Version bump to v2022 (bug #2041116)

.gitignore

@@ -0,0 +1,24 @@
+/votca-xtp*.src.rpm
+/votca-xtp-1.4_rc1.tar.gz
+/votca-xtp-manual-1.4_rc1.pdf
+/votca-xtp-1.4.tar.gz
+/votca-xtp-manual-1.4.pdf
+/votca-xtp-manual-1.4.1.pdf
+/votca-xtp-1.4.1.tar.gz
+/votca-xtp-1.5.tar.gz
+/votca-xtp-manual-1.5.pdf
+/votca-xtp-manual-1.5.1.pdf
+/votca-xtp-1.5.1.tar.gz
+/votca-xtp-1.6_rc1.tar.gz
+/votca-xtp-1.6_rc2.tar.gz
+/votca-xtp-1.6.tar.gz
+/votca-xtp-1.6.1.tar.gz
+/votca-xtp-1.6.2.tar.gz
+/votca-xtp-1.6.3.tar.gz
+/votca-xtp-1.6.4.tar.gz
+/votca-xtp-2021-rc.1.tar.gz
+/votca-xtp-2021.tar.gz
+/votca-xtp-2021.1.tar.gz
+/votca-xtp-2021.2.tar.gz
+/votca-2022-rc.1.tar.gz
+/votca-2022.tar.gz

dead.package

@@ -1 +0,0 @@
-Replaced by 'votca' package

sources

@@ -0,0 +1 @@
+SHA512 (votca-2022.tar.gz) = ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83

