From ee7d782d5a8423b0b19b07b281c54039aae1a793 Mon Sep 17 00:00:00 2001 From: nonamedotc Date: Feb 25 2014 19:43:14 +0000 Subject: Initial import (#1067041) --- diff --git a/.gitignore b/.gitignore index e69de29..6898173 100644 --- a/.gitignore +++ b/.gitignore @@ -0,0 +1 @@ +/autodocksuite-4.2.5.1-src.tar.gz diff --git a/autodocksuite.spec b/autodocksuite.spec new file mode 100644 index 0000000..25648d5 --- /dev/null +++ b/autodocksuite.spec @@ -0,0 +1,74 @@ +Name: autodocksuite +Version: 4.2.5.1 +Release: 5%{?dist} +Summary: AutoDock is a suite of docking tools to study protein-ligand interaction + +License: GPLv2 +URL: http://autodock.scripps.edu/ +Source0: http://autodock.scripps.edu/downloads/autodock-registration/tars/dist4251/%{name}-%{version}-src.tar.gz + +BuildRequires: csh + +%description +AutoDock is a suite of automated docking tools. It is designed to predict \ +how small molecules, such as substrates or drug candidates, bind to a \ +receptor of known 3D structure. AutoDock 4 actually consists of two main \ +programs: autodock performs the docking of the ligand to a set of grids \ +describing the target protein; autogrid pre-calculates these grids. In \ +addition to using them for docking, the atomic affinity grids can be \ +visualized. This can help, for example, to guide organic synthetic chemists \ +design better binders. + +%package doc +Summary: Documentation files for %{name} +BuildArch: noarch + + +%description doc +This package contains the AutoDock user guide as supplied by upstream\ +developers. + +%prep +%setup -q -n src + +%build + +pushd autodock +%configure +make %{?_smp_mflags} +popd + +pushd %{_builddir}/src/autogrid +%configure +make V=1 %{?_smp_mflags} + +%install +make -C autodock install DESTDIR=%{buildroot} +make -C autogrid install DESTDIR=%{buildroot} + +%files +%doc autodock/COPYING +%{_bindir}/autodock4 +%{_bindir}/autogrid4 + +%files doc +%doc README USERGUIDES/AutoDock4.2_UserGuide.pdf + +%changelog +* Thu Feb 20 2014 Mukundan Ragavan - 4.2.5.1-5 +- Spec file optimizations/corrections + +* Wed Feb 19 2014 Mukundan Ragavan - 4.2.5.1-4 +- Fixed spec file problems +- Removed ldconfig from post and postun +- Removed export CFLAGS + +* Wed Feb 19 2014 Mukundan Ragavan - 4.2.5.1-3 +- Added Requires for -doc subpackage + +* Tue Feb 18 2014 Mukundan Ragavan - 4.2.5.1-2 +- Fixed spec file errors +- Added files under doc and created -doc package + +* Mon Feb 17 2014 Mukundan Ragavan - 4.2.5.1-1 +- Initial package diff --git a/sources b/sources index e69de29..400500a 100644 --- a/sources +++ b/sources @@ -0,0 +1 @@ +82b44c62771bcf0bece0401d37a3e83a autodocksuite-4.2.5.1-src.tar.gz