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@@ -0,0 +1,338 @@
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+ %if 0%{?fedora}
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+ %bcond_without python3
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+ %else
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+ %bcond_with python3
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+ %endif
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+
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+ %if 0%{?fedora} >= 30
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+ %bcond_with python2
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+ %else
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+ %bcond_without python2
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+ %endif
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+
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+ %global soversion 5
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+
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+ Name: libxc
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+ Summary: Library of exchange and correlation functionals for density-functional theory
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+ Version: 4.3.3
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+ Release: 3%{?dist}
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+ License: MPLv2.0
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+ Source0: http://www.tddft.org/programs/octopus/down.php?file=libxc/%{version}/libxc-%{version}.tar.gz
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+ # Don't rebuild libxc for pylibxc
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+ Patch0: libxc-4.3.3-pylibxc.patch
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+
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+ URL: http://www.tddft.org/programs/octopus/wiki/index.php/Libxc
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+
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+ BuildRequires: gcc-gfortran
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+ BuildRequires: libtool
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+
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+ %if %{with python2}
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+ BuildRequires: python2-devel
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+ BuildRequires: python2-numpy
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+ %endif
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+ %if %{with python3}
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+ BuildRequires: python3-devel
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+ BuildRequires: python3-numpy
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+ %endif
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+
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+ %if ! %{with python2}
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+ Obsoletes: python2-%{name} < %{version}-%{release}
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+ %endif
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+ %if ! %{with python3}
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+ Obsoletes: python3-%{name} < %{version}-%{release}
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+ %endif
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+
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+ %description
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+ libxc is a library of exchange and correlation functionals. Its purpose is to
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+ be used in codes that implement density-functional theory. For the moment, the
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+ library includes most of the local density approximations (LDAs), generalized
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+ density approximation (GGAs), and meta-GGAs. The library provides values for
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+ the energy density and its 1st, 2nd, and (for the LDAs) 3rd derivatives.
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+
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+ %package devel
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+ Summary: Development library and headers for libxc
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+ Requires: %{name}%{?_isa} = %{version}-%{release}
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+ Requires: pkgconfig
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+
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+ %description devel
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+ libxc is a library of exchange and correlation functionals. Its purpose is to
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+ be used in codes that implement density-functional theory. For the moment, the
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+ library includes most of the local density approximations (LDAs), generalized
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+ density approximation (GGAs), and meta-GGAs. The library provides values for
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+ the energy density and its 1st, 2nd, and (for the LDAs) 3rd derivatives.
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+
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+ This package contains the development headers and library that are necessary
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+ in order to compile programs against libxc.
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+
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+ %if %{with python2}
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+ %package -n python2-%{name}
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+ Summary: Python2 interface to libxc
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+ Requires: python2-numpy
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+ Requires: %{name} = %{version}-%{release}
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+ BuildArch: noarch
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+ %{?python_provide:%python_provide python2-%{name}}
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+
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+ %description -n python2-%{name}
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+ libxc is a library of exchange and correlation functionals. Its purpose is to
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+ be used in codes that implement density-functional theory. For the moment, the
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+ library includes most of the local density approximations (LDAs), generalized
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+ density approximation (GGAs), and meta-GGAs. The library provides values for
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+ the energy density and its 1st, 2nd, and (for the LDAs) 3rd derivatives.
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+
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+ This package contains the Python2 interface library to libxc.
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+ %endif
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+
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+ %if %{with python3}
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+ %package -n python3-%{name}
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+ Summary: Python3 interface to libxc
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+ Requires: python3-numpy
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+ Requires: %{name} = %{version}-%{release}
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+ BuildArch: noarch
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+ %if 0%{?rhel}
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+ %{?python_provide:%python_provide python%{python3_pkgversion}-%{name}}
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+ %else
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+ %{?python_provide:%python_provide python3-%{name}}
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+ %endif
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+ %description -n python3-%{name}
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+ libxc is a library of exchange and correlation functionals. Its purpose is to
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+ be used in codes that implement density-functional theory. For the moment, the
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+ library includes most of the local density approximations (LDAs), generalized
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+ density approximation (GGAs), and meta-GGAs. The library provides values for
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+ the energy density and its 1st, 2nd, and (for the LDAs) 3rd derivatives.
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+
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+ This package contains the Python3 interface library to libxc.
