|
|
d183a4a |
%global commit 9bb2daf1c83f5932b145a6135f3a48f969639ef3
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|
|
786824f |
%global shortcommit %(c=%{commit}; echo ${c:0:7})
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|
|
786824f |
|
|
Thomas Spura |
8afca25 |
Name: espresso
|
|
|
d183a4a |
Version: 4.2.1
|
|
|
c4e6bf7 |
Release: 11%{?dist}
|
|
Thomas Spura |
8afca25 |
Summary: Extensible Simulation Package for Research on Soft matter
|
|
|
34259b4 |
# segfault on s390x: https://github.com/espressomd/espresso/issues/3753
|
|
|
9d1fd26 |
# segfault on armv7hl: https://src.fedoraproject.org/rpms/espresso/pull-request/4
|
|
|
9d1fd26 |
ExcludeArch: s390x i686 armv7hl
|
|
Thomas Spura |
8afca25 |
|
|
Thomas Spura |
8afca25 |
License: GPLv3+
|
|
|
a1957a1 |
URL: https://espressomd.org
|
|
|
a1957a1 |
Source0: https://github.com/%{name}md/%{name}/releases/download/%{version}/%{name}-%{version}.tar.gz
|
|
|
4adfc44 |
# fix for API change in setuptools
|
|
|
4adfc44 |
# https://github.com/espressomd/espresso/pull/4709
|
|
|
4adfc44 |
Patch0: %{name}-setuptools.patch
|
|
|
93d3c0c |
# fix for LB inertialess tracers integration bug
|
|
|
93d3c0c |
# https://github.com/espressomd/espresso/pull/4714
|
|
|
93d3c0c |
Patch1: %{name}-tracers.patch
|
|
|
93d3c0c |
# fix for GCC compiler warning -Warray-bounds
|
|
|
93d3c0c |
# https://github.com/espressomd/espresso/pull/4715
|
|
|
93d3c0c |
Patch2: %{name}-array-bounds.patch
|
|
|
57bebf4 |
# fix API change in unittest from Python 3.12
|
|
|
57bebf4 |
# https://github.com/espressomd/espresso/pull/4852
|
|
|
57bebf4 |
Patch3: %{name}-unittest.patch
|
|
|
1fa67da |
# skip unit test with numerical instabilities
|
|
|
1fa67da |
# https://github.com/espressomd/espresso/issues/4853
|
|
|
1fa67da |
Patch4: %{name}-numerical.patch
|
|
|
c4e6bf7 |
# fix several occurrences of undefined behavior
|
|
|
c4e6bf7 |
# https://github.com/espressomd/espresso/issues/4856
|
|
|
c4e6bf7 |
Patch5: %{name}-mpi.patch
|
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|
786824f |
|
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|
2ac60cd |
BuildRequires: gcc-c++
|
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|
a1957a1 |
BuildRequires: cmake3 >= 3.16
|
|
|
000429f |
BuildRequires: /usr/bin/cython
|
|
|
22f3a14 |
%global cython /usr/bin/cython
|
|
Thomas Spura |
7edaf03 |
BuildRequires: fftw-devel
|
|
|
b12613d |
BuildRequires: python%{python3_pkgversion}-numpy
|
|
|
a1957a1 |
BuildRequires: python%{python3_pkgversion}-scipy
|
|
|
5994541 |
BuildRequires: python%{python3_pkgversion}-six
|
|
|
a1957a1 |
BuildRequires: python%{python3_pkgversion}-setuptools
|
|
|
4adfc44 |
BuildRequires: python%{python3_pkgversion}-packaging
|
|
|
b12613d |
BuildRequires: python%{python3_pkgversion}-devel
|
|
|
b12613d |
BuildRequires: boost-devel
|
|
|
b12613d |
BuildRequires: hdf5-devel
|
|
|
b12613d |
BuildRequires: gsl-devel
|
|
|
786824f |
BuildRequires: boost-devel
|
|
|
786824f |
BuildRequires: mpich-devel
|
|
|
786824f |
BuildRequires: boost-mpich-devel
|
|
|
777e480 |
BuildRequires: hdf5-mpich-devel
|
|
|
786824f |
BuildRequires: openmpi-devel
|
|
|
786824f |
BuildRequires: boost-openmpi-devel
|
|
|
777e480 |
BuildRequires: hdf5-openmpi-devel
|
|
|
988b654 |
BuildRequires: python%{python3_pkgversion}-h5py
|
|
Thomas Spura |
8afca25 |
|
|
|
b12613d |
Requires: python%{python3_pkgversion}-numpy
|
|
Thomas Spura |
8afca25 |
Requires: %{name}-common = %{version}-%{release}
|
|
|
3cc2bac |
Obsoletes: %{name}-devel < %{version}-%{release}
|
|
Thomas Spura |
8afca25 |
|
|
Thomas Spura |
8afca25 |
%description
|
|
Thomas Spura |
8afca25 |
ESPResSo can perform Molecular Dynamics simulations of bead-spring models
|
|
Thomas Spura |
8afca25 |
in various ensembles ((N,V,E), (N,V,T), and (N,p,T)).
