64-bit installs that have 32-bit packages installed Obsoletes: gromacs < 4.5.2-1 %description GROMACS 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. %package common Summary: GROMACS shared data and documentation Group: Applications/Engineering BuildArch: noarch # Due to switch to noarch package Obsoletes: gromacs-common < 4.0.7-1 %description common GROMACS 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 includes architecture independent data and documentation. %package devel Summary: GROMACS header files and development libraries Group: Applications/Engineering Requires: gromacs = %{version}-%{release} %description devel GROMACS 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 contains header files and development libraries for the GROMACS molecular dynamics software. You need it if you want to write your own analysis programs. %package libs Summary: GROMACS shared libraries Group: System Environment/Libraries %description libs GROMACS 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 contains libraries needed for operation of GROMACS. %if %{with_openmpi} %package openmpi Summary: GROMACS Open MPI binaries and libraries Group: Applications/Engineering Obsoletes: gromacs-mpi < %{version}-%{release} Requires: gromacs-common = %{version}-%{release} BuildRequires: openmpi-devel Requires: openmpi # Libs were branched from gromacs, so there are 64-bit installs that have 32-bit packages installed Obsoletes: gromacs-openmpi < 4.5.3-2 %description openmpi GROMACS 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. mdrun has been compiled with thread parallellization (for running on a single node) and with Open MPI (for running on multiple nodes). This package single and double precision binaries and libraries. %package openmpi-libs Summary: GROMACS Open MPI shared libraries Group: System Environment/Libraries Obsoletes: gromacs-mpi-libs < %{version}-%{release} Requires: openmpi %description openmpi-libs GROMACS 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 contains libraries needed for operation of GROMACS Open MPI. %package openmpi-devel Summary: GROMACS Open MPI development libraries Group: Applications/Engineering Obsoletes: gromacs-mpi-devel < %{version}-%{release} Requires: gromacs-devel = %{version}-%{release} Requires: gromacs-openmpi = %{version}-%{release} Requires: openmpi-devel %description openmpi-devel GROMACS 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 contains development libraries for GROMACS Open MPI. You may need it if you want to write your own analysis programs. %endif %package mpich2 Summary: GROMACS MPICH2 binaries and libraries Group: Applications/Engineering Requires: gromacs-common = %{version}-%{release} Requires: mpich2 # Libs were branched from gromacs, so there are 64-bit installs that have 32-bit packages installed Obsoletes: gromacs-mpich2 < 4.5.3-2 %description mpich2 GROMACS 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. mdrun has been compiled with thread parallellization (for running on a single node) and with MPICH2 (for running on multiple nodes). This package single and double precision binaries and libraries. %package mpich2-libs Summary: GROMACS MPICH2 shared libraries Group: System Environment/Libraries Requires: mpich2 %description mpich2-libs GROMACS 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 contains libraries needed for operation of GROMACS MPICH2. %package mpich2-devel Summary: GROMACS