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+ %endif
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+
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+ %prep
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+ %setup -q
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+ %patch0 -p1 -b .pylibxc
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+ # Plug in library soversion
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+ sed -i "s|@SOVERSION@|%{soversion}|g" pylibxc/core.py
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+
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+ %build
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+ # Don't insert C code during preprocessing
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+ export FCCPP="cpp -ffreestanding"
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+ %configure --enable-shared --disable-static
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+ # Remove rpath
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+ sed -i 's|^hardcode_libdir_flag_spec=.*|hardcode_libdir_flag_spec=""|g' libtool
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+ sed -i 's|^runpath_var=LD_RUN_PATH|runpath_var=DIE_RPATH_DIE|g' libtool
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+ # SMP make doesn't work
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+ #make %{?_smp_mflags}
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+ make
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+
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+ # Check we have the right soversion
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+ if [[ ! -f src/.libs/libxc.so.%{soversion} ]]; then
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+ echo "soversion has changed!"
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+ exit
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+ fi
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+
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+ # Build python interface
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+ %if %{with python2}
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+ %{py2_build}
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+ %endif
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+ %if %{with python3}
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+ %{py3_build}
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+ %endif
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+
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+ %install
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+ %make_install
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+ # Move modules in the right place
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+ mkdir -p %{buildroot}%{_fmoddir}
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+ mv %{buildroot}%{_includedir}/*.mod %{buildroot}%{_fmoddir}
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+ # Get rid of .la files
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+ find %{buildroot}%{_libdir} -name *.la -exec rm -rf {} \;
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+
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+ # Install python interface
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+ %if %{with python2}
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+ %{py2_install}
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+ %endif
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+ %if %{with python3}
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+ %{py3_install}
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+ %endif
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+
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+ %if 0%{?rhel} == 6 || 0%{?rhel} == 7
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+ %post -p /sbin/ldconfig
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+ %postun -p /sbin/ldconfig
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+ %else
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+ %ldconfig_scriptlets
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+ %endif
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+
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+ %files
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+ %doc README NEWS COPYING AUTHORS ChangeLog TODO
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+ %{_bindir}/xc-info
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+ %{_bindir}/xc-threshold
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+ %{_libdir}/libxc.so.%{soversion}*
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+ %{_libdir}/libxcf03.so.%{soversion}*
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+ %{_libdir}/libxcf90.so.%{soversion}*
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+
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+ %files devel
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+ %{_libdir}/libxc.so
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+ %{_libdir}/libxcf03.so
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+ %{_libdir}/libxcf90.so
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+ %{_includedir}/xc*.h
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+ %{_fmoddir}/libxc_funcs_m.mod
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+ %{_fmoddir}/xc_f03_*.mod
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+ %{_fmoddir}/xc_f90_*.mod
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+ %{_libdir}/pkgconfig/libxc.pc
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+ %{_libdir}/pkgconfig/libxcf03.pc
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+ %{_libdir}/pkgconfig/libxcf90.pc
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+
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+ %if %{with python2}
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+ %files -n python2-%{name}
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+ %{python2_sitelib}/pylibxc/
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+ %{python2_sitelib}/pylibxc-%{version}-py*.egg-info
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+ %endif
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+
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+ %if %{with python3}
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+ %files -n python3-%{name}
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+ %{python3_sitelib}/pylibxc/
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+ %{python3_sitelib}/pylibxc-%{version}-py*.egg-info
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+ %endif
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+
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+ %changelog
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+ * Mon Aug 19 2019 Miro Hrončok <mhroncok@redhat.com> - 4.3.3-3
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+ - Rebuilt for Python 3.8
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+
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+ * Thu Jul 25 2019 Fedora Release Engineering <releng@fedoraproject.org> - 4.3.3-2
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+ - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild
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+
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+ * Mon Feb 11 2019 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.3.3-1
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+ - Update to 4.3.3.
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+
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+ * Fri Feb 08 2019 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.3.2-1
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+ - Update to 4.3.2.
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+
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+ * Wed Feb 06 2019 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.3.1-1
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+ - Update to 4.3.1.
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+
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+ * Wed Jan 30 2019 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.3.0-1
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+ - Update to 4.3.0.
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+
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+ * Wed Nov 21 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.2.3-1
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+ - Remove python2 subpackage from rawhide.
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+ - Update to 4.2.3.
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+
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+ * Fri Jul 13 2018 Fedora Release Engineering <releng@fedoraproject.org> - 4.2.0-3
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+ - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild
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+
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+ * Tue Jun 19 2018 Miro Hrončok <mhroncok@redhat.com> - 4.2.0-2
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+ - Rebuilt for Python 3.7
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+
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+ * Tue Jun 05 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.2.0-1
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+ - Update to 4.2.0.
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+
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+ * Wed May 09 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.1.1-1
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+ - Update to 4.1.1, changing license to MPLv2 and adding Python interface.
