Rebuilt for https://fedoraproject.org/wiki/Fedora_45_Mass_Rebuild

Drop s390x and some clean up
Fixes: rhbz#2445810

.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

sources

@@ -1 +1 @@
-SHA512 (votca-2022.1.tar.gz) = dda5cbf1835440abd1b0b511275e10e5facfa9f133062ae082cca4f5654e4af0be0b574b87c70004c0d07920519927bac5620b89ce073de9985bdf792f0dd21a
+SHA512 (votca-2026.tar.gz) = 2c4c924dbb0072aa885ec64062a26c607cea2f99f6aeb58c048b347c7b6a55f6d674cb7baec7c687e8d79949255f736ffae72630a03f24dcd3c323ab3cb154d4

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 <releng@fedoraproject.org> - 2026-3
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_45_Mass_Rebuild
+
+* Fri Apr 17 2026 Orion Poplawski <orion@nwra.com> - 2026-2
+- Rebuild for hdf5 2.1
+
+* Mon Mar 09 2026 Christoph Junghans <junghans@votca.org> - 2026-1
+- Version bump to v2026
+- Drop s390x and some clean up
+- Fixes: rhbz#2445810
+
+* Tue Feb 24 2026 Orion Poplawski <orion@nwra.com> - 2025.1-6
+- BR cmake instead of cmake3
+
+* Sat Jan 31 2026 Christoph Junghans <junghans@votca.org> - 2025.1-5
+- Rebuild for gromacs-2026
+- Fixes: rhbz#2432566
+
+* Sun Jan 18 2026 Christoph Junghans <junghans@votca.org> - 2025.1-4
+- Fix build with boost-1.90
+- Fixes: rhbz#2429731
+
+* Sat Jan 17 2026 Fedora Release Engineering <releng@fedoraproject.org> - 2025.1-3
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_44_Mass_Rebuild
+
+* Sun Nov 02 2025 Christoph Junghans <junghans@votca.org> - 2025.1-2
+- Add support for eigen3 v5
+
+* Fri Oct 03 2025 Christoph Junghans <junghans@votca.org> - 2025.1-1
+- Version bump to v2025.1
+- Fixes: rhbz#2401325
+
+* Thu Aug 14 2025 Christoph Junghans <junghans@votca.org> - 2025-3
+- Rebuilt for gromacs-2025
+
+* Fri Jul 25 2025 Fedora Release Engineering <releng@fedoraproject.org> - 2025-2
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_43_Mass_Rebuild
+
+* Fri Mar 28 2025 Christoph Junghans <junghans@votca.org> - 2025-1
+- Version bump to v2025 (bug #2355797)
+
+* Sun Jan 19 2025 Fedora Release Engineering <releng@fedoraproject.org> - 2024.2-4
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild
+
+* Fri Oct 25 2024 Orion Poplawski <orion@nwra.com> - 2024.2-3
+- Rebuild for hdf5 1.14.5
+
+* Sat Oct 12 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 2024.2-2
+- Rebuild against libxc 7.0.0 in rawhide.
+
+* Sun Sep 29 2024 Christoph Junghans <junghans@votca.org> - 2024.2-1
+- Version bump to v2024.2 (bug #2315578)
+
+* Wed Jul 24 2024 Miroslav Suchý <msuchy@redhat.com> - 2024.1-2
+- convert license to SPDX
+
+* Sat Jul 20 2024 Christoph Junghans <junghans@votca.org> - 2024.1-1
+- Version bump to v2024.1 (bug #2298540)
+
+* Sat Jul 20 2024 Fedora Release Engineering <releng@fedoraproject.org> - 2024-3
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild
+
+* Thu Feb 01 2024 Christoph Junghans <junghans@votca.org> - 2024-2
+- Rebuilt to gromacs-2024
+
+* Wed Jan 24 2024 Christoph Junghans <junghans@votca.org> - 2024-1
+- Version bump to v2024 (bug#2260025)
+
+* Thu Jan 18 2024 Jonathan Wakely <jwakely@redhat.com> - 2023-2
+- Rebuilt for Boost 1.83
+
+* Thu Nov 16 2023 Christoph Junghans <junghans@votca.org> - 2023-1
+- Version bump to v2023
+
+* Sun Nov 12 2023 Christoph Junghans <junghans@votca.org> - 2023~rc2-2
+- Rebuild for gromacs-2023
+
+* Wed Jul 26 2023 Christoph Junghans <junghans@votca.org> - 2023~rc2-1
+- Version bump to v2023-rc.2
+
+* Sat Jul 22 2023 Fedora Release Engineering <releng@fedoraproject.org> - 2023~rc1-3
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild
+
+* Mon Feb 20 2023 Jonathan Wakely <jwakely@redhat.com> - 2023~rc1-2
+- Rebuilt for Boost 1.81
+
+* Fri Feb 03 2023 Christoph Junghans <junghans@votca.org> - 2023-1
+- Version bump to v2023-rc.1 (bug #2166654)
+
+* Sat Jan 21 2023 Fedora Release Engineering <releng@fedoraproject.org> - 2022.1-2
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild
+
 * Wed Dec 21 2022 Christoph Junghans <junghans@votca.org> - 2022.1-1
 - Version bump to v2022.1