rpms/gromacs/F-12 gromacs.spec,1.13,1.14 sources,1.9,1.10
Jussi Lehtola
jussilehtola at fedoraproject.org
Sun Dec 6 22:35:39 UTC 2009
Author: jussilehtola
Update of /cvs/pkgs/rpms/gromacs/F-12
In directory cvs1.fedora.phx.redhat.com:/tmp/cvs-serv17524
Modified Files:
gromacs.spec sources
Log Message:
Update to 4.0.7.
Index: gromacs.spec
===================================================================
RCS file: /cvs/pkgs/rpms/gromacs/F-12/gromacs.spec,v
retrieving revision 1.13
retrieving revision 1.14
diff -u -p -r1.13 -r1.14
--- gromacs.spec 25 Jul 2009 01:30:46 -0000 1.13
+++ gromacs.spec 6 Dec 2009 22:35:38 -0000 1.14
@@ -1,6 +1,6 @@
Name: gromacs
-Version: 4.0.5
-Release: 2%{?dist}
+Version: 4.0.7
+Release: 1%{?dist}
Summary: Fast, Free and Flexible Molecular Dynamics
Group: Applications/Engineering
License: GPLv2+
@@ -21,48 +21,15 @@ Patch1: gromacs-gmxdemo.patch
# Patch configure for the library suffix
Patch2: gromacs-configure.patch
-Requires: gromacs-common = %{version}-%{release}
-
+BuildRequires: blas-devel
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: libxml2-devel
BuildRequires: libX11-devel
-%endif
-
-# Check for mpi-selector or environment-modules
-
-%global selector 0
-%global modules 0
-
-%if 0%{?fedora} > 9
-%global modules 1
-%endif
-
-%if 0%{?rhel} == 4
-%global selector 1
-%endif
-
-%if 0%{?rhel} == 5
-%global selector 1
-%endif
-
-%if %modules == 1
-BuildRequires: environment-modules
-%endif
-
-%if %selector == 1
-BuildRequires: mpi-selector
-%endif
+Requires: gromacs-common = %{version}-%{release}
+Obsoletes: gromacs-libs < %{version}-%{release}
%description
GROMACS is a versatile and extremely well optimized package to perform
@@ -78,95 +45,12 @@ N.B. All binaries have names starting wi
renamed to g_mdrun.
-%package debug
-Summary: GROMACS debugging binaries without assembly loops
-Group: Applications/Engineering
-Requires: gromacs-common = %{version}-%{release}
-
-%description debug
-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 debugging versions of single and
-double precision binaries, compiled without assembly loops.
-The documentation is in the package gromacs-common.
-You do not want this package for production purposes.
-
-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 debug-libs
-Summary: GROMACS libraries without assembly loops for debugging
-Group: Applications/Engineering
-Requires: gromacs-common = %{version}-%{release}
-
-%description debug-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 debugging versions of
-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 debug-mpi
-Summary: GROMACS debugging MPI binaries without assembly loops
-Group: Applications/Engineering
-Requires: gromacs-common = %{version}-%{release}
-
-%description debug-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 debugging versions of MPI single precision and double
-precision binaries.
-
-
-
%package common
Summary: GROMACS shared data and documentation
Group: Applications/Engineering
+BuildArch: noarch
+# Due to switch to noarch package
+Obsoletes: gromacs-common < %{version}-%{release}
%description common
GROMACS is a versatile and extremely well optimized package to perform
@@ -181,8 +65,7 @@ This package includes architecture indep
%package devel
Summary: GROMACS header files and development libraries
Group: Applications/Engineering
-Requires: gromacs-common = %{version}-%{release}
-Requires: gromacs-libs = %{version}-%{release}
+Requires: gromacs = %{version}-%{release}
%description devel
GROMACS is a versatile and extremely well optimized package to perform
@@ -196,104 +79,91 @@ molecular dynamics software. You need it
programs.
