From 87967e1715a115bb08b44eb0122fb7af9b3b840b Mon Sep 17 00:00:00 2001 From: Till Maas Date: Nov 04 2014 07:05:39 +0000 Subject: 2014-11-04: Retired because it was orphaned for 6 or more weeks --- diff --git a/.gitignore b/.gitignore deleted file mode 100644 index 6d7c4e1..0000000 --- a/.gitignore +++ /dev/null @@ -1,12 +0,0 @@ -towhee-6.2.11.tar.gz -/towhee-6.2.12.tar.gz -/towhee-6.2.14.tar.gz -/towhee-6.2.15.tar.gz -/towhee-6.2.16.tar.gz -/towhee-6.2.17.tar.gz -/towhee-6.2.18.tar.gz -/towhee-6.2.19.tar.gz -/towhee-7.0.0.tar.gz -/towhee-7.0.1.tar.gz -/towhee-7.0.4.tar.gz -/towhee-7.0.5.tar.gz diff --git a/dead.package b/dead.package new file mode 100644 index 0000000..73d721c --- /dev/null +++ b/dead.package @@ -0,0 +1,2 @@ +2014-11-04: Retired because it was orphaned for 6 or more weeks + diff --git a/sources b/sources deleted file mode 100644 index 88d2057..0000000 --- a/sources +++ /dev/null @@ -1 +0,0 @@ -cad9f4813a6c5aaefc7445ffc83a75a8 towhee-7.0.5.tar.gz diff --git a/towhee.spec b/towhee.spec deleted file mode 100644 index 0eb7910..0000000 --- a/towhee.spec +++ /dev/null @@ -1,328 +0,0 @@ -Name: towhee -Version: 7.0.5 -Release: 5%{?dist} -Summary: A Monte Carlo molecular simulation code -Group: Applications/Engineering -License: GPLv2+ -URL: http://towhee.sourceforge.net/ -Source0: http://downloads.sourceforge.net/%{name}/%{name}-%{version}.tar.gz -BuildRoot: %(mktemp -ud %{_tmppath}/%{name}-%{version}-%{release}-XXXXXX) -Requires: towhee-common = %{version}-%{release} - -# Bug 502883 -# Error: operand out of range (0x0000000000008008 is not between 0xffffffffffff8000 and 0x0000000000007fff) -# -mminimal-toc doesn't help -ExcludeArch: ppc64 - -BuildRequires: gcc-gfortran -BuildRequires: openmpi-devel -BuildRequires: mpich-devel - -%description -Towhee is a Monte Carlo molecular simulation code originally designed for the -prediction of fluid phase equilibria using atom-based force fields and the -Gibbs ensemble with particular attention paid to algorithms addressing -molecule conformation sampling. The code has subsequently been extended to -several ensembles, many different force fields, and solid (or at least porous) -phases. - -This package contains binaries for serial operation and the utilities. - -N.B. Due to some general names the utilities have a towhee- prefix, e.g. -analyse_movie is now towhee-analyse_movie. - - -%package openmpi -Summary: Towhee, Open MPI version -Group: Applications/Engineering -Requires: towhee-common = %{version}-%{release} -Obsoletes: towhee-mpi < %{version}-%{release} -Provides: towhee-mpi = %{version}-%{release} -Requires: openmpi - -%description openmpi -This package contains MPI enabled binaries of Towhee, compiled against -Open MPI. - -If you want the analysis tools, install the towhee package. - -%package mpich -Summary: Towhee, MPICH version -Group: Applications/Engineering -Requires: towhee-common = %{version}-%{release} -Requires: mpich -Provides: %{name}-mpich2 = %{version}-%{release} -Obsoletes: %{name}-mpich2 < 7.0.4-3 - -%description mpich -This package contains MPI enabled binaries of Towhee, compiled against MPICH. - -If you want the analysis tools, install the towhee package. - - -%package common -Summary: Towhee common files -Group: Applications/Engineering -# So that the package gets removed with the binaries -Requires: %{name} = %{version}-%{release} -BuildArch: noarch - -%description common -This package