|
|
Thomas Spura |
8afca25 |
ESPResSo contains a number of advanced algorithms, e.g.
|
|
Thomas Spura |
8afca25 |
* DPD thermostat (for hydrodynamics)
|
|
|
a1957a1 |
* P3M, MMM1D, ELC for electrostatic interactions
|
|
Thomas Spura |
d60f901 |
* Lattice-Boltzmann for hydrodynamics
|
|
Thomas Spura |
8afca25 |
|
|
Thomas Spura |
8afca25 |
%package common
|
|
Thomas Spura |
8afca25 |
Summary: Common files for %{name} packages
|
|
Thomas Spura |
8afca25 |
BuildArch: noarch
|
|
Thomas Spura |
8afca25 |
Requires: %{name}-common = %{version}-%{release}
|
|
Thomas Spura |
8afca25 |
%description common
|
|
Thomas Spura |
8afca25 |
ESPResSo can perform Molecular Dynamics simulations of bead-spring models
|
|
Thomas Spura |
8afca25 |
in various ensembles ((N,V,E), (N,V,T), and (N,p,T)).
|
|
Thomas Spura |
8afca25 |
ESPResSo contains a number of advanced algorithms, e.g.
|
|
Thomas Spura |
8afca25 |
* DPD thermostat (for hydrodynamics)
|
|
|
a1957a1 |
* P3M, MMM1D, ELC for electrostatic interactions
|
|
Thomas Spura |
d60f901 |
* Lattice-Boltzmann for hydrodynamics
|
|
|
786824f |
This package contains the license file and data files shared between the
|
|
|
cd1d6ad |
sub-packages of %{name}.
|
|
Thomas Spura |
8afca25 |
|
|
|
b12613d |
%package -n python%{python3_pkgversion}-%{name}-openmpi
|
|
Thomas Spura |
8afca25 |
Requires: %{name}-common = %{version}-%{release}
|
|
|
777e480 |
Requires: python%{python3_pkgversion}-h5py
|
|
|
783aa76 |
Suggests: python%{python3_pkgversion}-MDAnalysis
|
|
Thomas Spura |
8afca25 |
Summary: Extensible Simulation Package for Research on Soft matter
|
|
|
786824f |
Provides: %{name}-openmpi = %{version}-%{release}
|
|
|
786824f |
Obsoletes: %{name}-openmpi < 3.3.0-12
|
|
|
b12613d |
%description -n python%{python3_pkgversion}-%{name}-openmpi
|
|
Thomas Spura |
8afca25 |
ESPResSo can perform Molecular Dynamics simulations of bead-spring models
|
|
Thomas Spura |
8afca25 |
in various ensembles ((N,V,E), (N,V,T), and (N,p,T)).
|
|
Thomas Spura |
8afca25 |
ESPResSo contains a number of advanced algorithms, e.g.
|
|
Thomas Spura |
8afca25 |
* DPD thermostat (for hydrodynamics)
|
|
|
a1957a1 |
* P3M, MMM1D, ELC for electrostatic interactions
|
|
Thomas Spura |
d60f901 |
* Lattice-Boltzmann for hydrodynamics
|
|
Thomas Spura |
8afca25 |
|
|
Thomas Spura |
8afca25 |
This package contains %{name} compiled against Open MPI.