-
-%package debug-devel
-Summary: GROMACS debugging header files and development libraries
+%package openmpi
+Summary: GROMACS Open MPI binaries and libraries
Group: Applications/Engineering
+Obsoletes: gromacs-mpi < %{version}-%{release}
+Obsoletes: gromacs-mpi-libs < %{version}-%{release}
Requires: gromacs-common = %{version}-%{release}
-Requires: gromacs-devel = %{version}-%{release}
-Requires: gromacs-debug-libs = %{version}-%{release}
+BuildRequires: openmpi-devel
+Requires: openmpi
-%description debug-devel
+%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.
-This package contains header files and development libraries for the debugging
-version of the GROMACS molecular dynamics software.
-
+This package provides Open MPI single precision and double precision binaries
+and libraries.
-%package mpi-devel
-Summary: GROMACS MPI development libraries
+%package openmpi-devel
+Summary: GROMACS Open MPI development libraries
Group: Applications/Engineering
-Requires: gromacs-mpi-libs = %{version}-%{release}
+Obsoletes: gromacs-mpi-devel < %{version}-%{release}
Requires: gromacs-devel = %{version}-%{release}
-# Need to have this so that yum doesn't install LAM instead
-Requires: openmpi
+Requires: gromacs-openmpi = %{version}-%{release}
+Requires: openmpi-devel
-%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 debug-mpi-devel
-Summary: GROMACS debugging MPI development libraries
-Group: Applications/Engineering
-Requires: gromacs-debug-mpi-libs = %{version}-%{release}
-Requires: gromacs-debug-devel = %{version}-%{release}
-# Need to have this so that yum doesn't install LAM instead
-Requires: openmpi
-
-%description debug-mpi-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 debugging versions of development libraries for the MPI
-version of GROMACS.
+This package contains development libraries for GROMACS Open MPI.
+You need it if you want to write your own analysis programs.
-%package mpi-libs
-Summary: GROMACS MPI libraries
+%package mpich2
+Summary: GROMACS MPICH2 binaries and libraries
Group: Applications/Engineering
Requires: gromacs-common = %{version}-%{release}
-# Need to have this so that yum doesn't install LAM instead
-Requires: openmpi
+Requires: mpich2
-%description mpi-libs
+%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.
-This package provides runtime libraries needed for the MPI single and double
-precision binaries.
+This package provides MPICH2 single precision and double precision binaries
+and libraries.
-%package debug-mpi-libs
-Summary: GROMACS debugging MPI libraries
+%package mpich2-devel
+Summary: GROMACS MPICH2 development libraries
Group: Applications/Engineering
-Requires: gromacs-common = %{version}-%{release}
-# Need to have this so that yum doesn't install LAM instead
-Requires: openmpi
+Requires: gromacs-devel = %{version}-%{release}
+Requires: gromacs-mpich2 = %{version}-%{release}
+BuildRequires: mpich2-devel
+Requires: mpich2-devel
-%description debug-mpi-libs
+%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 provides debugging versions of runtime libraries needed for the
-debug versions of the MPI single and double precision binaries.
+This package contains development libraries for GROMACS MPICH2.
+You 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 < %{version}-%{release}
+
%description bash
GROMACS is a versatile and extremely well optimized package to perform
@@ -309,6 +179,10 @@ This package provides bash completion fo
Summary: GROMACS zsh support
Group: Applications/Engineering
Requires: zsh
+BuildArch: noarch
+# Due to switch to noarch package
+Obsoletes: gromacs-zsh < %{version}-%{release}
+
%description zsh
GROMACS is a versatile and extremely well optimized package to perform
@@ -325,6 +199,10 @@ completion.
Summary: GROMACS csh support
Group: Applications/Engineering
Requires: csh
+BuildArch: noarch
+# Due to switch to noarch package
+Obsoletes: gromacs-csh < %{version}-%{release}
+
%description csh
GROMACS is a versatile and extremely well optimized package to perform
@@ -340,6 +218,9 @@ script.