MPICH2 development libraries Group: Applications/Engineering Requires: gromacs-devel = %{version}-%{release} Requires: gromacs-mpich2 = %{version}-%{release} BuildRequires: mpich2-devel Requires: mpich2-devel %description mpich2-devel GROMACS 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 contains development libraries for GROMACS MPICH2. You may need it if you want to write your own analysis programs. %package bash Summary: GROMACS bash completion Group: Applications/Engineering Requires: bash-completion BuildArch: noarch # Due to switch to noarch package Obsoletes: gromacs-bash < 4.0.7-1 %description bash GROMACS 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 bash completion for GROMACS. %package zsh Summary: GROMACS zsh support Group: Applications/Engineering Requires: zsh BuildArch: noarch # Due to switch to noarch package Obsoletes: gromacs-zsh < 4.0.7-1 %description zsh GROMACS 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 scripts needed to run GROMACS with zsh and zsh completion. %package csh Summary: GROMACS csh support Group: Applications/Engineering Requires: csh BuildArch: noarch # Due to switch to noarch package Obsoletes: gromacs-csh < 4.0.7-1 %description csh GROMACS 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 scripts needed to run GROMACS with csh and a completion script. %package tutor Summary: GROMACS tutorial files Group: Applications/Engineering Requires: gromacs-common = %{version}-%{release} BuildArch: noarch # Due to switch to noarch package Obsoletes: gromacs-tutor < 4.0.7-1 %description tutor GROMACS 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 tutorials for the use of GROMACS. %prep %setup -q %patch0 -p1 -b .gmxrc %patch1 -p1 -b .gmxdemo # Fix incorrect permission #chmod a-x src/tools/gmx_xpm2ps.c %build # First, override bug in MPICH2 packaging. %{_mpich2_unload} # Assembly kernels haven't got .note.GNU-stack sections # because of incompatibilies with Microsoft Assembler. # Add noexecstack to compiler flags export CFLAGS="%optflags -Wa,--noexecstack -fPIC" export LIBS="-L%{_libdir}/atlas -lblas -llapack" # Default options, used for all compilations export DEFOPTS="-D BUILD_SHARED_LIBS=ON -DCMAKE_SKIP_RPATH:BOOL=ON -DCMAKE_SKIP_BUILD_RPATH:BOOL=ON -DGMXLIB=%{_lib}" export SINGLE="-D GMX_DOUBLE=OFF" # Single precision export DOUBLE="-D GMX_DOUBLE=ON" # Double precision export MPI="-D GMX_MPI=ON" # Add this to the configure options if you want to build a debug version export NOASM="-D GMX_ACCELERATION=OFF" # Single precision mkdir single cd single %cmake $DEFOPTS $SINGLE .. make VERBOSE=1 %{?_smp_mflags} cd .. # Double precision mkdir double cd double %cmake $DEFOPTS $DOUBLE .. make VERBOSE=1 %{?_smp_mflags} cd .. ### MPI versions export CC=mpicc export CXX=mpicxx export F77=mpif77 export F90=mpif90 export FC=mpif90 ## Open MPI %if %{with_openmpi} %{_openmpi_load} # Suffix to be used for single precision is SUFFIXCONF="-D GMX_DEFAULT_SUFFIX=OFF -D GMX_BINARY_SUFFIX=$SUFFIX -D GMX_LIBS_SUFFIX=${MPI_SUFFIX}" # single precision mkdir openmpi-single cd openmpi-single %cmake $DEFOPTS $SINGLE $MPI $SUFFIXCONF .. make VERBOSE=1 %{?_smp_mflags} mdrun cd .. # double precision # Suffix to be used for double precision is SUFFIXCONF="-D GMX_DEFAULT_SUFFIX=OFF -D GMX_BINARY_SUFFIX=$SUFFIX -D GMX_LIBS_SUFFIX=${MPI_SUFFIX}_d" mkdir openmpi-double cd openmpi-double %cmake $DEFOPTS $DOUBLE $MPI $SUFFIXCONF .. make VERBOSE=1 %{?