|
|
Thomas Spura |
8afca25 |
|
|
Thomas Spura |
8afca25 |
|
|
|
b12613d |
%package -n python%{python3_pkgversion}-%{name}-mpich
|
|
Thomas Spura |
8afca25 |
Requires: %{name}-common = %{version}-%{release}
|
|
|
777e480 |
Requires: python%{python3_pkgversion}-h5py
|
|
|
783aa76 |
Suggests: python%{python3_pkgversion}-MDAnalysis
|
|
Thomas Spura |
8afca25 |
Summary: Extensible Simulation Package for Research on Soft matter
|
|
Thomas Spura |
e0fad53 |
Provides: %{name}-mpich2 = %{version}-%{release}
|
|
Thomas Spura |
e0fad53 |
Obsoletes: %{name}-mpich2 < 3.1.1-3
|
|
|
786824f |
Provides: %{name}-mpich = %{version}-%{release}
|
|
|
786824f |
Obsoletes: %{name}-mpich < 3.3.0-12
|
|
|
b12613d |
%description -n python%{python3_pkgversion}-%{name}-mpich
|
|
Thomas Spura |
8afca25 |
ESPResSo can perform Molecular Dynamics simulations of bead-spring models
|
|
Thomas Spura |
8afca25 |
in various ensembles ((N,V,E), (N,V,T), and (N,p,T)).
|
|
Thomas Spura |
8afca25 |
ESPResSo contains a number of advanced algorithms, e.g.
|
|
Thomas Spura |
8afca25 |
* DPD thermostat (for hydrodynamics)
|
|
|
a1957a1 |
* P3M, MMM1D, ELC for electrostatic interactions
|
|
Thomas Spura |
d60f901 |
* Lattice-Boltzmann for hydrodynamics
|
|
Thomas Spura |
8afca25 |
|
|
Thomas Spura |
8afca25 |
This package contains %{name} compiled against MPICH2.
|
|
Thomas Spura |
8afca25 |
|
|
Thomas Spura |
8afca25 |
|
|
Thomas Spura |
8afca25 |
%prep
|
|
|
d4b8cfe |
%setup -q -n %{name}
|
|
|
4adfc44 |
%patch 0 -p1
|
|
|
93d3c0c |
%patch 1 -p1
|
|
|
93d3c0c |
%patch 2 -p1
|
|
|
57bebf4 |
%patch 3 -p1
|
|
|
1fa67da |
%patch 4 -p1
|
|
|
c4e6bf7 |
%patch 5 -p1
|
|
Thomas Spura |
8afca25 |
|
|
Thomas Spura |
8afca25 |
%build
|
|
|
786824f |
%global defopts \\\
|
|
|
786824f |
-DWITH_PYTHON=ON \\\
|
|
|
786824f |
-DWITH_TESTS=ON \\\
|
|
|
f6b3172 |
-DCMAKE_SKIP_RPATH=ON \\\
|
|
|
22f3a14 |
-DINSTALL_PYPRESSO=OFF \\\
|
|
|
37ad3e2 |
-DCTEST_ARGS=%{?_smp_mflags} \\\
|
|
|
33df828 |
-DWITH_CUDA=OFF \\\
|
|
|
33df828 |
-DWITH_HDF5=OFF \\\
|
|
|
33df828 |
-DWITH_GSL=ON \\\
|
|
|
33df828 |
-DPYTHON_INSTDIR=${MPI_PYTHON3_SITEARCH} \\\
|
|
|
33df828 |
-DPYTHON_EXECUTABLE=%{__python3} \\\
|
|
|
22f3a14 |
-DCYTHON_EXECUTABLE=%{cython}
|
|
|
12b1bb2 |
%global _vpath_builddir ${mpi:-serial}
|
|
|
12b1bb2 |
|
|
|
12b1bb2 |
# https://github.com/espressomd/espresso/issues/3396
|
|
|
12b1bb2 |
%global _lto_cflags %{nil}
|
|
Thomas Spura |
8afca25 |
|
|
|
3cc2bac |
for mpi in mpich openmpi ; do
|
|
|
3cc2bac |
module load mpi/${mpi}-%{_arch}
|
|
|
46b048c |
old_LDFLAGS="${LDFLAGS}"
|
|
|
b47932e |
export LDFLAGS="${LDFLAGS} -Wl,-rpath,${MPI_PYTHON3_SITEARCH}/%{name}md"
|
|
|
33df828 |
%{cmake3} %{defopts}
|
|
|
12b1bb2 |
export LD_LIBRARY_PATH=$PWD/${mpi:-serial}/src/config
|
|
|
12b1bb2 |
%cmake3_build
|
|
|
b47932e |
export LDFLAGS="${old_LDFLAGS}"
|
|
|
3cc2bac |
module unload mpi/${mpi}-%{_arch}
|
|
|
3cc2bac |
done
|
|
Thomas Spura |
8afca25 |
|
|
Thomas Spura |
8afca25 |
%install
|
|
|
3cc2bac |
for mpi in mpich openmpi ; do
|
|
|
3cc2bac |
module load mpi/${mpi}-%{_arch}
|
|
|
12b1bb2 |
%cmake3_install
|
|
|
3cc2bac |
module unload mpi/${mpi}-%{_arch}
|
|
|
3cc2bac |
done
|
|
Thomas Spura |
8afca25 |
|
|
Thomas Spura |
8afca25 |
%check
|
|
|
12b1bb2 |
export CTEST_OUTPUT_ON_FAILURE=1
|
|
|
91da858 |
# exclude openmpi, see https://github.com/espressomd/espresso/issues/3905
|
|
|
91da858 |
# and https://bugzilla.redhat.com/show_bug.cgi?id=2113214
|
|
|
91da858 |
for mpi in mpich; do
|
|
|
3cc2bac |
module load mpi/${mpi}-%{_arch}
|
|
|
12b1bb2 |
export LD_LIBRARY_PATH=${MPI_LIB}:%{buildroot}${MPI_PYTHON3_SITEARCH}/%{name}md
|
|
|
12b1bb2 |
%cmake3_build --target check
|
|
|
3cc2bac |
module unload mpi/${mpi}-%{_arch}
|
|
|
3cc2bac |
done
|
|