Summary: GROMACS tutorial files
Group: Applications/Engineering
Requires: gromacs-common = %{version}-%{release}
+BuildArch: noarch
+# Due to switch to noarch package
+Obsoletes: gromacs-tutor < %{version}-%{release}
%description tutor
GROMACS is a versatile and extremely well optimized package to perform
@@ -375,6 +256,8 @@ export DEFOPTS="--enable-shared --disabl
export SINGLE="--enable-float" # Single precision
export DOUBLE="--disable-float" # Double precision
export MPI="--enable-mpi"
+
+# Add this to the configure options if you want to build a debug version
export NOASM="--disable-ia32-3dnow --disable-ia32-sse --disable-x86-64-sse \
--disable-ppc-altivec --disable-ia64-asm"
@@ -390,19 +273,6 @@ sed -i 's|^runpath_var=LD_RUN_PATH|runpa
make %{?_smp_mflags}
cd ..
-# Single precision, debug version with no assembly loops
-mkdir single-debug
-cd single-debug
-sed "s|@LIBSUFFIX@|_debug|g" < ../configure > configure; chmod 777 configure
-%configure $DEFOPTS $SINGLE $NOASM --program-suffix="_debug"
-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
@@ -414,140 +284,98 @@ sed -i 's|^runpath_var=LD_RUN_PATH|runpa
make %{?_smp_mflags}
cd ..
-# Double precision, debug version with no assembly loops
-mkdir double-debug
-cd double-debug
-sed "s|@LIBSUFFIX@|_d_debug|g" < ../configure > configure; chmod 777 configure
-%configure $DEFOPTS $DOUBLE $NOASM --program-suffix="_d_debug"
-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
-# The module overrides CFLAGS, need to set them again..
-export CFLAGS="%optflags -Wa,--noexecstack -fPIC"
-%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
+### MPI versions
+export CC=mpicc
+export CXX=mpicxx
+export F77=mpif77
+export F90=mpif90
+export FC=mpif90
+
+## Open MPI
+%{_openmpi_load}
+# single precision
+mkdir openmpi-single
+cd openmpi-single
sed "s|@LIBSUFFIX@|_mpi|g" < ../configure > configure; chmod 777 configure
-%configure $DEFOPTS $SINGLE $MPI --program-suffix="_mpi"
+%configure $DEFOPTS $SINGLE $MPI --program-suffix=${MPI_SUFFIX} --bindir=${MPI_BIN} --libdir=${MPI_LIB}
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 ..
-
-mkdir mpi-single-debug
-cd mpi-single-debug
-sed "s|@LIBSUFFIX@|_mpi_debug|g" < ../configure > configure; chmod 777 configure
-%configure $DEFOPTS $SINGLE $MPI $NOASM --program-suffix="_mpi_debug"
+# double precision
+mkdir openmpi-double
+cd openmpi-double
+sed "s|@LIBSUFFIX@|_mpi_d|g" < ../configure > configure; chmod 777 configure
+%configure $DEFOPTS $DOUBLE $MPI --program-suffix=${MPI_SUFFIX}_d --bindir=${MPI_BIN} --libdir=${MPI_LIB}
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 ..
+# unload
+%{_openmpi_unload}
-
-
-# MPI, double precision
-mkdir mpi-double
-cd mpi-double
-sed "s|@LIBSUFFIX@|_mpi_d|g" < ../configure > configure; chmod 777 configure
-%configure $DEFOPTS $DOUBLE $MPI --program-suffix="_mpi_d"
+## MPICH2
+%{_mpich2_load}
+# single precision
+mkdir mpich2-single
+cd mpich2-single
+sed "s|@LIBSUFFIX@|_mpi|g" < ../configure > configure; chmod 777 configure
+%configure $DEFOPTS $SINGLE $MPI --program-suffix=${MPI_SUFFIX} --bindir=${MPI_BIN} --libdir=${MPI_LIB}
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 ..