contains files needed for operation of Towhee. - -%package doc -Summary: Towhee manual -Group: Applications/Engineering -BuildArch: noarch - -%description doc -This package contains the HTML manual for Towhee. - -%package examples -Summary: Towhee examples -Group: Applications/Engineering -BuildArch: noarch - -%description examples -This package contains examples for Towhee operation. - -%prep -%setup -q -# Get rid of spurious executable flags -find ForceFields/ -type f -exec chmod 644 {} \; -find Examples/ -type f -exec chmod 644 {} \; - -# Fix Force field locations in examples -for file in Examples/*/towhee_input; do - sed "s|/towheebase/ForceFields|%{_datadir}/%{name}/ForceFields|g" $file > $file.new && \ - touch -r $file $file.new && \ - mv $file.new $file -done - -%build -## Build the main binaries -# Use gfortran, not g77. -export F77=gfortran - -## Build serial version -mkdir nompi -cd nompi -ln -s ../configure . -%configure -make %{?_smp_mflags} - -# Utilities -cd Utils -make %{?_smp_mflags} -cd .. - -cd .. - -## Build parallel versions -# Use mpif90 to build -export F77=mpif90 - -%{_openmpi_load} -mkdir openmpi -cd openmpi -ln -s ../configure . -%configure --enable-mpi --program-suffix=${MPI_SUFFIX} -make %{?_smp_mflags} -cd .. -%{_openmpi_unload} - -%{_mpich_load} -mkdir mpich -cd mpich -ln -s ../configure . -%configure --enable-mpi --program-suffix=${MPI_SUFFIX} -make %{?_smp_mflags} -cd .. -%{_mpich_unload} - - -%install -rm -rf %{buildroot} -# Install binaries -make -C openmpi install DESTDIR=%{buildroot} bindir=%{_libdir}/openmpi/bin INSTALL="install -p" -make -C mpich install DESTDIR=%{buildroot} bindir=%{_libdir}/mpich/bin INSTALL="install -p" -make -C nompi install DESTDIR=%{buildroot} INSTALL="install -p" - -# Install force fields -find ForceFields/ -name "Makefile*" -exec rm {} \; -mkdir -p %{buildroot}%{_datadir}/%{name} -cp -a ForceFields %{buildroot}%{_datadir}/%{name} - -# Remove makefiles from the examples & remove executable permissions -find Manual/ -name "Makefile*" -exec rm {} \; -find Examples/ -name "Makefile*" -exec rm {} \; - -# Rename utilities -for bin in {analyse_{movie,histogram},car2towhee,charmm2pdb,{faux,pdb,xmd,xtl,xyz}2towhee,fitcoex,jre_to_towhee,maftodensity,rdf2pmfpair,unitcell}; do - mv %{buildroot}%{_bindir}/$bin %{buildroot}%{_bindir}/towhee-$bin -done -# Remove mpi versions of the utilities -for mpi in openmpi mpich; do - for bin in {analyse_{movie,histogram},car2towhee,charmm2pdb,{faux,pdb,xmd,xtl,xyz}2towhee,fitcoex,jre_to_towhee,maftodensity,rdf2pmfpair,unitcell}; do - rm %{buildroot}%{_libdir}/$mpi/bin/${bin}_${mpi} - done -done - -%clean -rm -rf %{buildroot} - -%files -%defattr(-,root,root,-) -%doc license.gpl -%{_bindir}/forcefield -%{_bindir}/towhee -# Utils -%{_bindir}/towhee-* - -%files openmpi -%defattr(-,root,root,-) -%{_libdir}/openmpi/bin/*_openmpi - -%files mpich -%defattr(-,root,root,-) -%{_libdir}/mpich/bin/*_mpich - -%files common -%defattr(-,root,root,-) -%doc license.gpl -%{_datadir}/%{name}/ - -%files doc -%defattr(-,root,root,-) -%doc Manual/projects/towhee/* - -%files examples -%defattr(-,root,root,-) -%doc Examples/* - -%changelog -* Mon Aug 18 2014 Fedora Release Engineering - 7.0.5-5 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild - -* Sun Jun 08 2014 Fedora Release Engineering - 7.0.5-4 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild - -* Sat Feb 22 2014 Deji Akingunola - 