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DISCONTINUED:openSUSE:11.1:Update
gromacs
gromacs.spec
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File gromacs.spec of Package gromacs
# # spec file for package gromacs (Version 3.3.1) # # Copyright (c) 2008 SUSE LINUX Products GmbH, Nuernberg, Germany. # # All modifications and additions to the file contributed by third parties # remain the property of their copyright owners, unless otherwise agreed # upon. The license for this file, and modifications and additions to the # file, is the same license as for the pristine package itself (unless the # license for the pristine package is not an Open Source License, in which # case the license is the MIT License). An "Open Source License" is a # license that conforms to the Open Source Definition (Version 1.9) # published by the Open Source Initiative. # Please submit bugfixes or comments via http://bugs.opensuse.org/ # # norootforbuild Name: gromacs BuildRequires: fftw3-devel xorg-x11-devel Version: 3.3.1 Release: 164 Summary: Molecular Dynamics Package Url: http://www.gromacs.org License: GPL v2 or later Group: Productivity/Scientific/Chemistry AutoReqProv: on Source0: gromacs-%{version}.tar.bz2 Patch: gromacs-%{version}.dif BuildRoot: %{_tmppath}/%{name}-%{version}-build Prefix: /usr %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 version has the dynamic libs and executables; to hack new utility programs you also need the headers and static libs in gromacs-dev. Linux kernel 2.4 or later is STRONGLY recommended on Pentium III and later processors since GROMACS then can use assembly loops with SSE instructions. Authors: -------- David van der Spoel <spoel@gromacs.org> Berk Hess <hess@gromacs.org> Erik Lindahl <lindahl@gromacs.org> %package devel License: GPL v2 or later Summary: Molecular dynamics package Group: Productivity/Scientific/Chemistry Prefix: %{prefix} Requires: fftw3-devel glibc-devel xorg-x11-devel Requires: gromacs %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 version has the dynamic libs and executables; to hack new utility programs you also need the headers and static libs in gromacs-dev. Linux kernel 2.4 or later is STRONGLY recommended on Pentium III and later processors since GROMACS then can use assembly loops with SSE instructions. Authors: -------- David van der Spoel <spoel@gromacs.org> Berk Hess <hess@gromacs.org> Erik Lindahl <lindahl@gromacs.org> %prep %setup %patch %build autoreconf --force --install %{?suse_update_config:%{suse_update_config -f}} export CFLAGS="$RPM_OPT_FLAGS -fno-strict-aliasing" export CXXFLAGS="$RPM_OPT_FLAGS -fno-strict-aliasing" ./configure --enable-shared --prefix=%{prefix} --exec-prefix=%{prefix} --libdir=%{prefix}/%{_lib} --mandir=%{prefix}/share/man --datadir=%{prefix}/share --without-motif-libraries make %install make DESTDIR=${RPM_BUILD_ROOT} install mv ${RPM_BUILD_ROOT}/usr/share/man/man1/disco.1 ${RPM_BUILD_ROOT}/usr/share/man/man1/g_disco.1 %clean rm -rf $RPM_BUILD_ROOT %post %run_ldconfig %postun %run_ldconfig %files %defattr(-,root,root) %{prefix}/bin/* %dir %{prefix}/share/gromacs %{prefix}/share/gromacs/top %{prefix}/share/gromacs/tutor %docdir %{prefix}/share/gromacs/html %{prefix}/share/gromacs/html/ %{prefix}/share/man/man1/* %{prefix}/%{_lib}/libgmx.so.* %{prefix}/%{_lib}/libgmxana.so.* %{prefix}/%{_lib}/libmd.so.* %files devel %defattr(644,root,root,755) %{prefix}/share/gromacs/template %{prefix}/%{_lib}/libgmx.so %{prefix}/%{_lib}/libgmx.a %{prefix}/%{_lib}/libgmx.la %{prefix}/%{_lib}/libgmxana.a %{prefix}/%{_lib}/libgmxana.la %{prefix}/%{_lib}/libgmxana.so %{prefix}/%{_lib}/libmd.so %{prefix}/%{_lib}/libmd.a %{prefix}/%{_lib}/libmd.la %dir %{prefix}/include/gromacs %{prefix}/include/gromacs/* %changelog * Tue Oct 07 2008 kkaempf@suse.de - Fix buffer overflow (gcc static detection) in calcmu.c * Mon Oct 16 2006 schwab@suse.de - Use install-exec-hook instead of install-hook. - Use AM_PROG_AS. * Wed Jul 19 2006 kkaempf@suse.de - update to 3.3.1 see http://www.gromacs.org for a complete list of changes. * Mon Jun 19 2006 schwab@suse.de - Set datadir. * Wed Jan 25 2006 mls@suse.de - converted neededforbuild to BuildRequires * Mon Dec 19 2005 ro@suse.de - added .so symlink to filelist * Wed Aug 11 2004 kkaempf@suse.de - bugfix update to 3.2.1 * Mon Feb 23 2004 kkaempf@suse.de - rename 'disco' to 'g_disco' to avoid nameclash with package mono - build with -fno-strict-aliasing - return value from main() * Tue Feb 17 2004 kkaempf@suse.de - remove obsolete libtool from "configure.ac". - use proper automake syntax in "acinclude.m4". - add missing FF.dat as advised on gromacs-users mailing list. * Tue Feb 03 2004 kkaempf@suse.de - update to 3.2 * Sat Jan 10 2004 adrian@suse.de - add %%run_ldconfig * Fri Jun 13 2003 kukuk@suse.de - Add missing directories to filelist and fix permissions * Thu Nov 21 2002 ro@suse.de - work around automake problem * Fri Nov 15 2002 uli@suse.de - removed lesstif from neededforbuild (not used) * Tue Nov 12 2002 ro@suse.de - changed neededforbuild <xf86 xshared xdevel> to <x-devel-packages> * Tue Oct 29 2002 ro@suse.de - removed own libtool hacks from acinclude.m4 * Mon Jul 29 2002 kkaempf@suse.de - Initial version 3.1.4
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