Thomas Spura |
8afca25 |
|
|
Thomas Spura |
8afca25 |
%files common
|
|
|
a1957a1 |
%doc AUTHORS Readme.md NEWS ChangeLog
|
|
|
786824f |
%license COPYING
|
|
Thomas Spura |
8afca25 |
|
|
|
b12613d |
%files -n python%{python3_pkgversion}-%{name}-openmpi
|
|
|
3cc2bac |
%{python3_sitearch}/openmpi/%{name}md/
|
|
Thomas Spura |
8afca25 |
|
|
|
b12613d |
%files -n python%{python3_pkgversion}-%{name}-mpich
|
|
|
3cc2bac |
%{python3_sitearch}/mpich/%{name}md/
|
|
Thomas Spura |
8afca25 |
|
|
Thomas Spura |
8afca25 |
%changelog
|
|
|
c4e6bf7 |
* Tue Feb 27 2024 Jean-Noël Grad <jgrad@icp.uni-stuttgart.de> - 4.2.1-11
|
|
|
c4e6bf7 |
- Fix several occurrences of undefined behavior
|
|
|
c4e6bf7 |
- Build and test with all available cores
|
|
|
c4e6bf7 |
|
|
|
1fa67da |
* Tue Jan 23 2024 Jean-Noël Grad <jgrad@icp.uni-stuttgart.de> - 4.2.1-10
|
|
|
1fa67da |
- Skip unit test with numerical instabilities
|
|
|
1fa67da |
|
|
|
9ebc131 |
* Mon Jan 22 2024 Jean-Noël Grad <jgrad@icp.uni-stuttgart.de> - 4.2.1-9
|
|
|
9ebc131 |
- Remove support for hdf5
|
|
|
9ebc131 |
|
|
|
57bebf4 |
* Mon Jan 22 2024 Jean-Noël Grad <jgrad@icp.uni-stuttgart.de> - 4.2.1-8
|
|
|
57bebf4 |
- Fix for API change in unittest from Python 3.12
|
|
|
57bebf4 |
|
|
|
0ee6a77 |
* Fri Jan 19 2024 Fedora Release Engineering <releng@fedoraproject.org> - 4.2.1-7
|
|
|
0ee6a77 |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
|
|
|
0ee6a77 |
|
|
|
60f0c7a |
* Wed Jan 17 2024 Jonathan Wakely <jwakely@redhat.com> - 4.2.1-6
|
|
|
60f0c7a |
- Rebuilt for Boost 1.83
|
|
|
60f0c7a |
|
|
|
5515618 |
* Wed Jul 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 4.2.1-5
|
|
|
5515618 |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild
|
|
|
5515618 |
|
|
|
5132330 |
* Wed Jul 12 2023 Python Maint <python-maint@redhat.com> - 4.2.1-4
|
|
|
5132330 |
- Rebuilt for Python 3.12
|
|
|
5132330 |
|
|
|
93d3c0c |
* Wed Apr 26 2023 Jean-Noël Grad <jgrad@icp.uni-stuttgart.de> - 4.2.1-3
|
|
|
93d3c0c |
- Fix LB inertialess tracers bug, fix compiler warnings
|
|
|
93d3c0c |
|
|
|
4adfc44 |
* Tue Apr 18 2023 Jean-Noël Grad <jgrad@icp.uni-stuttgart.de> - 4.2.1-2
|
|
|
4adfc44 |
- Fix for API change in setuptools 67.3.0
|
|
|
4adfc44 |
|
|
|
d183a4a |
* Mon Apr 17 2023 Jean-Noël Grad <jgrad@icp.uni-stuttgart.de> - 4.2.1-1
|
|
|
d183a4a |
- Version bump to v4.2.1
|
|
|
d183a4a |
|
|
|
b968acf |
* Sat Apr 01 2023 Jean-Noël Grad <jgrad@icp.uni-stuttgart.de> - 4.2.0-8
|
|
|
b968acf |
- Skip fragile ICC python interface test
|
|
|
b968acf |
|
|
|
f05b6bd |
* Mon Feb 20 2023 Jonathan Wakely <jwakely@redhat.com> - 4.2.0-7
|
|
|
f05b6bd |
- Rebuilt for Boost 1.81
|
|
|
f05b6bd |
|
|
|
9a39e7a |
* Thu Jan 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 4.2.0-6
|
|
|
9a39e7a |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild
|
|
|
9a39e7a |
|
|
|
c7fa1d3 |
* Wed Dec 21 2022 Jean-Noël Grad <jgrad@icp.uni-stuttgart.de> - 4.2.0-5
|
|
|
c7fa1d3 |
- Fix Python errors from numpy 1.24
|
|
|
c7fa1d3 |
|
|
|
4615002 |
* Tue Aug 23 2022 Mamoru TASAKA <mtasaka@fedoraproject.org> - 4.2.0-4
|
|
|
4615002 |
- Rebuild for gsl-2.7.1
|
|
|
4615002 |
|
|
|
91da858 |
* Tue Aug 02 2022 Jean-Noël Grad <jgrad@icp.uni-stuttgart.de> - 4.2.0-3
|
|
|
91da858 |
- Disable OpenMPI tests
|
|
|
91da858 |
|
|
|
5f04fdc |
* Thu Jul 21 2022 Fedora Release Engineering <releng@fedoraproject.org> - 4.2.0-2
|
|
|
5f04fdc |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild
|
|
|
5f04fdc |
|
|
|
a1957a1 |
* Thu Jun 30 2022 Jean-Noël Grad <jgrad@icp.uni-stuttgart.de> - 4.2.0-1
|
|
|
a1957a1 |
- Version bump to v4.2.0
|
|
|
a1957a1 |
|
|
|
6aef237 |
* Tue Jun 14 2022 Python Maint <python-maint@redhat.com> - 4.1.4-13
|
|
|
6aef237 |
- Rebuilt for Python 3.11
|
|
|
6aef237 |
|
|
|
8bbe82a |