votca-xtp.spec

@@ -0,0 +1,244 @@
+Name:           votca-xtp
+Version:        2022
+%global         uversion %{version}
+%global         sover 2022
+Release:        1%{?dist}
+Summary:        VOTCA excitation and charge properties module
+License:        ASL 2.0
+URL:            http://www.votca.org
+Source0:        https://github.com/votca/votca/archive/v%{uversion}.tar.gz#/votca-%{uversion}.tar.gz
+
+BuildRequires:  gcc-c++
+BuildRequires:  cmake3
+BuildRequires:  eigen3-devel
+BuildRequires:  libxc-devel
+BuildRequires:  hdf5-devel
+BuildRequires:  fftw-devel
+BuildRequires:  pkgconfig
+BuildRequires:  boost-devel
+BuildRequires:  libint2-devel
+BuildRequires:  libecpint-devel
+BuildRequires:  votca-csg-devel = %{version}
+BuildRequires:  votca-csg = %{version}
+
+Requires:   %{name}-common = %{version}-%{release}
+Requires:   %{name}-libs%{_isa} = %{version}-%{release}
+
+# https://github.com/votca/xtp/issues/652
+ExcludeArch: %ix86 %arm
+
+
+%description
+Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is
+a package intended to reduce the amount of routine work when doing systematic
+coarse-graining of various systems. The core is written in C++.
+
+This package contains the excitation and charge properties module of VOTCA
+package.
+
+%package libs
+Summary:        Libraries for VOTCA excitation and charge properties module
+
+%description libs
+Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is
+a package intended to reduce the amount of routine work when doing systematic
+coarse-graining of various systems. The core is written in C++.
+
+This package contains libraries for the excitation and charge properties
+module of VOTCA package.
+
+%package devel
+Summary:        Development headers and libraries for VOTCA XTP
+Requires:       %{name}-libs%{_isa} = %{version}-%{release}
+Requires:       votca-csg-devel%{_isa} = %{version}
+
+%description devel
+Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is
+a package intended to reduce the amount of routine work when doing systematic
+coarse-graining of various systems. The core is written in C++.
+
+This package contains development headers and libraries for the excitation and
+charge properties module.
+
+%package common
+Summary:        Architecture independent data files for VOTCA XTP
+BuildArch:      noarch
+
+%description common
+Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is
+a package intended to reduce the amount of routine work when doing systematic
+coarse-graining of various systems. The core is written in C++.
+
+This package contains architecture independent data files for VOTCA XTP.
+
+%prep
+%setup -qn votca-%{uversion}
+
+%build
+%global _vpath_srcdir xtp
+%{cmake3} -DCMAKE_BUILD_TYPE=Release -DENABLE_TESTING=ON
+%cmake_build
+
+%install
+%cmake_install
+
+%check
+%ctest
+
+%ldconfig_scriptlets libs
+
+%files
+%doc CHANGELOG.rst NOTICE.rst README.rst
+%{_bindir}/xtp_*
+%{_mandir}/man1/xtp_*.1.*
+
+%files common
+%license LICENSE
+%{_datadir}/votca/xtp
+
+%files libs
+%license LICENSE
+%{_libdir}/libvotca_xtp.so.%{sover}
+
+%files devel
+%{_includedir}/votca/xtp/
+%{_libdir}/libvotca_xtp.so
+%{_libdir}/cmake/VOTCA_XTP
+
+%changelog
+* Sun Jan 16 2022 Christoph Junghans <junghans@votca.org> - 2022-1
+- Version bump to v2022 (bug #2041116)
+
+* Tue Nov 30 2021 Christoph Junghans <junghans@votca.org> - 2022~rc1-1
+- Version bump to 2022-rc.1
+
+* Sun Nov 21 2021 Orion Poplawski <orion@nwra.com> - 2021.2-2
+- Rebuild for hdf5 1.12.1
+
+* Mon Sep 20 2021 Christoph Junghans <junghans@votca.org> - 2021.2-1
+- version bump to v2021.2 (bug #2005701)
+
+* Tue Aug 10 2021 Orion Poplawski <orion@nwra.com> - 2021.1-4
+- Rebuild for hdf5 1.10.7
+
+* Sat Aug 07 2021 Jonathan Wakely <jwakely@redhat.com> - 2021.1-3
+- Rebuilt for Boost 1.76
+
+* Fri Jul 23 2021 Fedora Release Engineering <releng@fedoraproject.org> - 2021.1-2
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild
+
+* Sun Jul 18 2021 Christoph Junghans <junghans@votca.org> - 2021.1-1
+- Version bump to v2021.1 (bug #1983383)
+
+* Sat Mar 13 2021 Christoph Junghans <junghans@votca.org> - 2021-1
+- Version bump to v2021 (bug #1938406)
+
+* Wed Jan 27 2021 Fedora Release Engineering <releng@fedoraproject.org> - 2021~rc1-3