-
-mkdir mpi-double-debug
-cd mpi-double-debug
-sed "s|@LIBSUFFIX@|_mpi_d_debug|g" < ../configure > configure; chmod 777 configure
-%configure $DEFOPTS $DOUBLE $MPI $NOASM --program-suffix="_mpi_d_debug"
+# double precision
+mkdir mpich2-double
+cd mpich2-double
+sed "s|@LIBSUFFIX@|_mpi_d|g" < ../configure > configure; chmod 777 configure
+%configure $DEFOPTS $DOUBLE $MPI --program-suffix=${MPI_SUFFIX}_d --bindir=${MPI_BIN} --libdir=${MPI_LIB}
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 ..
+%{_mpich2_unload}
%install
rm -rf %{buildroot}
-# 4.0.3 needs this to build in EPEL-4
-# Load MPI enviroment
-%if %modules == 1
-. /etc/profile.d/modules.sh
-module load %{_libdir}/openmpi/*/openmpi.module
-export CFLAGS="%optflags -Wa,--noexecstack -fPIC"
-%endif
-
-%if %selector == 1
-# Set MPI environment
-mpi-selector --set `mpi-selector --list | grep openmpi`
-source /etc/profile.d/mpi-selector.sh
-%endif
-
-
-# Single precision
-cd single
-make DESTDIR=%{buildroot} INSTALL="install -p" install
-cd ..
-cd single-debug
-make DESTDIR=%{buildroot} INSTALL="install -p" install
+## Open MPI
+%{_openmpi_load}
+# single precision
+cd openmpi-single
+make DESTDIR=%{buildroot} INSTALL="install -p" BINDIR=${MPI_BIN} LIBDIR=${MPI_LIB} install-mdrun
cd ..
-
-# Double precision
-cd double
-make DESTDIR=%{buildroot} INSTALL="install -p" install
+# double precision
+cd openmpi-double
+make DESTDIR=%{buildroot} INSTALL="install -p" BINDIR=${MPI_BIN} LIBDIR=${MPI_LIB} install-mdrun
cd ..
+%{_openmpi_unload}
-cd double-debug
-make DESTDIR=%{buildroot} INSTALL="install -p" install
+## MPICH 2
+%{_mpich2_load}
+# single precision
+cd mpich2-single
+make DESTDIR=%{buildroot} INSTALL="install -p" BINDIR=${MPI_BIN} LIBDIR=${MPI_LIB} install-mdrun
cd ..
-
-
-
-# MPI, single precision
-cd mpi-single
-make DESTDIR=%{buildroot} INSTALL="install -p" install-mdrun
+# double precision
+cd mpich2-double
+make DESTDIR=%{buildroot} INSTALL="install -p" BINDIR=${MPI_BIN} LIBDIR=${MPI_LIB} install-mdrun
cd ..
+%{_mpich2_unload}
-cd mpi-single-debug
-make DESTDIR=%{buildroot} INSTALL="install -p" install-mdrun
-cd ..
+## Serial versions
-# MPI, double precision
-cd mpi-double
-make DESTDIR=%{buildroot} INSTALL="install -p" install-mdrun
+# Single precision
+cd single
+make DESTDIR=%{buildroot} INSTALL="install -p" install
cd ..
-
-cd mpi-double-debug
-make DESTDIR=%{buildroot} INSTALL="install -p" install-mdrun
+# Double precision
+cd double
+make DESTDIR=%{buildroot} INSTALL="install -p" install
cd ..