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+
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+ * Fri May 04 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.0.5-1
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+ - Update to 4.0.5.
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+
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+ * Wed Feb 07 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.0.4-1
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+ - Update to 4.0.4.
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+
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+ * Mon Nov 20 2017 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.0.2-1
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+ - Update to 4.0.2.
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+
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+ * Mon Oct 09 2017 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.0.1-1
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+ - Update to 4.0.1.
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+
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+ * Wed Sep 27 2017 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.0.0-1
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+ - Update to 4.0.0, removing single precision libraries.
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+
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+ * Thu Aug 03 2017 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-5
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+ - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild
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+
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+ * Wed Jul 26 2017 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-4
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+ - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild
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+
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+ * Sun Feb 05 2017 Kalev Lember <klember@redhat.com> - 3.0.0-3
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+ - Rebuilt for libgfortran soname bump
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+
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+ * Thu Jun 30 2016 Rafael Fonseca <rdossant@redhat.com> - 3.0.0-2
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+ - Fix compilation on ppc64.
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+
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+ * Thu Apr 21 2016 Susi Lehtola <jussilehtola@fedoraproject.org> - 3.0.0-1
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+ - Update to 3.0.0.
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+
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+ * Thu Feb 04 2016 Fedora Release Engineering <releng@fedoraproject.org> - 2.1.2-6
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+ - Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild
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+
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+ * Wed Jun 17 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.1.2-5
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+ - Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild
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+
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+ * Sat May 02 2015 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.1.2-4
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+ - Drop gfortran requires on -devel.
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+
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+ * Fri Apr 24 2015 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.1.2-3
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+ - Patch some hybrids.
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+
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+ * Fri Apr 24 2015 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.1.2-2
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+ - Patch broken makefiles.
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+
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+ * Thu Feb 19 2015 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.1.2-1
|
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+ - Update to 2.1.2.
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+
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+ * Sun Aug 17 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.1.0-4
|
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+ - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild
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+
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+ * Sat Jun 07 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.1.0-3
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+ - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild
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+
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+ * Mon Mar 24 2014 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.1.0-2
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+ - Re-enable builds on ppc and ppc64 on EPEL.
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+
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+ * Fri Mar 21 2014 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.1.0-1
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+ - Enable single precision routines as well.
|
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+ - Update to 2.1.0.
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+
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+ * Tue Feb 18 2014 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.3-1
|
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+ - Update to 2.0.3.
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+
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+ * Mon Feb 17 2014 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.2-3
|
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+ - Fix bug with some mgga correlation functionals.
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+
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+ * Sat Aug 03 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.0.2-2
|
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+ - Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild
|
| |
+
|
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+ * Wed Jul 10 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.2-1
|
| |
+ - Update to 2.0.2.
|
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+
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+ * Wed Mar 06 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.1-3
|
| |
+ - Fix FTBFS in rawhide.
|
| |
+
|
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+ * Thu Feb 14 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.0.1-2
|
| |
+ - Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild
|
| |
+
|
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+ * Mon Jan 21 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.1-1
|
| |
+ - Update to 2.0.1.
|
| |
+
|
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+ * Fri Dec 7 2012 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.0-1
|
| |
+ - Update to 2.0.0.
|
| |
+
|
| |
+ * Thu Jul 19 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.2.0-2
|
| |
+ - Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild
|
| |
+
|
| |
+ * Fri Jun 15 2012 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.2.0-1
|
| |
+ - Update to 1.2.0.
|
| |
+
|
| |
+ * Fri Jan 13 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.1.0-2
|
| |
+ - Rebuilt for https://fedoraproject.org/wiki/Fedora_17_Mass_Rebuild
|
| |
+
|
| |
+ * Fri May 13 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.1.0-1
|
| |
+ - Update to 1.1.0.
|
| |
+
|
| |
+ * Tue Feb 08 2011 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.0-5
|
| |
+ - Rebuilt for https://fedoraproject.org/wiki/Fedora_15_Mass_Rebuild
|
| |
+
|
| |
+ * Sun Jan 23 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.0-4
|
| |
+ - Clean buildroot at the beginning of %%install.
|
| |
+
|
| |
+ * Sun Jan 23 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.0-3
|
| |
+ - Update tarball.
|
| |
+ - Make requirement on gcc-gfortran in -devel architecture explicit.
|
| |
+
|
| |
+ * Sat Jan 22 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.0-2
|
| |
+ - Minor review fixes.
|
| |
+
|
| |
+ * Tue Jan 18 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.0-1
|
| |
+ - Initial specfile.
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| |
https://koji.fedoraproject.org/koji/taskinfo?taskID=37968201