7.0.5-3 -- Rebuild for mpich-3.1 - -* Sun Aug 04 2013 Fedora Release Engineering - 7.0.5-2 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild - -* Tue Jul 23 2013 Susi Lehtola - 7.0.5-1 -- Update to 7.0.5. - -* Sat Jul 20 2013 Deji Akingunola - 7.0.4-3 -- Rename mpich2 sub-packages to mpich and rebuild for mpich-3.0 - -* Fri Feb 15 2013 Fedora Release Engineering - 7.0.4-2.1 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild - -* Fri Nov 02 2012 Jussi Lehtola - 7.0.4-1.1 -- Bump due to MPICH2 update. - -* Wed Sep 26 2012 Jussi Lehtola - 7.0.4-1 -- Update to 7.0.4. - -* Sat Jul 21 2012 Fedora Release Engineering - 7.0.1-3 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild - -* Sat Jan 14 2012 Fedora Release Engineering - 7.0.1-2 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_17_Mass_Rebuild - -* Sun Aug 21 2011 Jussi Lehtola - 7.0.1-1 -- Update to 7.0.1. - -* Thu Aug 18 2011 Jussi Lehtola - 7.0.0-1 -- Update to 7.0.0. - -* Wed Aug 17 2011 Jussi Lehtola - 6.2.19-1 -- Update to 6.2.19. - -* Mon Aug 08 2011 Jussi Lehtola - 6.2.18-1 -- Update to 6.2.18. - -* Sat Aug 06 2011 Jussi Lehtola - 6.2.17-1 -- Update to 6.2.17. - -* Wed Aug 03 2011 Jussi Lehtola - 6.2.16-2 -- Workaround broken MPICH2. - -* Wed Aug 03 2011 Jussi Lehtola - 6.2.16-1 -- Update to 6.2.16. - -* Wed Mar 30 2011 Deji Akingunola - 6.2.15-3 -- Rebuild for mpich2 soname bump - -* Wed Feb 09 2011 Fedora Release Engineering - 6.2.15-2 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_15_Mass_Rebuild - -* Sun Feb 06 2011 Jussi Lehtola - 6.2.15-1 -- Update to 6.2.15. - -* Fri Dec 10 2010 Jussi Lehtola - 6.2.14-1 -- Update to 6.2.14. - -* Mon Oct 25 2010 Jussi Lehtola - 6.2.12-2 -- Bump spec due to upgrades of MPICH2 and OpenMPI. - -* Wed Aug 18 2010 Jussi Lehtola - 6.2.12-1 -- Update to 6.2.12. - -* Sat Jul 24 2010 Jussi Lehtola - 6.2.11-1 -- Update to 6.2.11. - -* Sat Jun 19 2010 Jussi Lehtola - 6.2.9-1 -- Update to 6.2.9. - -* Sat Dec 19 2009 Jussi Lehtola - 6.2.7-1 -- Adopt MPI guidelines, fixing FTBFS in rawhide. - -* Fri Oct 23 2009 Jussi Lehtola - 6.2.6-4 -- Fix FTBFS problem caused by behaviour change of openmpi. - -* Sun Jul 26 2009 Fedora Release Engineering - 6.2.6-3 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_12_Mass_Rebuild - -* Thu Jul 16 2009 Jussi Lehtola - 6.2.6-1 -- Restore ExcludeArch: ppc64. - -* Thu Jul 16 2009 Jussi Lehtola - 6.2.6-1 -- Update to upstream 6.2.6. - -* Wed Jun 17 2009 Jussi Lehtola - 6.2.5-1 -- Update to upstream 6.2.5, which fixes the naming bug of fitcoex in 6.2.4. - -* Tue Jun 16 2009 Jussi Lehtola - 6.2.4-1 -- Update to upstream 6.2.4, which adds utilities. - -* Wed May 27 2009 Jussi Lehtola - 6.2.3-5 -- ExcludeArch: ppc64 which is not working due to operand out of range error. - See RHBZ #502883. - -* Wed May 27 2009 Jussi Lehtola - 6.2.3-4 -- Fix MPI build on rawhide. - -* Wed May 27 2009 Jussi Lehtola - 6.2.3-3 -- Fix build in rawhide. - -* Mon May 25 2009 Jussi Lehtola - 6.2.3-2 -- Split examples into own subpackage. -- Make examples and doc noarch on >=F11. - -* Fri May 01 2009 Jussi Lehtola - 6.2.3-1 -- Update to 6.2.3 that fixes shebangs and executable bit problems. - -* Thu Apr 30 2009 Jussi Lehtola - 6.2.2-3 -- Removed Makefiles also from ForceFields. - -* Wed Apr 29 2009 Jussi Lehtola - 6.2.2-2 -- Changed defines to globals. -- Added missing BR: openmpi-devel. - -* Wed Apr 29 2009 Jussi Lehtola - 6.2.2-1 -- First release.