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5 changed files with 1 additions and 239 deletions
2
.gitignore
vendored
2
.gitignore
vendored
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@ -1,2 +0,0 @@
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wannier90-1.2.tar.gz
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/wannier90-2.0.0.tar.gz
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1
dead.package
Normal file
1
dead.package
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@ -0,0 +1 @@
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Orphaned for 6+ weeks
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1
sources
1
sources
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@ -1 +0,0 @@
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c5e120daa414ab6546bdd549675a23e8 wannier90-2.0.0.tar.gz
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@ -1,44 +0,0 @@
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diff -up wannier90-2.0.0/src/Makefile.2.sharedlib wannier90-2.0.0/src/Makefile.2
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--- wannier90-2.0.0/src/Makefile.2.sharedlib 2013-09-27 12:57:19.000000000 +0300
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+++ wannier90-2.0.0/src/Makefile.2 2013-10-15 12:33:52.732150271 +0300
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@@ -8,9 +8,9 @@ OBJS = constants.o io.o utility.o para
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OBJS2 = wannier_lib.o
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-OBJS_POST = parameters.o kmesh.o io.o comms.o utility.o get_oper.o constants.o postw90_common.o wan_ham.o spin.o dos.o berry.o kpath.o kslice.o boltzwann.o geninterp.o
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+OBJS_POST = comms.o get_oper.o postw90_common.o wan_ham.o spin.o dos.o berry.o kpath.o kslice.o boltzwann.o geninterp.o
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-LIBRARY = ../../libwannier.a
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+LIBRARY = ../../libwannier.so
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POSTDIR = ../postw90/
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@@ -39,15 +39,15 @@ serialobjs: $(OBJS)
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../../w90chk2chk.x: $(OBJS) ../w90chk2chk.F90
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$(COMPILER) ../w90chk2chk.F90 $(LDOPTS) $(OBJS) $(LIBS) -o ../../w90chk2chk.x
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-../../wannier90.x: $(OBJS) ../wannier_prog.F90
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- $(COMPILER) ../wannier_prog.F90 $(LDOPTS) $(OBJS) $(LIBS) -o ../../wannier90.x
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+../../wannier90.x: $(OBJS) ../wannier_prog.F90 $(LIBRARY)
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+ $(COMPILER) ../wannier_prog.F90 $(LDOPTS) -L../.. -lwannier -o ../../wannier90.x
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post: POSTOPTS = $(TEMP1)
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post: COMPILER = $(TEMP2)
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post: mpi_test ../../postw90.x
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-../../postw90.x: $(OBJS_POST) $(POSTDIR)postw90.F90
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- $(COMPILER) $(POSTDIR)postw90.F90 $(POSTOPTS) $(LDOPTS) $(OBJS_POST) $(LIBS) -o ../../postw90.x
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+../../postw90.x: $(OBJS_POST) $(POSTDIR)postw90.F90 $(LIBRARY)
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+ $(COMPILER) $(POSTDIR)postw90.F90 $(POSTOPTS) $(LDOPTS) $(OBJS_POST) -L../.. -lwannier $(LIBS) -o ../../postw90.x
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mpi_test :
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ifeq ($(COMMS),mpi)
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@@ -72,7 +72,7 @@ endif
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libs: $(LIBRARY)
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$(LIBRARY): $(OBJS) $(OBJS2)
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- $(AR) $(ARFLAGS) $(LIBRARY) $(OBJS2) $(OBJS)
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+ $(F90) $(FCOPTS) -shared -o $(LIBRARY) $(OBJS2) $(OBJS) $(LIBS)
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clean:
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rm -f *.o *.mod *.MOD *.obj
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192
wannier90.spec
192
wannier90.spec
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@ -1,192 +0,0 @@
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Name: wannier90
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Version: 2.0.0
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Release: 1%{?dist}
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Summary: Maximally-localised Wannier functions
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Group: Applications/Engineering
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License: GPLv2+
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URL: http://www.wannier.org/
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Source0: http://www.wannier.org/code/%{name}-%{version}.tar.gz
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# Patch to enable building of shared library
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Patch0: wannier90-2.0.0-sharedlib.patch
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BuildRoot: %(mktemp -ud %{_tmppath}/%{name}-%{version}-%{release}-XXXXXX)
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BuildRequires: gcc-gfortran
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# For test phase
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BuildRequires: perl(Cwd)
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# Linear algebra: use ATLAS
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BuildRequires: atlas-devel
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# For documentation
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BuildRequires: tex(latex)
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BuildRequires: ghostscript
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%if 0%{?fedora} > 17
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BuildRequires: tex(a4wide.sty)
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BuildRequires: tex(multirow.sty)
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BuildRequires: tex(groff.enc)
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%endif
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%description
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Wannier90 is a program for calculating maximally-localised Wannier functions
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(MLWF) from a set of Bloch energy bands that may or may not be attached to or
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mixed with other bands. The formalism works by minimising the total spread of
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the MLWF in real space. This is done in the space of unitary matrices that
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describe rotations of the Bloch bands at each k-point. As a result, wannier90
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is independent of the basis set used in the underlying calculation to obtain
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the Bloch states. Therefore, it may be interfaced straightforwardly to any
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electronic structure code. The locality of MLWF can be exploited to compute
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band-structure, density of states and Fermi surfaces at modest computational
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cost.