@@ -571,9 +399,7 @@ chmod a+x %{buildroot}%{_bindir}/GMXRC %
# (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}/${bin}_debug %{buildroot}%{_bindir}/g_${bin}_debug
mv %{buildroot}%{_bindir}/${bin}_d %{buildroot}%{_bindir}/g_${bin}_d
-mv %{buildroot}%{_bindir}/${bin}_d_debug %{buildroot}%{_bindir}/g_${bin}_d_debug
done
for bin in demux.pl xplor2gmx.pl; do
@@ -582,11 +408,11 @@ 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}/${mpibin}_mpi_debug %{buildroot}%{_bindir}/g_${mpibin}_mpi_debug
-mv %{buildroot}%{_bindir}/${mpibin}_mpi_d %{buildroot}%{_bindir}/g_${mpibin}_mpi_d
-mv %{buildroot}%{_bindir}/${mpibin}_mpi_d_debug %{buildroot}%{_bindir}/g_${mpibin}_mpi_d_debug
+for mpi in openmpi mpich2; do
+ for mpibin in mdrun; do
+ mv %{buildroot}%{_libdir}/$mpi/bin/${mpibin}_${mpi} %{buildroot}%{_libdir}/$mpi/bin/g_${mpibin}_${mpi}
+ mv %{buildroot}%{_libdir}/$mpi/bin/${mpibin}_${mpi}_d %{buildroot}%{_libdir}/$mpi/bin/g_${mpibin}_${mpi}_d
+ done
done
# Man pages
@@ -607,51 +433,22 @@ mv %{buildroot}%{_bindir}/completion.bas
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 debug-libs -p /sbin/ldconfig
-
-%postun debug-libs -p /sbin/ldconfig
-
-%post mpi-libs -p /sbin/ldconfig
-
-%postun mpi-libs -p /sbin/ldconfig
-
-%post debug-mpi-libs -p /sbin/ldconfig
-
-%postun debug-mpi-libs -p /sbin/ldconfig
+find %{buildroot} -name *.la -exec rm -rf {} \;
+# Post install for libs. MPI packages don't need this.
+%post -p /sbin/ldconfig
+%postun -p /sbin/ldconfig
%clean
rm -rf %{buildroot}
-
-
# Files section
%files
%defattr(-,root,root,-)
-%{_bindir}/*
-%exclude %{_bindir}/*_debug
-%exclude %{_bindir}/g_mdrun_mpi*
-%exclude %{_bindir}/GMXRC*
-
-%files debug
-%defattr(-,root,root,-)
-%{_bindir}/*_debug
-%exclude %{_bindir}/g_mdrun_mpi_debug
-%exclude %{_bindir}/g_mdrun_mpi_d_debug
-
-%files libs
-%defattr(-,root,root,-)
+%{_bindir}/g_*
%{_libdir}/libgmx.so.*
%{_libdir}/libgmx_d.so.*
%{_libdir}/libgmxana.so.*
@@ -659,50 +456,15 @@ rm -rf %{buildroot}
%{_libdir}/libmd.so.*
%{_libdir}/libmd_d.so.*
-%files debug-libs
-%defattr(-,root,root,-)
-%{_libdir}/libgmx_debug.so.*
-%{_libdir}/libgmx_d_debug.so.*
-%{_libdir}/libgmxana_debug.so.*
-%{_libdir}/libgmxana_d_debug.so.*
-%{_libdir}/libmd_debug.so.*
-%{_libdir}/libmd_d_debug.so.*
-
-
-%files mpi
-%defattr(-,root,root,-)
-%{_bindir}/g_mdrun_mpi
-%{_bindir}/g_mdrun_mpi_d
-
-%files debug-mpi
-%defattr(-,root,root,-)
-%{_bindir}/g_mdrun_mpi_debug
-%{_bindir}/g_mdrun_mpi_d_debug
-
-%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 debug-mpi-libs
-%defattr(-,root,root,-)
-%{_libdir}/libgmx_mpi_debug.so.*
-%{_libdir}/libgmx_mpi_d_debug.so.*
-%{_libdir}/libmd_mpi_debug.so.*
-%{_libdir}/libmd_mpi_d_debug.so.*
-
-
%files common
%defattr(-,root,root,-)
%doc AUTHORS COPYING README manual-4.0.pdf README.fedora
%{_bindir}/GMXRC
%{_bindir}/GMXRC.bash
%{_mandir}/man1/*
-%{_datadir}/%{name}