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild
+
+* Fri Jan 22 2021 Jonathan Wakely <jwakely@redhat.com> - 2021~rc1-2
+- Rebuilt for Boost 1.75
+
+* Thu Jan 21 17:10:34 MST 2021 Christoph Junghans <junghans@lanl.gov> - 2021~rc1-1
+- Version bump to 2021~rc1 (bug #1916970)
+
+* Tue Jan 12 15:04:24 MST 2021 Christoph Junghans <junghans@lanl.gov> - 1.6.4-1
+- Version bump to v1.6.4 (bug #1915546)
+
+* Wed Dec  9 18:52:59 MST 2020 Christoph Junghans <junghans@votca.org> - 1.6.3-1
+- Version bump to 1.6.3 (bug #1905887)
+
+* Sat Aug 22 2020 Christoph Junghans <junghans@votca.org> - 1.6.2-1
+- Version bump to v1.6.2 (bug #1871343)
+
+* Tue Aug 04 2020 Christoph Junghans <junghans@votca.org> - 1.6.1-5
+- Fix out-of-source build on F33 (bug#1865611)
+
+* Sat Aug 01 2020 Fedora Release Engineering <releng@fedoraproject.org> - 1.6.1-4
+- Second attempt - Rebuilt for
+  https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild
+
+* Wed Jul 29 2020 Fedora Release Engineering <releng@fedoraproject.org> - 1.6.1-3
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild
+
+* Thu Jun 25 2020 Orion Poplawski <orion@cora.nwra.com> - 1.6.1-2
+- Rebuild for hdf5 1.10.6
+
+* Sun Jun 21 2020 Christoph Junghans <junghans@votca.org> - 1.6.1-1
+- Version bump to v1.6.1
+
+* Sat May 30 2020 Jonathan Wakely <jwakely@redhat.com> - 1.6-2
+- Rebuilt for Boost 1.73
+
+* Sat Apr 18 2020 Christoph Junghans <junghans@votca.org> - 1.6-1
+- Version bump to v1.6 (bug #1825475)
+- Drop 381.patch - merged upstream
+
+* Mon Feb 10 2020 Christoph Junghans <junghans@votca.org> - 1.6~rc2-1
+- Version bump to 1.6~rc2
+- Drop 345.patch & 347.patch - merged upstream
+- Add 381.patch to fix 32-bit build
+
+* Fri Jan 31 2020 Fedora Release Engineering <releng@fedoraproject.org> - 1.6-0.3rc1
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild
+
+* Thu Dec 12 2019 Christoph Junghans <junghans@votca.org> - 1.6-0.2rc1
+- Added upstream 347.patch to fix 32bit builds
+- Added upstream 345.patch to fix failing tests
+
+* Thu Dec 05 2019 Christoph Junghans <junghans@votca.org> - 1.6-0.1rc1
+- Version bump to 1.6_rc1 (bug #1779897)
+
+* Fri Nov 22 2019 Christoph Junghans <junghans@votca.org> - 1.5.1-1
+- Version bump to 1.5.1 (bug #1774855)
+
+* Sat Jul 27 2019 Fedora Release Engineering <releng@fedoraproject.org> - 1.5-1.3
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild
+
+* Tue Mar 12 2019 Orion Poplawski <orion@nwra.com> - 1.5-1.2
+- Rebuild for hdf5 1.10.5
+
+* Sun Feb 03 2019 Fedora Release Engineering <releng@fedoraproject.org> - 1.5-1.1
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild
+
+* Sat Feb 02 2019 Christoph Junghans <junghans@votca.org> - 1.5-1
+- Version bump to v1.5 (bug #1667602)
+- drop 55.patch, merged upstream
+- Fix FTBFS (bug #1606654)
+
+* Sat Jul 14 2018 Fedora Release Engineering <releng@fedoraproject.org> - 1.4.1-1.3
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild
+
+* Fri Feb 09 2018 Fedora Release Engineering <releng@fedoraproject.org> - 1.4.1-1.2
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild
+
+* Wed Jan 31 2018 Christoph Junghans <junghans@votca.org> - 1.4.1-1.1
+- Rebuilt for Boost 1.66
+- Add 55.patch
+
+* Sun Sep 03 2017 Christoph Junghans <junghans@votca.org> - 1.4.1-1
+- Update to 1.4.1 (#1487881)
+
+* Thu Aug 03 2017 Fedora Release Engineering <releng@fedoraproject.org> - 1.4-2.4
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild
+
+* Thu Jul 27 2017 Fedora Release Engineering <releng@fedoraproject.org> - 1.4-2.3
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild
+
+* Mon Jul 24 2017 Björn Esser <besser82@fedoraproject.org> - 1.4-2.2
+- Rebuilt for Boost 1.64
+
+* Mon May 15 2017 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.4-2.1
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_27_Mass_Rebuild
+
+* Tue Feb 07 2017 Kalev Lember <klember@redhat.com> - 1.4-2
+- Rebuilt for Boost 1.63
+
+* Sun Oct 30 2016 Christoph Junghans <junghans@votca.org> - 1.4-1
+- Update to 1.4
+
+* Mon Oct 03 2016 Christoph Junghans <junghans@votca.org> - 1.4-0.2rc1
+- Changes from review (bug #1380540)
+
+* Wed Sep 28 2016 Christoph Junghans <junghans@votca.org> - 1.4-0.1rc1
+- Imported 1.4_rc1