_smp_mflags} mdrun cd .. # unload %{_openmpi_unload} %endif ## MPICH2 %{_mpich2_load} # Suffix to be used for single precision is SUFFIXCONF="-D GMX_DEFAULT_SUFFIX=OFF -D GMX_BINARY_SUFFIX=$SUFFIX -D GMX_LIBS_SUFFIX=${MPI_SUFFIX}" # MPICH 2 is broken, so need to modify linker command export CC="mpicc -lstdc++" # single precision mkdir mpich2-single cd mpich2-single %cmake $DEFOPTS $SINGLE $MPI $SUFFIXCONF .. make VERBOSE=1 %{?_smp_mflags} mdrun cd .. # double precision # Suffix to be used for double precision is SUFFIXCONF="-D GMX_DEFAULT_SUFFIX=OFF -D GMX_BINARY_SUFFIX=$SUFFIX -D GMX_LIBS_SUFFIX=${MPI_SUFFIX}_d" mkdir mpich2-double cd mpich2-double %cmake $DEFOPTS $DOUBLE $MPI $SUFFIXCONF .. make VERBOSE=1 %{?_smp_mflags} mdrun cd .. %{_mpich2_unload} %install rm -rf %{buildroot} ## Open MPI %if %{with_openmpi} %{_openmpi_load} # Make install-mdrun target is broken, do install manually mkdir -p %{buildroot}%{_libdir}/openmpi/{bin,lib} # single precision cd openmpi-single install -p -m 755 src/kernel/mdrun %{buildroot}%{_libdir}/openmpi/bin/g_mdrun_openmpi cp -a src/*/*.so* %{buildroot}%{_libdir}/openmpi/lib/ cd .. # double precision cd openmpi-double install -p -m 755 src/kernel/mdrun %{buildroot}%{_libdir}/openmpi/bin/g_mdrun_openmpi_d cp -a src/*/*.so* %{buildroot}%{_libdir}/openmpi/lib/ cd .. %{_openmpi_unload} %endif ## MPICH 2 %{_mpich2_load} # Make install-mdrun target is broken, do install manually mkdir -p %{buildroot}%{_libdir}/mpich2/{bin,lib} # single precision cd mpich2-single install -p -m 755 src/kernel/mdrun %{buildroot}%{_libdir}/mpich2/bin/g_mdrun_mpich2 cp -a src/*/*.so* %{buildroot}%{_libdir}/mpich2/lib/ cd .. # double precision cd mpich2-double install -p -m 755 src/kernel/mdrun %{buildroot}%{_libdir}/mpich2/bin/g_mdrun_mpich2_d cp -a src/*/*.so* %{buildroot}%{_libdir}/mpich2/lib/ cd .. %{_mpich2_unload} ## Serial versions # Single precision cd single make DESTDIR=%{buildroot} INSTALL="install -p" install cd .. # Double precision cd double make DESTDIR=%{buildroot} INSTALL="install -p" install cd .. ## Now, the rest of the necessary stuff # Install manual & packager's note install -cpm 644 %{SOURCE1} . install -cpm 644 %{SOURCE6} README.fedora # Remove broken makefiles generated by build process rm -rf %{buildroot}%{_datadir}/%{name}/template/Makefil* # Install template makefiles install -cpm 644 %{SOURCE2} %{buildroot}%{_datadir}/%{name}/template/Makefile.single install -cpm 644 %{SOURCE3} %{buildroot}%{_datadir}/%{name}/template/Makefile.double install -cpm 644 %{SOURCE4} %{buildroot}%{_datadir}/%{name}/template/Makefile.mpi.single install -cpm 644 %{SOURCE5} %{buildroot}%{_datadir}/%{name}/template/Makefile.mpi.double # Fix GMXRC file permissions chmod a+x %{buildroot}%{_bindir}/GMXRC %{buildroot}%{_bindir}/GMXRC.* # Rename binaries and man pages to prevent clashes # (This is done here so that we don't need to mess with machine generated makefiles. #for bin in anadock do_dssp editconf eneconv genbox genconf genion genrestr gmxcheck gmxdump grompp highway luck make_edi make_ndx mdrun mk_angndx ngmx pdb2gmx protonate sigeps tpbconv trjcat trjconv trjorder wheel x2top xpm2ps xrama ; do for bin in do_dssp editconf eneconv genbox genconf genion genrestr gmxcheck gmxdump grompp make_edi make_ndx mdrun mk_angndx pdb2gmx tpbconv trjcat trjconv trjorder xpm2ps; do mv %{buildroot}%{_bindir}/${bin} %{buildroot}%{_bindir}/g_${bin} mv %{buildroot}%{_bindir}/${bin}_d %{buildroot}%{_bindir}/g_${bin}_d done for bin in demux.pl xplor2gmx.pl; do mv %{buildroot}%{_bindir}/$bin %{buildroot}%{_bindir}/g_${bin} done # Man pages #for bin in anadock do_dssp editconf eneconv genbox genconf genion genrestr gmxcheck gmxdump grompp highway make_edi make_ndx mdrun mk_angndx ngmx pdb2gmx protonate sigeps tpbconv trjcat trjconv trjorder wheel x2top xpm2ps xrama ; do for bin in do_dssp editconf eneconv genbox genconf genion genrestr gmxcheck gmxdump grompp make_edi make_ndx mdrun mk_angndx pdb2gmx tpbconv trjcat trjconv trjorder xpm2ps; do mv %{buildroot}%{_mandir}/man1/${bin}.1 %{buildroot}%{_mandir}/man1/g_${bin}.1 #mv %{buildroot}%{_mandir}/man1/${bin}_d.1 %{buildroot}%{_mandir}/man1/g_${bin}_d.1 done # Move completion files around chmod a-x %{buildroot}%{_bindir}/completion.* # Zsh mkdir -p %{buildroot}%{_datadir}/zsh/site-functions mv %{buildroot}%{_bindir}/completion.zsh %{buildroot}%{_datadir}/zsh/site-functions/gromacs # Bash mkdir -p %{buildroot}%{_sysconfdir}/bash_completion.d mv %{buildroot}%{_bindir}/completion.bash %{buildroot}/etc/bash_completion.d/gromacs # Tcsh mv %{buildroot}%{_bindir}/completion.csh . # Remove .la files find %{buildroot} -name *.la -exec rm -rf {} \; # Get rid of executable stacks find %{buildroot} -name *.so.* -exec execstack -c {} \; # Post install for libs. MPI packages don't need this. %post libs -p /sbin/ldconfig %postun libs -p /sbin/ldconfig %clean rm -rf %{buildroot} # Files section %files %defattr(-,root,root,-) %{_bindir}/g_* %files common %defattr(-,root,root,-) %doc AUTHORS COPYING README manual-4.5.4.pdf README.fedora %{_bindir}/GMXRC %{_bindir}/GMXRC.bash %{_mandir}/man1/* %{_mandir}/man7/gromacs.* %{_datadir}/%{name}/ %exclude %{_datadir}/%{name}/template/ %exclude %{_datadir}/%{name}/tutor/ %files libs %defattr(-,root,root,-) %{_libdir}/libgmx.so.* %{_libdir}/libgmx_d.so.* %{_libdir}/libgmxana.so.* %{_libdir}/libgmxana_d.so.* %{_libdir}/libgmxpreprocess.so.* %{_libdir}/libgmxpreprocess_d.so.* %{_libdir}/libmd.so.* %{_libdir}/libmd_d.so.* %files devel %defattr(-,root,root,-) %{_includedir}/%{name} %{_libdir}/libgmx.so %{_libdir}/libgmx_d.so %{_libdir}/libgmxana.so %{_libdir}/libgmxana_d.so %{_libdir}/libgmxpreprocess.so %{_libdir}/libgmxpreprocess_d.so %{_libdir}/libmd.so %{_libdir}/libmd_d.so %{_libdir}/pkgconfig/*.pc %{_datadir}/%{name}/template/ %exclude %{_datadir}/%{name}/template/Makefile.mpi.* %if %{with_openmpi} %files openmpi %defattr(-,root,root,-) %{_libdir}/openmpi/bin/g_mdrun* %files openmpi-libs %defattr(-,root,root,-) %{_libdir}/openmpi/lib/lib*.so.* %files openmpi-devel %defattr(-,root,root,-) %{_libdir}/openmpi/lib/lib*.so %endif %files mpich2 %defattr(-,root,root,-) %{_libdir}/mpich2/bin/g_mdrun* %files mpich2-libs %defattr(-,root,root,-) %{_libdir}/mpich2/lib/lib*.so.* %files mpich2-devel %defattr(-,root,root,-) %{_libdir}/mpich2/lib/lib*.so %files zsh %defattr(-,root,root,-) %{_datadir}/zsh/site-functions/gromacs %{_bindir}/GMXRC.zsh %files bash %defattr(-,root,root,-) %config(noreplace) %{_sysconfdir}/bash_completion.d/gromacs %files csh %defattr(-,root,root,-) %doc completion.csh %{_bindir}/GMXRC.csh %files tutor %defattr(-,root,root,-) %{_datadir}/%{name}/tutor/ %changelog * Tue Sep 20 2011 Jussi Lehtola - 4.5.5-1 - Update to 4.5.5. * Wed Mar 30 2011 Deji Akingunola - 4.5.4-2 - Rebuild for mpich2 soname bump * Wed Mar 23 2011 Jussi Lehtola - 4.5.4-1 - Update to 4.5.4. * Sun Feb 13 2011 Jussi Lehtola - 