Script 'mail_helper' called by obssrc Hello community, here is the log from the commit of package avogadrolibs for openSUSE:Factory checked in at 2025-05-20 12:19:50 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/avogadrolibs (Old) and /work/SRC/openSUSE:Factory/.avogadrolibs.new.30101 (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "avogadrolibs" Tue May 20 12:19:50 2025 rev:12 rq:1278499 version:1.100.0 Changes: -------- --- /work/SRC/openSUSE:Factory/avogadrolibs/avogadrolibs.changes 2025-04-10 21:59:54.974273422 +0200 +++ /work/SRC/openSUSE:Factory/.avogadrolibs.new.30101/avogadrolibs.changes 2025-05-20 12:19:54.981622319 +0200 @@ -1,0 +2,22 @@ +Mon May 19 11:19:52 UTC 2025 - Atri Bhattacharya <badshah...@gmail.com> + +- Add eigen3-devel to avogadrolibs-devel Requires. + +------------------------------------------------------------------- +Mon May 12 06:26:42 UTC 2025 - Atri Bhattacharya <badshah...@gmail.com> + +- Update to version 1.00.0: + * Too many changes to list, see + <https://github.com/OpenChemistry/avogadrolibs/releases/tag/1.100.0> +- Add fragments-1.99.0.tar.gz as source, needed for build. +- Switch to Qt6 for build. +- Enable testing during build and run tests as part of %check for + openSUSE > 1550 (gtest too old on 15.6 and older); add necessary + deps cmake(GTest) and cmake(Qt6Test) as BuildRequires. +- Build with system nlohmann_json, pugixml. +- Drop dependence on Molequeue (abandoned, does not build with + Qt6). +- Fix builds for Leap 15.6 after switching to Qt6 (needs gcc-c++ + >= 8 for <filesystem> support). + +------------------------------------------------------------------- Old: ---- avogadrolibs-1.98.1.tar.gz New: ---- avogadrolibs-1.100.0.tar.gz fragments-1.99.0.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ avogadrolibs.spec ++++++ --- /var/tmp/diff_new_pack.hfkJHT/_old 2025-05-20 12:19:56.225674515 +0200 +++ /var/tmp/diff_new_pack.hfkJHT/_new 2025-05-20 12:19:56.225674515 +0200 @@ -19,9 +19,13 @@ %if 0%{suse_version} >= 1550 %bcond_without spglib %bcond_without python +%bcond_without tests %else +# Needs <filesystem> +%define gcc_ver 8 %bcond_with spglib %bcond_with python +%bcond_with tests %endif # Requires genXrdPattern @@ -31,8 +35,9 @@ %define libname libAvogadro%{sonum} %define molecules_rev 1.98.0 %define crystals_rev 1.98.0 +%define fragments_rev 1.99.0 Name: avogadrolibs -Version: 1.98.1 +Version: 1.100.0 Release: 0 Summary: Avogadro libraries for computational chemistry License: BSD-3-Clause AND CDDL-1.0 AND GPL-3.0-or-later AND Apache-2.0 @@ -40,23 +45,29 @@ Source0: https://github.com/OpenChemistry/avogadrolibs/archive/%{version}.tar.gz#/%{name}-%{version}.tar.gz Source1: https://github.com/OpenChemistry/molecules/archive/%{molecules_rev}.tar.gz#/molecules-%{molecules_rev}.tar.gz Source2: https://github.com/OpenChemistry/crystals/archive/%{crystals_rev}.tar.gz#/crystals-%{crystals_rev}.tar.gz +Source3: https://github.com/OpenChemistry/fragments/archive/refs/tags/%{fragments_rev}.tar.gz#/fragments-%{fragments_rev}.tar.gz # PATCH-FIX-UPSTREAM not-install-gwavi.patch -- Library only used locally so no need to install this helper Patch0: not-install-gwavi.patch BuildRequires: cmake >= 3.5 BuildRequires: eigen3-devel >= 2.91.0 BuildRequires: fdupes -BuildRequires: gcc-c++ +BuildRequires: gcc%{?gcc_ver}-c++ BuildRequires: hdf5-devel -BuildRequires: libqt5-linguist-devel BuildRequires: mmtf-cpp-devel -BuildRequires: cmake(Qt5Concurrent) -BuildRequires: cmake(Qt5Network) -BuildRequires: cmake(Qt5Svg) -BuildRequires: cmake(Qt5Widgets) +BuildRequires: cmake(Qt6Concurrent) +BuildRequires: cmake(Qt6Core) +BuildRequires: cmake(Qt6Gui) +BuildRequires: cmake(Qt6Network) +BuildRequires: cmake(Qt6OpenGL) +BuildRequires: cmake(Qt6OpenGLWidgets) +BuildRequires: cmake(Qt6Svg) +BuildRequires: cmake(Qt6Widgets) BuildRequires: cmake(libmsym) >= 0.2.0 BuildRequires: pkgconfig(gl) BuildRequires: pkgconfig(glew) BuildRequires: pkgconfig(libarchive) +BuildRequires: pkgconfig(nlohmann_json) +BuildRequires: pkgconfig(pugixml) BuildRequires: pkgconfig(zlib) %if %{with python} BuildRequires: python3-devel @@ -65,6 +76,10 @@ %if %{with spglib} BuildRequires: spglib-devel %endif +%if %{with tests} +BuildRequires: cmake(GTest) +BuildRequires: cmake(Qt6Test) +%endif %if 0%{?suse_version} <= 1500 BuildRequires: pkgconfig(glu) %endif @@ -107,9 +122,11 @@ Summary: Header files for Avogadro libraries Requires: %{libname} = %{version} Requires: %{name}-plugins = %{version} -Requires: cmake(MoleQueue) -Requires: cmake(Qt5Network) -Requires: cmake(Qt5Widgets) +Requires: eigen3-devel >= 2.91.0 +Requires: cmake(Qt6Concurrent) +Requires: cmake(Qt6Core) +Requires: cmake(Qt6OpenGLWidgets) +Requires: cmake(Qt6Widgets) Requires: pkgconfig(gl) Requires: pkgconfig(glew) %if 0%{?suse_version} <= 1500 @@ -130,10 +147,11 @@ %endif %prep -%setup -q -b 1 -b 2 +%setup -q -b 1 -b 2 -b 3 %autopatch -p1 [ -e ../crystals ] && rm -rfv ../crystals; mv ../crystals-%{crystals_rev} ../crystals [ -e ../molecules ] && rm -rfv ../molecules; mv ../molecules-%{molecules_rev} ../molecules +[ -e ../fragments ] && rm -rfv ../fragments; mv ../fragments-%{fragments_rev} ../fragments %ifarch aarch64 %{arm} # Workaround for Qt GLES builds on ARM, until overlayaxes fixed upstream - https://github.com/OpenChemistry/avogadrolibs/issues/810 # Type of function prototypes differ between GLEW and GLES @@ -141,11 +159,16 @@ %endif %build +# Note: Molequeue is abandonware, see https://github.com/OpenChemistry/avogadroapp/issues/561 %cmake \ + -DCMAKE_CXX_COMPILER:STRING=g++%{?gcc_ver:-%{gcc_ver}} \ -DINSTALL_DOC_DIR:PATH=%{_defaultdocdir} \ -DBUILD_STATIC_PLUGINS:BOOL=OFF \ - -DENABLE_TRANSLATIONS:BOOL=ON \ - -DUSE_MOLEQUEUE:BOOL=ON \ + -DBUILD_MOLEQUEUE:BOOL=OFF \ + -DENABLE_TESTING:BOOL=%{?with_tests:ON}%{!?with_tests:OFF} \ + -DQT_VERSION:STRING=6 \ + -DUSE_EXTERNAL_NLOHMANN:BOOL=ON \ + -DUSE_EXTERNAL_PUGIXML:BOOL=ON \ -DUSE_LIBMSYM:BOOL=ON \ -DUSE_MMTF:BOOL=ON \ -DUSE_HDF5:BOOL=ON \ @@ -163,16 +186,19 @@ rm %{buildroot}%{_defaultdocdir}/avogadrolibs/LICENSE %fdupes %{buildroot}%{_datadir} -sed -i -e '1 s@^@#!/usr/bin/python3\n@' \ - %{buildroot}%{_libdir}/avogadro2/scripts/charges/*.py \ - %{buildroot}%{_libdir}/avogadro2/scripts/formatScripts/zyx.py +sed -E -i '1{\@/usr/bin/env python@d}' %{buildroot}%{_datadir}/avogadro2/fragments/scripts/*.py # Remove exec permissions from scripts not in $$PATH -chmod -x %{buildroot}%{_libdir}/avogadro2/scripts/energy/*.py +chmod -x %{buildroot}%{_libdir}/avogadro2/scripts/formatScripts/zyx.py + +rm %{buildroot}%{_datadir}/avogadro2/fragments/.gitignore -%post -n %{libname} -p /sbin/ldconfig +%if %{with tests} +%check +%ctest +%endif -%postun -n %{libname} -p /sbin/ldconfig +%ldconfig_scriptlets -n %{libname} %files -n %{libname} %license LICENSE @@ -191,11 +217,12 @@ %files -n avogadro2-data %dir %{_datadir}/avogadro2 -%{_datadir}/avogadro2/crystals -%{_datadir}/avogadro2/molecules +%{_datadir}/avogadro2/crystals/ +%{_datadir}/avogadro2/fragments/ +%{_datadir}/avogadro2/molecules/ %if %{with python} %files -n python3-avogadro -%{python3_sitearch}/avogadro +%{python3_sitearch}/avogadro/ %endif ++++++ avogadrolibs-1.98.1.tar.gz -> avogadrolibs-1.100.0.tar.gz ++++++ ++++ 451748 lines of diff (skipped)
