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openSUSE:12.2
gromacs
gromacs.spec
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File gromacs.spec of Package gromacs
# # spec file for package gromacs # # Copyright (c) 2011 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/ # Name: gromacs BuildRequires: cmake fftw3-devel libxml2-devel xorg-x11-devel BuildRequires: gcc-c++ libstdc++-devel %if 0%{?suse_version} > 1010 BuildRequires: fdupes %endif Version: 4.5.5 Release: 1 Summary: Molecular Dynamics Package Url: http://www.gromacs.org License: GPL-2.0+ Group: Productivity/Scientific/Chemistry Source0: gromacs-%{version}.tar.bz2 BuildRoot: %{_tmppath}/%{name}-%{version}-build %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. %package devel License: GPL-2.0+ Summary: Molecular dynamics package Group: Productivity/Scientific/Chemistry Requires: %{name} = %{version} fftw3-devel glibc-devel xorg-x11-devel %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. %prep %setup -q %build %if 0%{?fedora} export RPM_OPT_FLAGS="$RPM_OPT_FLAGS -DFEDORA" %endif mkdir build cd build cmake \ -DCMAKE_INSTALL_PREFIX=/usr \ -DCMAKE_VERBOSE_MAKEFILE=TRUE \ -DCMAKE_BUILD_TYPE=Release \ -DCMAKE_C_FLAGS_RELEASE:STRING="$RPM_OPT_FLAGS -fno-strict-aliasing" \ -DCMAKE_CXX_FLAGS_RELEASE:STRING="$RPM_OPT_FLAGS" \ -DCMAKE_SKIP_RPATH=1 \ -DPACKAGE_ARCHITECTURE=uname -m \ -DLIB=%{_lib} \ -DGMXLIB=%{_lib} \ .. make %install cd build make DESTDIR=${RPM_BUILD_ROOT} install %{__rm} -f %{buildroot}%{_libdir}/*.la %if 0%{?suse_version} > 1010 %fdupes %{buildroot}/usr/share/gromacs %endif %post -p /sbin/ldconfig %postun -p /sbin/ldconfig %files %defattr(-,root,root) %{_bindir}/* %dir %{_datadir}/gromacs %{_datadir}/gromacs/top %{_datadir}/gromacs/tutor %docdir %{_datadir}/gromacs/html %{_datadir}/gromacs/html/ %{_mandir}/man1/* %{_mandir}/man7/* %{_libdir}/libgmx.so.* %{_libdir}/libgmxana.so.* %{_libdir}/libmd.so.* %{_libdir}/libgmxpreprocess.so.* %files devel %defattr(644,root,root,755) %{_datadir}/gromacs/template %{_libdir}/*.so %dir %{_includedir}/gromacs %{_includedir}/gromacs/* %{_libdir}/pkgconfig/* %changelog
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