* Wed May 04 2022 Thomas Rodgers <trodgers@redhat.com> - 4.1.4-12
|
|
|
8bbe82a |
- Rebuilt for Boost 1.78
|
|
|
8bbe82a |
|
|
|
2ffe301 |
* Wed Jan 26 2022 Jean-Noël Grad <jgrad@icp.uni-stuttgart.de> - 4.1.4-11
|
|
|
2ffe301 |
- Rebuild with CMake fixes and without distutils
|
|
|
2ffe301 |
|
|
|
9d1fd26 |
* Thu Jan 20 2022 Jean-Noël Grad <jgrad@icp.uni-stuttgart.de> - 4.1.4-10
|
|
|
9d1fd26 |
- Rebuild for GCC 12.0.0
|
|
|
9d1fd26 |
|
|
|
56e84e9 |
* Thu Jan 20 2022 Fedora Release Engineering <releng@fedoraproject.org> - 4.1.4-9
|
|
|
56e84e9 |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild
|
|
|
56e84e9 |
|
|
|
d3299d7 |
* Sun Nov 21 2021 Orion Poplawski <orion@nwra.com> - 4.1.4-8
|
|
|
d3299d7 |
- Rebuild for hdf5 1.12.1
|
|
|
d3299d7 |
|
|
|
f46d98e |
* Tue Aug 10 2021 Orion Poplawski <orion@nwra.com> - 4.1.4-7
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f46d98e |
- Rebuild for hdf5 1.10.7
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f46d98e |
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d21b473 |
* Fri Aug 06 2021 Jonathan Wakely <jwakely@redhat.com> - 4.1.4-6
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d21b473 |
- Rebuilt for Boost 1.76
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d21b473 |
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f0f23fa |
* Wed Jul 21 2021 Fedora Release Engineering <releng@fedoraproject.org> - 4.1.4-5
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f0f23fa |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild
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f0f23fa |
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4525280 |
* Fri Jun 04 2021 Python Maint <python-maint@redhat.com> - 4.1.4-4
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4525280 |
- Rebuilt for Python 3.10
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4525280 |
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6533088 |
* Tue Jan 26 2021 Fedora Release Engineering <releng@fedoraproject.org> - 4.1.4-3
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6533088 |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild
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6533088 |
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4362543 |
* Fri Jan 22 2021 Jonathan Wakely <jwakely@redhat.com> - 4.1.4-2
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4362543 |
- Rebuilt for Boost 1.75
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4362543 |
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e7dd6ef |
* Tue Oct 20 2020 Christoph Junghans <junghans@votca.org> - 4.1.4-1
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e7dd6ef |
- Version bump to v4.1.4 (bug #1889614)
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e7dd6ef |
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77dad47 |
* Mon Oct 19 2020 Jeff Law <law@redhat.com> - 4.1.3-4
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77dad47 |
- Fix missing #includes from gcc-10
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77dad47 |
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d63d372 |
* Sat Aug 01 2020 Fedora Release Engineering <releng@fedoraproject.org> - 4.1.3-3
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d63d372 |
- Second attempt - Rebuilt for
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d63d372 |
https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild
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d63d372 |
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522f10a |
* Mon Jul 27 2020 Fedora Release Engineering <releng@fedoraproject.org> - 4.1.3-2
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522f10a |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild
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522f10a |
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8f2c3dc |
* Wed Jul 08 2020 Christoph Junghans <junghans@votca.org> - 4.1.3-1
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8f2c3dc |
- version bump to v4.1.3 (bug #1855054)
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8f2c3dc |
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33a67c1 |
* Fri Jul 03 2020 Christoph Junghans <junghans@votca.org> - 4.1.2-5
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33a67c1 |
- Rebuild for hdf5 1.10.6
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33a67c1 |
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34259b4 |
* Thu Jun 11 2020 Christoph Junghans <junghans@votca.org> - 4.1.2-4
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34259b4 |
- fix build with boost-1.73
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34259b4 |
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6a6000d |
* Tue May 26 2020 Miro Hrončok <mhroncok@redhat.com> - 4.1.2-3
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6a6000d |
- Rebuilt for Python 3.9
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6a6000d |
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2256aed |
* Tue Jan 28 2020 Fedora Release Engineering <releng@fedoraproject.org> - 4.1.2-2
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2256aed |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild
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2256aed |
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b47932e |
* Fri Dec 13 2019 Christoph Junghans <junghans@votca.org> - 4.1.2-1
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b47932e |
- Version bump to v4.1.2 (bug #1783470)
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b47932e |
- Drop 3312.patch got merge upstream
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b47932e |
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f6b3172 |
* Fri Nov 15 2019 Christoph Junghans <junghans@votca.org> - 4.1.1-2
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f6b3172 |
- Remove rpath
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f6b3172 |
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c27990a |
* Wed Nov 13 2019 Christoph Junghans <junghans@votca.org> - 4.1.1-1
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c27990a |
- Version bump to v4.1.1
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c27990a |
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3cc2bac |
* Tue Oct 01 2019 Christoph Junghans <junghans@votca.org> - 4.1.0-1
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|
3cc2bac |
- Version bump to v4.1.0 (bug #1757509)
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3cc2bac |
- updated 2946.patch to 3228.diff
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3cc2bac |
- major spec clean up
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3cc2bac |
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783aa76 |
* Wed Sep 11 2019 Christoph Junghans <junghans@votca.org> - 4.0.2-8
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783aa76 |
- MDAnalysis is optional
|
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783aa76 |
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988b654 |
* Tue Sep 03 2019 Christoph Junghans <junghans@votca.org> - 4.0.2-7
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988b654 |
- fix deps, h5py is needed at cmake time
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988b654 |
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717c28a |
* Tue Aug 20 2019 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.0.2-6
|
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717c28a |
- Rebuilt for GSL 2.6.
