diff --git a/.cvsignore b/.cvsignore index e69de29..808ec26 100644 --- a/.cvsignore +++ b/.cvsignore @@ -0,0 +1,2 @@ +gromacs-4.0.pdf +gromacs-4.0.tar.gz diff --git a/gromacs-GMXRC.patch b/gromacs-GMXRC.patch new file mode 100644 index 0000000..a185174 --- /dev/null +++ b/gromacs-GMXRC.patch @@ -0,0 +1,28 @@ +--- gromacs-4.0_rc2/scripts/GMXRC.csh.in.orig 2001-08-18 14:07:31.000000000 +0300 ++++ gromacs-4.0_rc2/scripts/GMXRC.csh.in 2008-09-28 15:33:26.000000000 +0300 +@@ -1,3 +1,4 @@ ++#!/bin/csh + # csh/tcsh configuration file for Gromacs. + # First we remove previous Gromacs stuff from paths + # by selecting everything else. +--- gromacs-4.0_rc2/scripts/GMXRC.bash.in.orig 2001-08-18 14:07:31.000000000 +0300 ++++ gromacs-4.0_rc2/scripts/GMXRC.bash.in 2008-09-28 15:33:08.000000000 +0300 +@@ -1,3 +1,4 @@ ++#!/bin/bash + # zsh configuration file for Gromacs + # First we remove old gromacs stuff from the paths + # by selecting everything else. +--- gromacs-4.0_rc2/scripts/GMXRC.in.orig 2001-08-18 14:07:31.000000000 +0300 ++++ gromacs-4.0_rc2/scripts/GMXRC.in 2008-09-28 15:33:44.000000000 +0300 +@@ -1,3 +1,4 @@ ++#!/bin/sh + # This is a convenience script to determine which + # type of shell you have, and then run GMXRC.[csh|bash|zsh] + # from the Gromacs binary directory. +--- gromacs-4.0_rc2/scripts/GMXRC.zsh.in.orig 2001-08-18 14:07:31.000000000 +0300 ++++ gromacs-4.0_rc2/scripts/GMXRC.zsh.in 2008-09-28 15:33:34.000000000 +0300 +@@ -1,3 +1,4 @@ ++#!/bin/zsh + # zsh configuration file for Gromacs + # First we remove old gromacs stuff from the paths + # by selecting everything else. diff --git a/gromacs-README.fedora b/gromacs-README.fedora new file mode 100644 index 0000000..ae554de --- /dev/null +++ b/gromacs-README.fedora @@ -0,0 +1,19 @@ +Oct 12 2008 +Jussi Lehtola + + +Some notes about the GROMACS Fedora package: + +- In order to prevent name clashes with other software, all +binaries have been renamed to start with g_ . For instance +grompp is now g_grompp and mdrun is now g_mdrun. + +- All binaries are available in single and dual precision. +The binaries with the _d suffix are double precision versions. +For instance g_mdrun is single precision and g_mdrun_d is double +precision. + +- MPI enabled binaries are in gromacs-mpi. These contain, too, +both single and double precision versions. Single precision +versions have _mpi suffix, double precisin versions _mpi_d suffix. +For instance g_mdrun_mpi and g_mdrun_mpi_d. diff --git a/gromacs-template-makefile-double b/gromacs-template-makefile-double new file mode 100644 index 0000000..b9ae2cb --- /dev/null +++ b/gromacs-template-makefile-double @@ -0,0 +1,13 @@ +LIBS = -lmd_d -lgmx_d -lnsl -lfftw3f -lm -lXm -lXt -lSM -lICE -lXext -lXp -lX11 +LDFLAGS = +CFLAGS = -O3 -g -pipe -fexceptions -m64 -Wall -I/usr/include/gromacs +CC = gcc +LD = $(CC) + +# The real make targets - note that most make programs support +# the shortcut $^ instead of listing all object files a second +# time, but we cannot count on it... + +template: template.o + $(LD) $(LDFLAGS) -o $@ template.o $(LIBS) + diff --git a/gromacs-template-makefile-mpi-double b/gromacs-template-makefile-mpi-double new file mode 100644 index 0000000..8bc0388 --- /dev/null +++ b/gromacs-template-makefile-mpi-double @@ -0,0 +1,13 @@ +LIBS = -lmd_mpi_d -lgmx_mpi_d -lnsl -lfftw3f -lm -lXm -lXt -lSM -lICE -lXext -lXp -lX11 +LDFLAGS = +CFLAGS = -O3 -g -pipe -fexceptions -m64 -Wall -I/usr/include/gromacs +CC = mpicc +LD = $(CC) + +# The real make targets - note that most make programs support +# the