Hello community, here is the log from the commit of package votca-xtp for openSUSE:Factory checked in at 2020-06-15 20:27:19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/votca-xtp (Old) and /work/SRC/openSUSE:Factory/.votca-xtp.new.3606 (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "votca-xtp" Mon Jun 15 20:27:19 2020 rev:3 rq:796690 version:1.6 Changes: -------- --- /work/SRC/openSUSE:Factory/votca-xtp/votca-xtp.changes 2019-11-30 10:39:21.184157980 +0100 +++ /work/SRC/openSUSE:Factory/.votca-xtp.new.3606/votca-xtp.changes 2020-06-15 20:27:24.445729319 +0200 @@ -1,0 +2,49 @@ +Sat Apr 18 04:58:29 UTC 2020 - Christoph Junghans <[email protected]> + +- Update to 1.6 + - fix 32-bit build ([gh#votca/xtp#381], [gh#votca/xtp#380]) + - remove duplicated basissets ([gh#votca/xtp#384], + [gh#votca/xtp#386], [gh#votca/xtp#387]) + - fix clang-10 warnings ([gh#votca/xtp#394]) + - fix unit_test_eeinteractor on OpenSUSE ([gh#votca/xtp#341], + [gh#votca/xtp#428]) +- Drop doc package, upstream remove manual + +------------------------------------------------------------------- +Mon Feb 10 17:27:05 UTC 2020 - Christoph Junghans <[email protected]> + +- Update to 1.6_rc2 + - fix remove giant logo from tarball ([gh#votca/xtp#337]) + - fix assertions related to GLIBCXX_ASSERTIONS + ([gh#votca/xtp#345]) + - remove unused boost serialisation ([gh#votca/xtp#346]) + - fix build on 32-bit archs ([gh#votca/xtp#347]) + - add ENABLE_HIGH_MEMORY_TESTS cmake option ([gh#votca/xtp#356]) + - fix copyright ([gh#votca/xtp#363]) + - remove old doxygen target ([gh#votca/xtp#365]) + - fix some gcc10 warnings ([gh#votca/xtp#376]) + - Add external fields to dft calculations ([gh#votca/xtp#351], + [gh#votca/xtp#353]) + - added def2 and cc basis sets ([gh#votca/xtp#355]) + - added apdft ([gh#votca/xtp#350]) + - added test to cubefile reader ([gh#votca/xtp#344]) + - fix state tracker ([gh#votca/xtp#333]) + - grid class refator ([gh#votca/xtp#335]) + - changed ppm screening ([gh#votca/xtp#371]) + +------------------------------------------------------------------- +Thu Dec 5 17:24:22 UTC 2019 - Christoph Junghans <[email protected]> + +- Update to 1.6_rc1 + - completely new statefile in hdf5 format for larger systems + - new electrostatics with PCG solver + - new QM/MM engine with freely configurable regions + - exact GW-BSE for small systems + - new iterative matrix solvers for large systems + - full LAMMPS support + - improved testing + - deleted netbeans support + - removed old manual + - Major CMake refactor + +------------------------------------------------------------------- Old: ---- votca-xtp-1.5.1.tar.gz votca-xtp-manual-1.5.1.pdf New: ---- _constraints votca-xtp-1.6.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ votca-xtp.spec ++++++ --- /var/tmp/diff_new_pack.3nYpBl/_old 2020-06-15 20:27:25.901734363 +0200 +++ /var/tmp/diff_new_pack.3nYpBl/_new 2020-06-15 20:27:25.905734377 +0200 @@ -1,8 +1,8 @@ # # spec file for package votca-xtp # -# Copyright (c) 2016-2017 SUSE LINUX GmbH, Nuernberg, Germany. -# Copyright (c) 2018-2019 Christoph Junghans +# Copyright (c) 2020 SUSE LLC +# Copyright (c) 2018-2020 Christoph Junghans # # All modifications and additions to the file contributed by third parties # remain the property of their copyright owners, unless otherwise agreed @@ -13,49 +13,47 @@ # license that conforms to the Open Source Definition (Version 1.9) # published by the Open Source Initiative. -# Please submit bugfixes or comments via http://bugs.opensuse.org/ +# Please submit bugfixes or comments via https://bugs.opensuse.org/ # Name: votca-xtp -Version: 1.5.1 -%define uversion %{version} -%define sover 5 +Version: 1.6 Release: 0 +%define uversion %{version} +%define sover 6 Summary: VOTCA excitation and charge properties module License: Apache-2.0 Group: Productivity/Scientific/Chemistry -Url: http://www.votca.org +URL: http://www.votca.org Source0: https://github.com/votca/xtp/archive/v%{uversion}.tar.gz#/%{name}-%{uversion}.tar.gz -Source1: https://github.com/votca/xtp/releases/download/v%{uversion}/votca-xtp-manual-%{uversion}.pdf BuildRoot: %{_tmppath}/%{name}-%{version}-build +BuildRequires: cmake >= 2.8.4 +BuildRequires: fdupes BuildRequires: gcc-c++ -BuildRequires: pkg-config -%if 0%{?suse_version} > 1325 +BuildRequires: hdf5-devel +BuildRequires: libboost_filesystem-devel >= 1.48.0 BuildRequires: libboost_program_options-devel >= 1.48.0 BuildRequires: libboost_serialization-devel >= 1.48.0 -BuildRequires: libboost_filesystem-devel >= 1.48.0 BuildRequires: libboost_system-devel >= 1.48.0 -BuildRequires: libboost_timer-devel >= 1.48.0 BuildRequires: libboost_test-devel -%else -BuildRequires: boost-devel >= 1.39.0 -%endif -BuildRequires: cmake >= 2.8.4 -BuildRequires: fdupes -BuildRequires: votca-csg-devel = %{version} +BuildRequires: libboost_timer-devel >= 1.48.0 BuildRequires: libxc-devel -BuildRequires: libceres-devel -BuildRequires: hdf5-devel - #for hdf5 +BuildRequires: pkg-config +BuildRequires: votca-csg-devel = %{version} +# for hdf5 +BuildRequires: memory-constraints BuildRequires: zlib-devel #exact same version is needed Requires: %{name}-common = %{version} Requires: libvotca_xtp%sover = %{version} +Obsoletes: votca-xtp-doc < %{version} +Provides: votca-xtp-doc < %{version} + %description Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is a package to reduce the amount of routine work when doing systematic @@ -78,8 +76,8 @@ %package devel Summary: Development headers and libraries for VOTCA XTP Group: Development/Libraries/C and C++ -Requires: libvotca_xtp%sover = %{version} Requires: %{name} = %{version} +Requires: libvotca_xtp%sover = %{version} Requires: votca-csg-devel = %{version} %description devel @@ -102,18 +100,6 @@ This package contains the architecture-independent data files for VOTCA XTP. -%package doc -Summary: Architecture independent doc files for VOTCA XTP -Group: Documentation/Other -BuildArch: noarch - -%description doc -Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is -a package 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 architecture-independent documentation files for VOTCA XTP. - %prep %setup -n xtp-%{uversion} -q @@ -121,20 +107,14 @@ FAKE_BUILDTIME=$(LC_ALL=C date -u -r %{_sourcedir}/%{name}.changes '+%%H:%%M:%%S') sed -i -e "s/__DATE__/\"$FAKE_BUILDDATE\"/" -e "s/__TIME__/\"$FAKE_BUILDTIME\"/" src/libxtp/version.cc -# long.bst has non-profit purposes license, but it is not used for build -rm -v manual/long.bst - %build %{cmake} -DCMAKE_SKIP_RPATH:BOOL=OFF -DLIB=%{_lib} -DBUILD_MANPAGES=ON -DENABLE_TESTING=ON -make #%{?_smp_mflags} +%limit_build -m 2000 +%cmake_build %install -make -C build install DESTDIR=%{buildroot} -sed -i -e '1s@env @@' %{buildroot}/%{_bindir}/xtp_* - -%define pkgdocdir %{_docdir}/%{name} -mkdir -p %{buildroot}%{pkgdocdir} -cp %{S:1} %{buildroot}%{pkgdocdir} +%cmake_install +sed -i -e '1s@env @@' %{buildroot}/%{_bindir}/xtp_* %{buildroot}/%{_datadir}/votca/xtp/benchmark/xtp_benchmark %fdupes %{buildroot}%{_prefix} @@ -145,29 +125,19 @@ %postun -n libvotca_xtp%sover -p /sbin/ldconfig %files -%defattr(-,root,root,-) +%doc CHANGELOG.md NOTICE README.md %{_bindir}/xtp_* %{_mandir}/man1/xtp_* -%files doc -%defattr(-,root,root,-) -%doc CHANGELOG.md NOTICE README.md -%license LICENSE.md -%{pkgdocdir} - %files common %license LICENSE.md -%defattr(-,root,root,-) %{_datadir}/votca %files -n libvotca_xtp%sover -%defattr(-,root,root,-) -%{_libdir}/libvotca_xtp.so.* +%{_libdir}/libvotca_xtp.so.%{sover} %files devel -%defattr(-,root,root,-) %{_includedir}/votca/xtp/ %{_libdir}/libvotca_xtp.so -%{_libdir}/pkgconfig/libvotca_xtp.pc %changelog ++++++ _constraints ++++++ <?xml version="1.0"?> <constraints> <hardware> <physicalmemory> <size unit="G">4</size> </physicalmemory> </hardware> <sandbox>kvm</sandbox> </constraints> ++++++ votca-xtp-1.5.1.tar.gz -> votca-xtp-1.6.tar.gz ++++++ /work/SRC/openSUSE:Factory/votca-xtp/votca-xtp-1.5.1.tar.gz /work/SRC/openSUSE:Factory/.votca-xtp.new.3606/votca-xtp-1.6.tar.gz differ: char 12, line 1
