diff --git a/.gitignore b/.gitignore index a9369ce..1d7c121 100644 --- a/.gitignore +++ b/.gitignore @@ -2,3 +2,12 @@ /votca-2022-rc.2.tar.gz /votca-2022.tar.gz /votca-2022.1.tar.gz +/votca-2023-rc.1.tar.gz +/votca-2023-rc.2.tar.gz +/votca-2023.tar.gz +/votca-2024.tar.gz +/votca-2024.1.tar.gz +/votca-2024.2.tar.gz +/votca-2025.tar.gz +/votca-2025.1.tar.gz +/votca-2026.tar.gz diff --git a/sources b/sources index c6010d7..fc97924 100644 --- a/sources +++ b/sources @@ -1 +1 @@ -SHA512 (votca-2022.1.tar.gz) = dda5cbf1835440abd1b0b511275e10e5facfa9f133062ae082cca4f5654e4af0be0b574b87c70004c0d07920519927bac5620b89ce073de9985bdf792f0dd21a +SHA512 (votca-2026.tar.gz) = 2c4c924dbb0072aa885ec64062a26c607cea2f99f6aeb58c048b347c7b6a55f6d674cb7baec7c687e8d79949255f736ffae72630a03f24dcd3c323ab3cb154d4 diff --git a/votca.spec b/votca.spec index d5579d3..abad731 100644 --- a/votca.spec +++ b/votca.spec @@ -1,30 +1,23 @@ Name: votca -Version: 2022.1 +Version: 2026 %global uversion %{version} -%global sover 2022 -Release: 1%{?dist} +%global sover 2026 +Release: 3%{?dist} Summary: Versatile Object-oriented Toolkit for Coarse-graining Applications -License: ASL 2.0 +License: Apache-2.0 URL: http://www.votca.org Source0: https://github.com/votca/votca/archive/v%{uversion}.tar.gz#/%{name}-%{uversion}.tar.gz -%global with_xtp 1 -# libint2 used by xtp is broken on 32-bit archs -# https://github.com/evaleev/libint/issues/196 -# https://github.com/votca/xtp/issues/652 -%ifarch %ix86 %arm -%global with_xtp 0 -%endif +# https://fedoraproject.org/wiki/Changes/EncourageI686LeafRemoval +# no gromacs package on s390x +ExcludeArch: %{ix86} s390x +%global with_xtp 1 %global with_gmx 1 -# no gromacs package on 32-bit archs -%ifarch %ix86 %arm -%global with_gmx 0 -%endif BuildRequires: gcc-c++ BuildRequires: fdupes -BuildRequires: cmake3 +BuildRequires: cmake BuildRequires: expat-devel BuildRequires: fftw-devel BuildRequires: eigen3-devel @@ -32,7 +25,6 @@ BuildRequires: boost-devel %if %{with_gmx} BuildRequires: gromacs-devel %endif -BuildRequires: perl-generators BuildRequires: hdf5-devel BuildRequires: python3 %if %{with_xtp} @@ -43,25 +35,12 @@ BuildRequires: libecpint-devel BuildRequires: libint2-devel %endif -# mpi packages only used for testing -%if %{with_gmx} -BuildRequires: gromacs-openmpi -%endif -# not available on 32-bit archs -%ifnarch s390x i686 armv7hl -BuildRequires: python3-espresso-openmpi -%endif -BuildRequires: openmpi-devel - #used for testing only %if %{with_gmx} BuildRequires: gromacs %endif -BuildRequires: lammps BuildRequires: python3-cma BuildRequires: python3-pytest -BuildRequires: gnuplot -BuildRequires: psmisc Requires: %{name}-common = %{version}-%{release} Requires: %{name}-libs%{?_isa} = %{version}-%{release} @@ -103,6 +82,7 @@ Obsoletes: votca-tools-devel <= 2022~rc1 Provides: votca-tools-devel = %version-%release Obsoletes: votca-xtp-devel <= 2022~rc1 Provides: votca-xtp-devel = %version-%release +Obsoletes: votca-csg-tutorials <= 2025.1 %description devel %{votca_desc} @@ -134,14 +114,6 @@ Provides: votca-csg-common = %version-%release This package contains architecture independent data files for the VOTCA package. -%package csg-tutorials -Summary: Architecture independent csg tutorial files for VOTCA -BuildArch: noarch -Requires: %{name} = %{version}-%{release} - -%description csg-tutorials -%{votca_desc} - This package contains architecture independent csg tutorial files for the VOTCA package. @@ -185,36 +157,23 @@ Provides: votca-csg-bash = %version-%release This package contains bash completion support for the VOTCA package. %prep -%setup -q -n %{name}-%{uversion} - -# we don't have an espressopp package in Fedora yet -rm -rf csg-tutorials/spce/ibi_espressopp +%autosetup -p1 -n %{name}-%{uversion} %build -# load openmpi, so that cmake can find mdrun_openmpi for testing only -%_openmpi_load -# not a 100% sure why this is needed, but otherwise espressomd cannot be found -export PYTHONPATH="${MPI_PYTHON3_SITEARCH}${PYTHONPATH:+:}${PYTHONPATH}" - %{cmake} -DCMAKE_BUILD_TYPE=Release -DINSTALL_RC_FILES=OFF -DENABLE_TESTING=ON -DBUILD_CSGAPPS=ON \ -DBUILD_XTP=%{with_xtp} \ -DENABLE_REGRESSION_TESTING=ON -DHDF5_C_COMPILER_EXECUTABLE=/usr/bin/h5cc -DINJECT_MARCH_NATIVE=OFF %cmake_build -%_openmpi_unload %install %cmake_install # Install bash completion file -mkdir -p %{buildroot}%{_datadir}/bash-completion/completions -mv %{buildroot}%{_datadir}/votca/rc/csg-completion.bash %{buildroot}%{_datadir}/bash-completion/completions/votca +%__install -D -m0644 %{__cmake_builddir}/csg/src/tools//csg-completion.bash %{buildroot}%{_datadir}/bash-completion/completions/votca %fdupes %{buildroot}%{_prefix} %check -%_openmpi_load -export PYTHONPATH="${MPI_PYTHON3_SITEARCH}${PYTHONPATH:+:}${PYTHONPATH}" %ctest -%_openmpi_unload %files %{_bindir}/{votca,csg,xtp}_* @@ -228,9 +187,6 @@ export PYTHONPATH="${MPI_PYTHON3_SITEARCH}${PYTHONPATH:+:}${PYTHONPATH}" %exclude %{_datadir}/votca/*-tutorials/ %exclude %{_datadir}/votca/xtp/ -%files csg-tutorials -%{_datadir}/votca/csg-tutorials/ - %if %{with_xtp} %files xtp-tutorials %{_datadir}/votca/xtp-tutorials/ @@ -253,6 +209,98 @@ export PYTHONPATH="${MPI_PYTHON3_SITEARCH}${PYTHONPATH:+:}${PYTHONPATH}" %{_datadir}/bash-completion/completions/votca %changelog +* Fri Jul 17 2026 Fedora Release Engineering - 2026-3 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_45_Mass_Rebuild + +* Fri Apr 17 2026 Orion Poplawski - 2026-2 +- Rebuild for hdf5 2.1 + +* Mon Mar 09 2026 Christoph Junghans - 2026-1 +- Version bump to v2026 +- Drop s390x and some clean up +- Fixes: rhbz#2445810 + +* Tue Feb 24 2026 Orion Poplawski - 2025.1-6 +- BR cmake instead of cmake3 + +* Sat Jan 31 2026 Christoph Junghans - 2025.1-5 +- Rebuild for gromacs-2026 +- Fixes: rhbz#2432566 + +* Sun Jan 18 2026 Christoph Junghans - 2025.1-4 +- Fix build with boost-1.90 +- Fixes: rhbz#2429731 + +* Sat Jan 17 2026 Fedora Release Engineering - 2025.1-3 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_44_Mass_Rebuild + +* Sun Nov 02 2025 Christoph Junghans - 2025.1-2 +- Add support for eigen3 v5 + +* Fri Oct 03 2025 Christoph Junghans - 2025.1-1 +- Version bump to v2025.1 +- Fixes: rhbz#2401325 + +* Thu Aug 14 2025 Christoph Junghans - 2025-3 +- Rebuilt for gromacs-2025 + +* Fri Jul 25 2025 Fedora Release Engineering - 2025-2 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_43_Mass_Rebuild + +* Fri Mar 28 2025 Christoph Junghans - 2025-1 +- Version bump to v2025 (bug #2355797) + +* Sun Jan 19 2025 Fedora Release Engineering - 2024.2-4 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild + +* Fri Oct 25 2024 Orion Poplawski - 2024.2-3 +- Rebuild for hdf5 1.14.5 + +* Sat Oct 12 2024 Susi Lehtola - 2024.2-2 +- Rebuild against libxc 7.0.0 in rawhide. + +* Sun Sep 29 2024 Christoph Junghans - 2024.2-1 +- Version bump to v2024.2 (bug #2315578) + +* Wed Jul 24 2024 Miroslav Suchý - 2024.1-2 +- convert license to SPDX + +* Sat Jul 20 2024 Christoph Junghans - 2024.1-1 +- Version bump to v2024.1 (bug #2298540) + +* Sat Jul 20 2024 Fedora Release Engineering - 2024-3 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild + +* Thu Feb 01 2024 Christoph Junghans - 2024-2 +- Rebuilt to gromacs-2024 + +* Wed Jan 24 2024 Christoph Junghans - 2024-1 +- Version bump to v2024 (bug#2260025) + +* Thu Jan 18 2024 Jonathan Wakely - 2023-2 +- Rebuilt for Boost 1.83 + +* Thu Nov 16 2023 Christoph Junghans - 2023-1 +- Version bump to v2023 + +* Sun Nov 12 2023 Christoph Junghans - 2023~rc2-2 +- Rebuild for gromacs-2023 + +* Wed Jul 26 2023 Christoph Junghans - 2023~rc2-1 +- Version bump to v2023-rc.2 + +* Sat Jul 22 2023 Fedora Release Engineering - 2023~rc1-3 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild + +* Mon Feb 20 2023 Jonathan Wakely - 2023~rc1-2 +- Rebuilt for Boost 1.81 + +* Fri Feb 03 2023 Christoph Junghans - 2023-1 +- Version bump to v2023-rc.1 (bug #2166654) + +* Sat Jan 21 2023 Fedora Release Engineering - 2022.1-2 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild + * Wed Dec 21 2022 Christoph Junghans - 2022.1-1 - Version bump to v2022.1