4.5.3-4 - Get rid of executable stacks. * Mon Feb 07 2011 Dan HorĂ¡k - 4.5.3-3 - conditionalize OpenMPI support - fix build on 64-bit platforms * Mon Dec 20 2010 Jussi Lehtola - 4.5.3-2 - Fix rest of BZ #649338. * Thu Nov 18 2010 Jussi Lehtola - 4.5.3-1 - Update to 4.5.3. * Fri Nov 05 2010 Jussi Lehtola - 4.5.2-3 - Rebuild due to libxml2 soname bump. * Wed Nov 03 2010 Jussi Lehtola - 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 - 4.5.2-1 - Update to 4.5.2. * Wed Oct 27 2010 Jussi Lehtola - 4.5.1-2 - Patch around #644950. - Split libraries in own packages to avoid multilib problems. * Sat Oct 09 2010 Jussi Lehtola - 4.5.1-1 - Update to 4.5.1. * Sun Dec 06 2009 Jussi Lehtola - 4.0.7-1 - Update to 4.0.7. * Sun Dec 06 2009 Jussi Lehtola - 4.0.6-1 - Update to 4.0.6. * Fri Dec 04 2009 Jussi Lehtola - 4.0.5-6 - Fix file conflict. * Tue Dec 01 2009 Jussi Lehtola - 4.0.5-5 - Put correct MPI devel package requires in place. * Tue Dec 01 2009 Jussi Lehtola - 4.0.5-4 - Fix obsoletes. * Mon Nov 30 2009 Jussi Lehtola - 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 - 4.0.5-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_12_Mass_Rebuild * Fri May 22 2009 Jussi Lehtola - 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 - 4.0.4-1 - Update to 4.0.4. * Mon Jan 19 2009 Jussi Lehtola - 4.0.3-4 - Retry fixing gmxdemo. * Mon Jan 19 2009 Jussi Lehtola - 4.0.3-3 - Fixed gmxdemo. * Mon Jan 19 2009 Jussi Lehtola - 4.0.3-2 - Fix EPEL 4 build. * Mon Jan 19 2009 Jussi Lehtola - 4.0.3-1 - Update to 4.0.3. * Wed Jan 14 2009 Jussi Lehtola - 4.0.2-7 - Update manual to latest version. - Removed Requires: blas and lapack. * Mon Nov 10 2008 Jussi Lehtola - 4.0.2-6 - Update to 4.0.2. * Sun Nov 09 2008 Jussi Lehtola - 4.0.1-5 - Add Requires: blas too. * Sun Nov 09 2008 Jussi Lehtola - 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 - 4.0-3 - Rename also man pages. * Mon Oct 13 2008 Jussi Lehtola - 4.0-2 - Added noreplace to bash completion file. - Changed double precision mpi binary suffix to _mpi_d. * Sun Oct 12 2008 Jussi Lehtola - 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 - 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 - 4.0-0.14.rc3 - The gromacs module is loaded automatically and it conflicts with gromacs3. * Tue Oct 07 2008 Jussi Lehtola - 4.0-0.13.rc3 - Renamed module files from %%{name}-%%{version} to %%{name}. * Mon Oct 06 2008 Jussi Lehtola - 4.0-0.12.rc3 - Fix BR to get GROMACS to build in mock for epel-4. * Sat Oct 04 2008 Jussi Lehtola - 4.0-0.11.rc3 - Fix to get GROMACS to build in mock for epel-5. * Sat Oct 04 2008 Jussi Lehtola - 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 - 4.0-0.9.rc2 - Fall back to autoreconf due to binary renaming. * Fri Oct 03 2008 Jussi Lehtola - 4.0-0.8.rc2 - Modified install commands to preserve timestamps. * Fri Oct 03 2008 Jussi Lehtola - 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 - 4.0-0.6.rc2 - Final review fixes. * Wed Oct 01 2008 Jussi Lehtola - 4.0-0.5.rc2 - Strip down requires by branching tutor to its own package. * Tue Sep 30 2008 Jussi Lehtola - 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 - 4.0-0.3.rc2 - Move .so files to -devel package. - Remove .la files. * Mon Sep 29 2008 Jussi Lehtola - 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 - 4.0-0.1.rc2 - Alphabetized buildrequires. - Changed gromacs-share to gromacs-common. * Fri Sep 26 2008 Jussi Lehtola - 4.0-0.0.rc2 - Initial build.