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Furthermore, wannier90 is able to output MLWF for visualisation and other
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post-processing purposes. Wannier functions are already used in a wide variety
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of applications. These include analysis of chemical bonding in real space;
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calculation of dielectric properties via the modern theory of polarisation;
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and as an accurate and minimal basis set in the construction of model
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Hamiltonians for large-scale systems, in linear-scaling quantum Monte Carlo
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calculations, and for efficient computation of material properties, such as
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the anomalous Hall coefficient.
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%package devel
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Summary: Development modules for Wannier90
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Group: Development/Languages
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Requires: %{name} = %{version}-%{release}
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%description devel
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This package contains Fortran modules for Wannier90.
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%package doc
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Summary: Documentation for Wannier90
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Group: Documentation
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%if 0%{?fedora} > 10 || 0%{?rhel} > 5
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BuildArch: noarch
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%endif
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%description doc
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This package contains the tutorial and user's guide for Wannier90.
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%prep
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%setup -q
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%patch0 -p1 -b .sharedlib
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# Remove executable flag from utility that is included in doc
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chmod 644 utility/kmesh.pl
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# Convert documentation
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for file in CHANGE.log; do
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sed "s|\r||g" $file > $file.new && \
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touch -r $file $file.new && \
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mv $file.new $file
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done
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%build
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# Generate make.sys
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echo "F90 = gfortran" > make.sys
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echo "FCOPTS = %{optflags} -fPIC" >> make.sys
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echo "LDOPTS = %{optflags} -fPIC" >> make.sys
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# Use ATLAS
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%if 0%{?fedora} >= 20 || 0%{?rhel} >= 7
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echo "LIBS = -L%{_libdir}/atlas -lsatlas" >> make.sys
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%else
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echo "LIBS = -L%{_libdir}/atlas -llapack -lf77blas -latlas" >> make.sys
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%endif
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# Use reference LAPACK
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#echo "LIBS = -lblas -llapack" >> make.sys
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make -C src %{?_smp_mflags}
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# Build documentation
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make -C doc/user_guide
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make -C doc/tutorial
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%install
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rm -rf %{buildroot}
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# Binary & library
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install -D -p -m 755 wannier90.x %{buildroot}%{_bindir}/wannier90.x
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install -D -p -m 755 postw90.x %{buildroot}%{_bindir}/postw90.x
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# Must install as executable so that find-debuginfo catches this
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install -D -p -m 755 libwannier.so %{buildroot}%{_libdir}/libwannier.so
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# Fortran module files
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mkdir -p %{buildroot}%{_fmoddir}
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install -p -m 644 src/obj/*.mod %{buildroot}%{_fmoddir}/
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%clean
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rm -rf %{buildroot}
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%check
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# Set path so that wannier finds its library
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export LD_LIBRARY_PATH=`pwd`
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make test
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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 CHANGE.log LICENCE README utility/ examples/
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%{_bindir}/wannier90.x
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%{_bindir}/postw90.x
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%{_libdir}/libwannier.so
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%files devel
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%defattr(-,root,root,-)
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%{_fmoddir}/w90_*.mod
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%files doc
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%defattr(-,root,root,-)
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%doc doc/tutorial.pdf doc/user_guide.pdf
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%changelog
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* Tue Oct 15 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.0-1
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- Update to 2.0.0.
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* Mon Sep 23 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.2-9
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- Rebuild against new ATLAS.
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* Sun Aug 04 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.2-8
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- Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild
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* Wed Mar 06 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.2-7
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- Fix FTBFS in rawhide.
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* Fri Feb 15 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.2-6
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- Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild
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* Sun Jul 22 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.2-5
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||||
- Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild
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||||
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||||
* Sat Jan 14 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.2-4
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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> - 1.2-3
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- Rebuilt for https://fedoraproject.org/wiki/Fedora_15_Mass_Rebuild
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||||
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* Tue Feb 16 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.2-2
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- Link library correctly against ATLAS.
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||||
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* Wed Jan 27 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.2-1
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- Update to 1.2.
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* Wed Sep 16 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.1-6
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- Fix location of Fortran modules.
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- Fix check phase.
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- Use ATLAS instead of reference BLAS & LAPACK.
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||||
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* Mon Jul 27 2009 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.1-5
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- Rebuilt for https://fedoraproject.org/wiki/Fedora_12_Mass_Rebuild
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* Sat May 16 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.1-4
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- Fix EPEL build by adding explicit BR: blas-devel.
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* Fri May 15 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.1-3
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- Link binary against shared library.
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- Put library back into main package.
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* Tue Apr 21 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.1-2
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- Break libs into own package.
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* Tue Apr 21 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.1-1
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- First release.
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