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717c28a |
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7ddf0f8 |
* Mon Aug 19 2019 Miro Hrončok <mhroncok@redhat.com> - 4.0.2-5
|
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|
7ddf0f8 |
- Rebuilt for Python 3.8
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7ddf0f8 |
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4d46c01 |
* Wed Jul 24 2019 Fedora Release Engineering <releng@fedoraproject.org> - 4.0.2-4
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4d46c01 |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild
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4d46c01 |
|
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da0da95 |
* Wed Jun 26 2019 Christoph Junghans <junghans@votca.org> - 4.0.2-3
|
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|
da0da95 |
- add missing soversion to libH5mdCore
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da0da95 |
|
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777e480 |
* Tue Jun 25 2019 Christoph Junghans <junghans@votca.org> - 4.0.2-2
|
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|
777e480 |
- enable hdf5 support
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777e480 |
|
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d4b8cfe |
* Wed Apr 24 2019 Christoph Junghans <junghans@votca.org> - 4.0.2-1
|
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|
d4b8cfe |
- Version bump to 4.0.2
|
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d4b8cfe |
|
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410c15f |
* Thu Feb 14 2019 Orion Poplawski <orion@nwra.com> - 4.0.1-3
|
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|
410c15f |
- Rebuild for openmpi 3.1.3
|
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410c15f |
|
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|
958336f |
* Thu Jan 31 2019 Fedora Release Engineering <releng@fedoraproject.org> - 4.0.1-2
|
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|
958336f |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild
|
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|
f221690 |
- Rebuilt to change main python from 3.4 to 3.6 (on epel7)
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d1af54d |
|
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|
685ddaa |
* Fri Jan 25 2019 Christoph Junghans <junghans@votca.org> - 4.0.1-1
|
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|
685ddaa |
- version bump to 4.0.1
|
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685ddaa |
|
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|
b12613d |
* Fri Sep 07 2018 Christoph Junghans <junghans@votca.org> - 4.0.0-1
|
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|
a5f8e9c |
- version bump to 4.0.0 (bug #1625379)
|
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|
a5f8e9c |
- move to python3
|
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b12613d |
|
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|
28e32e3 |
* Fri Jul 13 2018 Fedora Release Engineering <releng@fedoraproject.org> - 4.0-0.12.20180203gitf74064d
|
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|
28e32e3 |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild
|
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28e32e3 |
|
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|
5198ebe |
* Tue Feb 06 2018 Iryna Shcherbina <ishcherb@redhat.com> - 4.0-0.11.20180203gitf74064d
|
|
|
5198ebe |
- Update Python 2 dependency declarations to new packaging standards
|
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5198ebe |
(See https://fedoraproject.org/wiki/FinalizingFedoraSwitchtoPython3)
|
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5198ebe |
|
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e84fdfd |
* Sun Feb 04 2018 Christoph Junghans <junghans@votca.org> - 4.0-0.10.20170220git7a9ac74
|
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|
e84fdfd |
- added 1830.patch to fix install (missing libEspressoConfig)
|
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e84fdfd |
|
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|
e84fdfd |
* Sat Feb 03 2018 Christoph Junghans <junghans@votca.org> - 4.0-0.9.20170220git7a9ac74
|
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|
5ca9ffa |
- Bump to version 4.0 git version f74064d
|
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|
e84fdfd |
- Drop 1056.patch, got merged upstream
|
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5ca9ffa |
|
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|
7098297 |
* Wed Aug 02 2017 Fedora Release Engineering <releng@fedoraproject.org> - 4.0-0.8.20170228git8a021f5
|
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|
7098297 |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild
|
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7098297 |
