207 lines
6.1 KiB
RPMSpec
207 lines
6.1 KiB
RPMSpec
%{!?python_sitelib: %global python_sitelib %(%{__python} -c "from distutils.sysconfig import get_python_lib; print get_python_lib()")}
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Name: apbs
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Summary: Adaptive Poisson Boltzmann Solver
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Version: 1.4
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Release: 2%{?dist}
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# License of pmgZ, aqua and contrib/blas/mblasd.f is LGPLv2+, the rest is BSD.
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License: LGPLv2+ and BSD
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Group: Applications/Engineering
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URL: http://apbs.sourceforge.net/
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Source0: http://downloads.sourceforge.net/apbs/APBS-%{version}-source.tar.gz
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Patch0: apbs-cmake.patch
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BuildRequires: cmake
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BuildRequires: doxygen
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BuildRequires: arpack-devel
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BuildRequires: atlas-devel
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BuildRequires: blas-devel
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BuildRequires: maloc-devel
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BuildRequires: zlib-devel
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%description
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APBS is a software package for the numerical solution of the
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Poisson-Boltzmann equation (PBE), one of the most popular continuum
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models for describing electrostatic interactions between molecular
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solutes in salty, aqueous media. APBS was designed to efficiently
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evaluate electrostatic properties for such simulations for a wide
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range of length scales to enable the investigation of molecules with
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tens to millions of atoms. It is also widely used in molecular
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visualization (in such applications as PyMOL).
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%package tools
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Summary: utility programs that utilize the APBS package
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Group: Applications/Engineering
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Requires: %{name} = %{version}-%{release}
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%description tools
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The apbs-tools package contains several utility programs for
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conversion, analysis and preparation of files that use the adaptive
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poisson boltzmann solver library.
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%package devel
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Summary: Libraries and header files for the APBS package
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Group: Development/Libraries
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Requires: %{name} = %{version}-%{release}
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%description devel
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The apbs-devel package contains the header files and libraries
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necessary for developing programs using the adaptive poisson boltzmann
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(APBS) solver library.
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%package doc
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Summary: Documentation for the APBS package
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Group: Applications/Engineering
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Requires: %{name} = %{version}-%{release}
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%description doc
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The apbs-doc package contains API reference inforemation for
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development using the adaptive poisson boltzmann (APBS) solver
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library.
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%prep
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%setup -q -n %{name}
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%patch0 -p0
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%build
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cd build
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%cmake -D BUILD_DOC:BOOL=ON ..
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make %{?_smp_mflags}
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%install
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rm -rf %{buildroot}
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cd build
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make install DESTDIR=%{buildroot}
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cd ..
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# tools
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for bin in %{buildroot}%{_bindir}/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} tools/manip/psize.py; do
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mv $bin %{buildroot}%{_bindir}/apbs-`basename $bin`
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done
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%clean
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rm -rf %{buildroot}
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%post -p /sbin/ldconfig
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%postun -p /sbin/ldconfig
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%files
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%defattr(-,root,root,-)
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%doc doc/license/LICENSE.txt README ChangeLog
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%{_bindir}/apbs
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%{_libdir}/libapbs*.so.*
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%files tools
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%defattr(-,root,root,-)
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%{_bindir}/apbs-psize.py
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%{_bindir}/apbs-coulomb
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%{_bindir}/apbs-born
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%{_bindir}/apbs-mgmesh
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%{_bindir}/apbs-dxmath
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%{_bindir}/apbs-mergedx2
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%{_bindir}/apbs-mergedx
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%{_bindir}/apbs-value
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%{_bindir}/apbs-uhbd_asc2bin
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%{_bindir}/apbs-smooth
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%{_bindir}/apbs-dx2mol
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%{_bindir}/apbs-dx2uhbd
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%{_bindir}/apbs-similarity
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%{_bindir}/apbs-multivalue
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%{_bindir}/apbs-benchmark
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%{_bindir}/apbs-analysis
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%{_bindir}/apbs-del2dx
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%{_bindir}/apbs-tensor2dx
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%files devel
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%defattr(-,root,root,-)
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%{_libdir}/libapbs*.so
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%{_includedir}/apbs
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%files doc
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%defattr(-,root,root,-)
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%doc doc/programmer/html
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%changelog
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* Fri Aug 15 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.4-2
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- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild
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* Thu Jun 19 2014 Tim Fenn <tim.fenn@gmail.com> - 1.4-1
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- update to 1.4
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* Wed Jun 18 2014 Tim Fenn <tim.fenn@gmail.com> - 1.3-8
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- fix for bug 1105956 (apbslib.c patch for format-security error)
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* Sat Jun 07 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.3-8
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- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild
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* Wed Oct 30 2013 Tim Fenn <tim.fenn@gmail.com> - 1.3-7
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- rebuild for atlas 3.10.1 (consolidates lapack and blas)
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* Sat Aug 03 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.3-6
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- Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild
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* Wed Feb 13 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.3-5
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- Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild
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* Wed Jul 18 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.3-4
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- Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild
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* Thu Jan 12 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.3-3
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- Rebuilt for https://fedoraproject.org/wiki/Fedora_17_Mass_Rebuild
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* Mon Feb 07 2011 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.3-2
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- Rebuilt for https://fedoraproject.org/wiki/Fedora_15_Mass_Rebuild
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* Mon Nov 15 2010 Tim Fenn <fenn@stanford.edu> - 1.3-1
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- update to 1.3
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* Wed Jul 21 2010 David Malcolm <dmalcolm@redhat.com> - 1.2.1-3
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- Rebuilt for https://fedoraproject.org/wiki/Features/Python_2.7/MassRebuild
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* Tue Dec 01 2009 Tim Fenn <fenn@stanford.edu> - 1.2.1-2
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- add RPM_OPT_FLAGS
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* Wed Nov 25 2009 Tim Fenn <fenn@stanford.edu> - 1.2.1-1
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- update to 1.2.1
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* Tue Nov 24 2009 Tim Fenn <fenn@stanford.edu> - 1.2.0-2
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- fix broken source
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* Thu Nov 04 2009 Tim Fenn <fenn@stanford.edu> - 1.2.0-1
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- update to 1.2.0
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* Mon Jul 27 2009 Tim Fenn <fenn@stanford.edu> - 1.1.0-7
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- remove python byte compiled files in bindir
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- loop to add tools
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* Sun Jul 26 2009 Tim Fenn <fenn@stanford.edu> - 1.1.0-6
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- remove check macro
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* Fri Jul 24 2009 Tim Fenn <fenn@stanford.edu> - 1.1.0-5
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- enable and add arpack, python to buildrequires, fix files section accordingly
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- add check macro
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- move tools to a subpackage
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- move doc into subpackage
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- spec cleanup
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* Thu Jul 23 2009 Tim Fenn <fenn@stanford.edu> - 1.1.0-4
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- merge aqua and pmgZ into libapbs
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* Fri Jul 10 2009 Tim Fenn <fenn@stanford.edu> - 1.1.0-3
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- separate aqua and pmgZ into separate libraries/packages
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- add maloc BuildRequires
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* Mon May 04 2009 Tim Fenn <fenn@stanford.edu> - 1.1.0-2
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- fix RPM_BUILD_ROOT
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- rename patches
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- add "-q" to setup
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- add README to doc
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- edit description
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- edit license
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* Fri Apr 24 2009 Tim Fenn <fenn@stanford.edu> - 1.1.0-1
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- initial build
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