[autodocksuite] Initial import (#1067041)
nonamedotc
nonamedotc at fedoraproject.org
Tue Feb 25 19:42:29 UTC 2014
commit ee7d782d5a8423b0b19b07b281c54039aae1a793
Author: nonamedotc <nonamedotc at fedoraproject.org>
Date: Tue Feb 25 13:43:14 2014 -0600
Initial import (#1067041)
.gitignore | 1 +
autodocksuite.spec | 74 ++++++++++++++++++++++++++++++++++++++++++++++++++++
sources | 1 +
3 files changed, 76 insertions(+), 0 deletions(-)
---
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 <nonamedotc at fedoraproject.org> - 4.2.5.1-5
+- Spec file optimizations/corrections
+
+* Wed Feb 19 2014 Mukundan Ragavan <nonamedotc at fedoraproject.org> - 4.2.5.1-4
+- Fixed spec file problems
+- Removed ldconfig from post and postun
+- Removed export CFLAGS
+
+* Wed Feb 19 2014 Mukundan Ragavan <nonamedotc at fedoraproject.org> - 4.2.5.1-3
+- Added Requires for -doc subpackage
+
+* Tue Feb 18 2014 Mukundan Ragavan <nonamedotc at fedoraproject.org> - 4.2.5.1-2
+- Fixed spec file errors
+- Added files under doc and created -doc package
+
+* Mon Feb 17 2014 Mukundan Ragavan <nonamedotc at fedoraproject.org> - 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
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