shortcut $^ instead of listing all object files a second +# time, but we cannot count on it... + +template: template.o + $(LD) $(LDFLAGS) -o $@ template.o $(LIBS) + diff --git a/gromacs-template-makefile-mpi-single b/gromacs-template-makefile-mpi-single new file mode 100644 index 0000000..05b8dca --- /dev/null +++ b/gromacs-template-makefile-mpi-single @@ -0,0 +1,13 @@ +LIBS = -lmd_mpi -lgmx_mpi -lnsl -lfftw3f -lm -lXm -lXt -lSM -lICE -lXext -lXp -lX11 +LDFLAGS = +CFLAGS = -O3 -g -pipe -fexceptions -m64 -Wall -I/usr/include/gromacs +CC = mpicc +LD = $(CC) + +# The real make targets - note that most make programs support +# the shortcut $^ instead of listing all object files a second +# time, but we cannot count on it... + +template: template.o + $(LD) $(LDFLAGS) -o $@ template.o $(LIBS) + diff --git a/gromacs-template-makefile-single b/gromacs-template-makefile-single new file mode 100644 index 0000000..50b369b --- /dev/null +++ b/gromacs-template-makefile-single @@ -0,0 +1,13 @@ +LIBS = -lmd -lgmx -lnsl -lfftw3f -lm -lXm -lXt -lSM -lICE -lXext -lXp -lX11 +LDFLAGS = +CFLAGS = -O3 -g -pipe -fexceptions -m64 -Wall -I/usr/include/gromacs +CC = gcc +LD = $(CC) + +# The real make targets - note that most make programs support +# the shortcut $^ instead of listing all object files a second +# time, but we cannot count on it... + +template: template.o + $(LD) $(LDFLAGS) -o $@ template.o $(LIBS) + diff --git a/gromacs.spec b/gromacs.spec new file mode 100644 index 0000000..2ae9cff --- /dev/null +++ b/gromacs.spec @@ -0,0 +1,596 @@ +Name: gromacs +Version: 4.0 +Release: 3%{?dist} +Summary: GROMACS binaries +Group: Applications/Engineering +License: GPLv2+ +URL: http://www.gromacs.org +Source0: ftp://ftp.gromacs.org/pub/gromacs/gromacs-%{version}.tar.gz +#Source1: ftp://ftp.gromacs.org/pub/manual/manual-%{version}.pdf +Source1: ftp://ftp.gromacs.org/pub/beta/gromacs-4.0.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 + +BuildRoot: %{_tmppath}/%{name}-%{version}-%{release}-root-%(%{__id_u} -n) +Requires: gromacs-common = %{version}-%{release} + +BuildRequires: fftw-devel +BuildRequires: gsl-devel +BuildRequires: libxml2-devel +BuildRequires: openmpi-devel + +%if 0%{?rhel} == 4 +BuildRequires: blas +BuildRequires: lapack +BuildRequires: xorg-x11-devel +%else +BuildRequires: blas-devel +BuildRequires: lapack-devel +BuildRequires: libX11-devel +%endif + +# Check for mpi-selector or environment-modules + +%define selector 0 +%define modules 0 + +%if 0%{?fedora} > 9 +%define modules 1 +%endif + +%if 0%{?rhel} == 4 +%define selector 1 +%endif + +%if 0%{?rhel} == 5 +%define selector 1 +%endif + +%if %modules == 1 +BuildRequires: environment-modules +%endif + +%if %selector == 1 +BuildRequires: mpi-selector +%endif + + +%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. + +N.B. All binaries have names starting with g_, for example +mdrun has been renamed to g_mdrun. + +%package libs +Summary: GROMACS libraries +Group: Applications/Engineering +Requires: gromacs-common = %{version}-%{release} + +%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 provides runtime libraries needed for the +single and double precision binaries. + + +%package mpi +Summary: GROMACS MPI binaries +Group: Applications/Engineering +Requires: gromacs-common = %{version}-%{release} + +%description mpi +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 MPI single precision and double +precision binaries. + + +%package common +Summary: GROMACS shared data and documentation +Group: Applications/Engineering + +%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-common = %{version}-%{release} +Requires: gromacs-libs = %{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, development libraries, +and a program example for the GROMACS molecular +dynamics software. You need it if you want to write your +own analysis programs. + + +%package mpi-devel +Summary: GROMACS MPI development libraries +Group: Applications/Engineering +Requires: gromacs-mpi-libs = %{version}-%{release} +Requires: gromacs-devel = %{version}-%{release} + +%description mpi-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 MPI. +You need it if you want to write your own analysis programs. + + +%package mpi-libs +Summary: GROMACS libraries +Group: Applications/Engineering +Requires: gromacs-common = %{version}-%{release} + +%description mpi-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 provides runtime libraries needed for the +MPI single and double precision binaries. + + +%package bash +Summary: GROMACS bash completion +Group: Applications/Engineering +Requires: bash-completion + +%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 the needed +bash completion for GROMACS + + +%package zsh +Summary: GROMACS zsh support +Group: Applications/Engineering +Requires: zsh + +%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, also it provides zsh completion. + + +%package csh +Summary: GROMACS csh support +Group: Applications/Engineering +Requires: csh + +%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} + +%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 + +# Fix incorrect permission +chmod a-x src/tools/gmx_xpm2ps.c + + + +%build +# 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" +export LIBS="-lblas -llapack" + +# Single precision +mkdir single +cd single +ln -s ../configure . +%configure --enable-shared \ + --disable-static --enable-float \ + --with-external-blas --with-external-lapack \ + --with-gsl --with-x +sed -i 's|^hardcode_libdir_flag_spec=.*|hardcode_libdir_flag_spec=""|g' libtool +sed -i 's|^runpath_var=LD_RUN_PATH|runpath_var=DIE_RPATH_DIE|g' libtool + +make %{?_smp_mflags} +cd .. + +# Double precision +mkdir double +cd double +ln -s ../configure . +%configure --disable-rpath --enable-shared \ + --disable-static --disable-float \ + --with-external-blas --with-external-lapack \ + --with-gsl --with-x \ + --program-suffix=_d +sed -i 's|^hardcode_libdir_flag_spec=.*|hardcode_libdir_flag_spec=""|g' libtool +sed -i 's|^runpath_var=LD_RUN_PATH|runpath_var=DIE_RPATH_DIE|g' libtool + +make %{?_smp_mflags} +cd .. + +# Load MPI enviroment + +%if %modules == 1 +. /etc/profile.d/modules.sh +module load %{_libdir}/openmpi/*/openmpi.module +%endif + +%if %selector == 1 +# Set MPI environment +mpi-selector --set `mpi-selector --list | grep openmpi` +source /etc/profile.d/mpi-selector.sh +%endif + + +# MPI, single precision + +mkdir mpi-single +cd mpi-single +ln -s ../configure . +%configure --enable-shared \ + --disable-static --enable-float \ + --with-external-blas --with-external-lapack \ + --with-gsl --with-x --enable-mpi \ + --program-suffix=_mpi +sed -i 's|^hardcode_libdir_flag_spec=.*|hardcode_libdir_flag_spec=""|g' libtool +sed -i 's|^runpath_var=LD_RUN_PATH|runpath_var=DIE_RPATH_DIE|g' libtool + +make %{?_smp_mflags} mdrun +#make %{?_smp_mflags} +cd .. + +# MPI, double precision +mkdir mpi-double +cd mpi-double +ln -s ../configure . +%configure --enable-shared \ + --disable-static --disable-float \ + --with-external-blas --with-external-lapack \ + --with-gsl --with-x --enable-mpi \ + --program-suffix=_mpi_d +sed -i 's|^hardcode_libdir_flag_spec=.