-%exclude %{_datadir}/%{name}/template
-%exclude %{_datadir}/%{name}/tutor
+%{_datadir}/%{name}/
+%exclude %{_datadir}/%{name}/template/
+%exclude %{_datadir}/%{name}/tutor/
%files devel
%defattr(-,root,root,-)
@@ -713,33 +475,26 @@ rm -rf %{buildroot}
%{_libdir}/libgmxana_d.so
%{_libdir}/libmd.so
%{_libdir}/libmd_d.so
-%{_datadir}/%{name}/template
+%{_datadir}/%{name}/template/
%exclude %{_datadir}/%{name}/template/Makefile.mpi.*
-%files debug-devel
+%files openmpi
%defattr(-,root,root,-)
-%{_libdir}/libgmx_debug.so
-%{_libdir}/libgmx_d_debug.so
-%{_libdir}/libgmxana_debug.so
-%{_libdir}/libgmxana_d_debug.so
-%{_libdir}/libmd_debug.so
-%{_libdir}/libmd_d_debug.so
-
-%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 debug-mpi-devel
-%defattr(-,root,root,-)
-%{_libdir}/libgmx_mpi_debug.so
-%{_libdir}/libgmx_mpi_d_debug.so
-%{_libdir}/libmd_mpi_debug.so
-%{_libdir}/libmd_mpi_d_debug.so
+%{_libdir}/openmpi/bin/g_mdrun*
+%{_libdir}/openmpi/lib/lib*.so.*
+%files openmpi-devel
+%defattr(-,root,root,-)
+%{_libdir}/openmpi/lib/lib*.so
+
+%files mpich2
+%defattr(-,root,root,-)
+%{_libdir}/mpich2/bin/g_mdrun*
+%{_libdir}/mpich2/lib/lib*.so.*
+
+%files mpich2-devel
+%defattr(-,root,root,-)
+%{_libdir}/mpich2/lib/lib*.so
%files zsh
%defattr(-,root,root,-)
@@ -750,7 +505,6 @@ rm -rf %{buildroot}
%defattr(-,root,root,-)
%config(noreplace) %{_sysconfdir}/bash_completion.d/gromacs
-
%files csh
%defattr(-,root,root,-)
%doc completion.csh
@@ -758,10 +512,30 @@ rm -rf %{buildroot}
%files tutor
%defattr(-,root,root,-)
-%{_datadir}/%{name}/tutor
+%{_datadir}/%{name}/tutor/
%changelog
+* Sun Dec 06 2009 Jussi Lehtola <jussilehtola at fedoraproject.org> - 4.0.7-1
+- Update to 4.0.7.
+
+* Sun Dec 06 2009 Jussi Lehtola <jussilehtola at fedoraproject.org> - 4.0.6-1
+- Update to 4.0.6.
+
+* Fri Dec 04 2009 Jussi Lehtola <jussilehtola at fedoraproject.org> - 4.0.5-6
+- Fix file conflict.
+
+* Tue Dec 01 2009 Jussi Lehtola <jussilehtola at fedoraproject.org> - 4.0.5-5
+- Put correct MPI devel package requires in place.
+
+* Tue Dec 01 2009 Jussi Lehtola <jussilehtola at fedoraproject.org> - 4.0.5-4
+- Fix obsoletes.
+
+* Mon Nov 30 2009 Jussi Lehtola <jussilehtola at 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 at lists.fedoraproject.org> - 4.0.5-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_12_Mass_Rebuild
Index: sources
===================================================================
RCS file: /cvs/pkgs/rpms/gromacs/F-12/sources,v
retrieving revision 1.9
retrieving revision 1.10
diff -u -p -r1.9 -r1.10
--- sources 22 May 2009 09:30:08 -0000 1.9
+++ sources 6 Dec 2009 22:35:38 -0000 1.10
@@ -1,2 +1,2 @@
+51369bd553e6bba4085a58bcf23d337d gromacs-4.0.7.tar.gz
2b6565bef76109a579c39ec1dcb0ecf2 manual-4.0.pdf
-2db2261852a4d3a97547979f379dee94 gromacs-4.0.5.tar.gz
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