Hello community, here is the log from the commit of package gromacs for openSUSE:Factory checked in at 2014-09-08 21:28:55 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/gromacs (Old) and /work/SRC/openSUSE:Factory/.gromacs.new (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "gromacs" Changes: -------- --- /work/SRC/openSUSE:Factory/gromacs/gromacs.changes 2014-02-11 11:19:38.000000000 +0100 +++ /work/SRC/openSUSE:Factory/.gromacs.new/gromacs.changes 2014-09-08 21:29:56.000000000 +0200 @@ -1,0 +2,6 @@ +Sat Sep 6 16:16:42 UTC 2014 - [email protected] + +- version bump to 5.0.1 +- Details: http://www.gromacs.org/About_Gromacs/Release_Notes/Versions_5.0.x + +------------------------------------------------------------------- @@ -9 +15 @@ -- version bumped to 4.5.6 +- version bumped to 4.6.5 Old: ---- gromacs-4.6.5.tar.gz manual-4.6.5.pdf regressiontests-4.6.5.tar.gz New: ---- gromacs-5.0.1.tar.gz manual-5.0.1.pdf regressiontests-5.0.1.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ gromacs.spec ++++++ --- /var/tmp/diff_new_pack.LlPjZm/_old 2014-09-08 21:30:06.000000000 +0200 +++ /var/tmp/diff_new_pack.LlPjZm/_new 2014-09-08 21:30:06.000000000 +0200 @@ -16,7 +16,7 @@ # Name: gromacs -Version: 4.6.5 +Version: 5.0.1 Release: 0 Summary: Molecular Dynamics Package License: GPL-2.0+ @@ -24,8 +24,10 @@ 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 -Source2: https://gromacs.googlecode.com/files/regressiontests-%{version}.tar.gz -BuildRequires: cmake +Source2: http://gerrit.gromacs.org/download/regressiontests-%{version}.tar.gz + +BuildRequires: gcc-c++ +BuildRequires: cmake >= 2.8.8 BuildRequires: fdupes BuildRequires: openmpi-devel %if %{defined fedora} @@ -115,19 +117,24 @@ %endif mkdir nompi openmpi cd nompi +# note about rpath +# gromacs' cmake has too rpath much auto-magin, just +# force to skip it (CMAKE_SKIP_RPATH=1) and use +# LD_LIBRARY_PATH for make check cmake \ - -DCMAKE_INSTALL_PREFIX=/usr \ + -DCMAKE_INSTALL_PREFIX=%{_prefix} \ -DCMAKE_VERBOSE_MAKEFILE=TRUE \ -DCMAKE_BUILD_TYPE=Release \ -DCMAKE_C_FLAGS_RELEASE:STRING="%{optflags} -fno-strict-aliasing" \ -DCMAKE_CXX_FLAGS_RELEASE:STRING="%{optflags}" \ - -DCMAKE_SKIP_INSTALL_RPATH=ON \ - -DGMX_CPU_ACCELERATION=%{acce} \ + -DCMAKE_SKIP_RPATH=1 \ + -DGMX_SIMD=%{acce} \ -DGMX_MPI=OFF \ -DGMX_THREAD_MPI=ON \ + -DGMX_SYMLINK_OLD_BINARY_NAMES=OFF \ -DGMX_OPENMP=ON \ -DREGRESSIONTEST_PATH="$PWD/../regressiontests-%{version}" \ - -DGMXLIB=%{_lib} \ + -DGMX_LIB_INSTALL_DIR=%{_lib} \ .. make %{?_smp_mflags} cd ../openmpi @@ -142,26 +149,27 @@ -DCMAKE_C_FLAGS_RELEASE:STRING="%{optflags} -fno-strict-aliasing" \ -DCMAKE_CXX_FLAGS_RELEASE:STRING="%{optflags}" \ -DCMAKE_SKIP_RPATH=1 \ - -DGMX_CPU_ACCELERATION=%{acce} \ + -DGMX_SIMD=%{acce} \ + -DGMX_BUILD_MDRUN_ONLY=ON \ -DGMX_MPI=ON \ + -DGMX_SYMLINK_OLD_BINARY_NAMES=OFF \ -DGMX_OPENMP=ON \ - -DGMXLIB=%{_lib} \ + -DGMX_LIB_INSTALL_DIR=%{_lib} \ .. -#only mdrun uses mpi, change for gromacs>=5.0 -make %{?_smp_mflags} mdrun +make %{?_smp_mflags} %install make -C nompi install DESTDIR=%{buildroot} -make -C openmpi install-mdrun DESTDIR=%{buildroot} +make -C openmpi install DESTDIR=%{buildroot} %fdupes %{buildroot}%{_prefix} #not need when installed in /usr rm -f %{buildroot}%{_bindir}/GMXRC* # Move bash completion file to correct location mkdir -p %{buildroot}%{_sysconfdir}/bash_completion.d -cp %{buildroot}%{_bindir}/completion.bash %{buildroot}%{_sysconfdir}/bash_completion.d/gromacs -#TODO make a csh and zsh completion in the future maybe -rm -f %{buildroot}%{_bindir}/completion.* +#concatenate all gmx-completion*, starting with gmx-completion.bash (fct defs) +cat %{buildroot}%{_bindir}/gmx-completion{,?*}.bash > %{buildroot}%{_sysconfdir}/bash_completion.d/gromacs +rm -f %{buildroot}%{_bindir}/gmx-completion* cp %{S:1} %{buildroot}%{_datadir}/gromacs @@ -169,12 +177,10 @@ %if %{defined fedora} %{_openmpi_unload} %endif -make -C nompi check +LD_LIBRARY_PATH=%{buildroot}/%{_libdir} make -C nompi %{?_smp_mflags} check %post -p /sbin/ldconfig %postun -p /sbin/ldconfig -%post openmpi -p /sbin/ldconfig -%postun openmpi -p /sbin/ldconfig %files %defattr(-,root,root,-) @@ -185,7 +191,6 @@ %exclude %{_datadir}/gromacs/template %exclude %{_datadir}/gromacs/*.pdf %{_libdir}/lib*.so.* -%exclude %{_libdir}/lib*_mpi.so.* %{_mandir}/man1/* %{_mandir}/man7/* @@ -197,7 +202,6 @@ %files openmpi %defattr(-,root,root,-) %{_bindir}/*_mpi -%{_libdir}/lib*_mpi.so.* %files devel %defattr(-,root,root) @@ -209,3 +213,5 @@ %files bash %defattr(-,root,root,-) %config %{_sysconfdir}/bash_completion.d/gromacs + +%changelog ++++++ gromacs-4.6.5.tar.gz -> gromacs-5.0.1.tar.gz ++++++ /work/SRC/openSUSE:Factory/gromacs/gromacs-4.6.5.tar.gz /work/SRC/openSUSE:Factory/.gromacs.new/gromacs-5.0.1.tar.gz differ: char 5, line 1 ++++++ manual-4.6.5.pdf -> manual-5.0.1.pdf ++++++ (binary differes) ++++++ regressiontests-4.6.5.tar.gz -> regressiontests-5.0.1.tar.gz ++++++ /work/SRC/openSUSE:Factory/gromacs/regressiontests-4.6.5.tar.gz /work/SRC/openSUSE:Factory/.gromacs.new/regressiontests-5.0.1.tar.gz differ: char 13, line 1 -- To unsubscribe, e-mail: [email protected] For additional commands, e-mail: [email protected]