*|hardcode_libdir_flag_spec=""|g' libtool +sed -i 's|^runpath_var=LD_RUN_PATH|runpath_var=DIE_RPATH_DIE|g' libtool + +make %{?_smp_mflags} mdrun +#make %{?_smp_mflags} +cd .. + + +%install +rm -rf %{buildroot} + +# Single precision +cd single +make DESTDIR=%{buildroot} INSTALL="install -p" install +cd .. + +# Double precision +cd double +make DESTDIR=%{buildroot} INSTALL="install -p" install +cd .. + + + +# MPI, single precision +cd mpi-single +make DESTDIR=%{buildroot} INSTALL="install -p" install-mdrun +cd .. + +# MPI, double precision +cd mpi-double +make DESTDIR=%{buildroot} INSTALL="install -p" install-mdrun +cd .. + +# 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 +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_${bin} +done + +# MPI-enabled binaries (list will continue when the makefile has +# the possibility to compile all mpi-enabled files +for mpibin in mdrun; do +mv %{buildroot}%{_bindir}/${mpibin}_mpi %{buildroot}%{_bindir}/g_${mpibin}_mpi +mv %{buildroot}%{_bindir}/${mpibin}_mpi_d %{buildroot}%{_bindir}/g_${mpibin}_mpi_d +done + +# Man pages +for bin in anadock do_dssp editconf eneconv genbox genconf genion genrestr gmxcheck gmxdump grompp highway make_edi make_ndx mdrun mk_angndx ngmx pdb2gmx protonate sigeps tpbconv trjcat trjconv trjorder wheel x2top xpm2ps xrama ; do +mv %{buildroot}%{_mandir}/man1/${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 +rm -rf %{buildroot}/%{_libdir}/*.la + +# Post install for libs + +%post libs -p /sbin/ldconfig + +%postun libs -p /sbin/ldconfig + +%post mpi-libs -p /sbin/ldconfig + +%postun mpi-libs -p /sbin/ldconfig + + +%clean +rm -rf %{buildroot} + + + + +# Files section + +%files +%defattr(-,root,root,-) +%{_bindir}/* +%exclude %{_bindir}/g_mdrun_mpi +%exclude %{_bindir}/g_mdrun_mpi_d +%exclude %{_bindir}/GMXRC* + +%files libs +%defattr(-,root,root,-) +%{_libdir}/libgmx.so.* +%{_libdir}/libgmx_d.so.* +%{_libdir}/libgmxana.so.* +%{_libdir}/libgmxana_d.so.* +%{_libdir}/libmd.so.* +%{_libdir}/libmd_d.so.* + +%files mpi +%defattr(-,root,root,-) +%{_bindir}/g_mdrun_mpi +%{_bindir}/g_mdrun_mpi_d + + +%files mpi-libs +%defattr(-,root,root,-) +%{_libdir}/libgmx_mpi.so.* +%{_libdir}/libgmx_mpi_d.so.* +%{_libdir}/libmd_mpi.so.* +%{_libdir}/libmd_mpi_d.so.* + + + +%files common +%defattr(-,root,root,-) +%doc AUTHORS COPYING README gromacs-4.0.pdf README.fedora +%{_bindir}/GMXRC +%{_bindir}/GMXRC.bash +%{_mandir}/man1/* +%{_datadir}/%{name} +%exclude %{_datadir}/%{name}/template +%exclude %{_datadir}/%{name}/tutor + +%files devel +%defattr(-,root,root,-) +%{_includedir}/%{name} +%{_libdir}/libgmx.so +%{_libdir}/libgmx_d.so +%{_libdir}/libgmxana.so +%{_libdir}/libgmxana_d.so +%{_libdir}/libmd.so +%{_libdir}/libmd_d.so +%{_datadir}/%{name}/template +%exclude %{_datadir}/%{name}/template/Makefile.mpi.* + +%files mpi-devel +%defattr(-,root,root,-) +%{_libdir}/libgmx_mpi.so +%{_libdir}/libgmx_mpi_d.so +%{_libdir}/libmd_mpi.so +%{_libdir}/libmd_mpi_d.so +%{_datadir}/%{name}/template/Makefile.mpi.* + + +%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 +* 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. diff --git a/import.log b/import.log new file mode 100644 index 0000000..f5802ed --- /dev/null +++ b/import.log @@ -0,0 +1 @@ +gromacs-4_0-3_fc9:HEAD:gromacs-4.0-3.fc9.src.rpm:1224069849 diff --git a/sources b/sources index e69de29..37ed435 100644 --- a/sources +++ b/sources @@ -0,0 +1,2 @@ +7a7680983a3a6fcc06b2817c6ab614fc gromacs-4.0.pdf +bfc18a2ecc998f542438316b9148b7ff gromacs-4.0.tar.gz