|
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|
75d54a7 |
* Wed Jul 26 2017 Fedora Release Engineering <releng@fedoraproject.org> - 4.0-0.7.20170228git8a021f5
|
|
|
75d54a7 |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild
|
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75d54a7 |
|
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76d21c5 |
* Wed Jul 19 2017 Jonathan Wakely <jwakely@redhat.com> - 4.0-0.6.20170228git8a021f5
|
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|
76d21c5 |
- Rebuilt for s390x binutils bug
|
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76d21c5 |
|
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10c9b59 |
* Tue Jul 18 2017 Jonathan Wakely <jwakely@redhat.com> - 4.0-0.5.20170228git8a021f5
|
|
|
10c9b59 |
- Rebuilt for Boost 1.64
|
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10c9b59 |
|
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|
d8b4e76 |
* Sun Mar 12 2017 Peter Robinson <pbrobinson@fedoraproject.org> 4.0-0.4.20170228git8a021f5
|
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|
d8b4e76 |
- Drop ExcludeArch as boost-mpi is now built on ppc64le
|
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d8b4e76 |
|
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|
cd1d6ad |
* Sun Mar 05 2017 Christoph Junghans <junghans@votca.org> - 4.0-0.3.20170228git8a021f5
|
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|
cd1d6ad |
- Dropped 1042.patch, merged upstream
|
|
|
cd1d6ad |
- Add 1056.patch to fix install
|
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cd1d6ad |
|
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|
4bbb85a |
* Sat Feb 25 2017 Christoph Junghans <junghans@votca.org> - 4.0-0.2.20170220git7a9ac74
|
|
|
4bbb85a |
- ExcludeArch: ppc64le due to missing boost-mpi
|
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4bbb85a |
|
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786824f |
* Thu Feb 16 2017 Christoph Junghans <junghans@votca.org> - 4.0-0.1.20170220git7a9ac74
|
|
|
786824f |
- Bump to version 4.0 git version
|
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|
786824f |
- Drop cypthon patch, incl. upstream
|
|
|
786824f |
- Add 1042.patch from upstream
|
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786824f |
|
|
|
cbe0465 |
* Fri Feb 10 2017 Fedora Release Engineering <releng@fedoraproject.org> - 3.3.0-11
|
|
|
cbe0465 |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild
|
|
|
cbe0465 |
|
|
Orion Poplawski |
13b7c24 |
* Fri Oct 21 2016 Orion Poplawski <orion@cora.nwra.com> - 3.3.0-10
|
|
Orion Poplawski |
13b7c24 |
- Rebuild for openmpi 2.0
|
|
Orion Poplawski |
13b7c24 |
|
|
|
5efb3f9 |
* Wed Feb 03 2016 Fedora Release Engineering <releng@fedoraproject.org> - 3.3.0-9
|
|
|
5efb3f9 |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild
|
|
|
5efb3f9 |
|
|
Orion Poplawski |
5ad7b7f |
* Tue Sep 15 2015 Orion Poplawski <orion@cora.nwra.com> - 3.3.0-8
|
|
Orion Poplawski |
5ad7b7f |
- Rebuild for openmpi 1.10.0
|
|
Orion Poplawski |
5ad7b7f |
|
|
|
77e013f |
* Sat Aug 15 2015 Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 3.3.0-7
|
|
|
77e013f |
- Rebuild for MPI provides
|
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77e013f |
|
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|
647ba69 |
* Sun Jul 26 2015 Sandro Mani <manisandro@gmail.com> - 3.3.0-6
|
|
|
647ba69 |
- Rebuild for RPM MPI Requires Provides Change
|
|
|
647ba69 |
|
|
|
55d85b5 |
* Wed Jun 17 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.3.0-5
|
|
|
55d85b5 |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild
|
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55d85b5 |
|
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|
fb34985 |
* Sat May 02 2015 Kalev Lember <kalevlember@gmail.com> - 3.3.0-4
|
|
|
fb34985 |
- Rebuilt for GCC 5 C++11 ABI change
|
|
|
fb34985 |
|
|
Thomas Spura |
808fcf2 |
* Thu Mar 12 2015 Thomas Spura <tomspur@fedoraproject.org> - 3.3.0-3
|
|
Thomas Spura |
808fcf2 |
- Rebuild for changed mpich libraries
|
|
Thomas Spura |
8068826 |
- Added patch for building with cython-0.22
|
|
Thomas Spura |
481c1d4 |
- Remove group tag
|
|
Thomas Spura |
808fcf2 |
|
|
|
41ef0bb |
* Sat Aug 16 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.3.0-2
|
|
|
41ef0bb |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild
|
|
|
41ef0bb |
|
|
Thomas Spura |
dd56092 |
* Mon Aug 11 2014 Thomas Spura <tomspur@fedoraproject.org> - 3.3.0-1
|
|
Thomas Spura |
dd56092 |
- update to 3.3.0
|
|
Thomas Spura |
dd56092 |
|
|
|
732f86d |
* Sat Jun 07 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.2.0-4
|
|
|
732f86d |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild
|
|
|
732f86d |
|
|
Thomas Spura |
5fc8faf |
* Wed May 28 2014 Thomas Spura <tomspur@fedoraproject.org> - 3.2.0-3
|
|
Thomas Spura |
5fc8faf |
- Rebuilt for https://fedoraproject.org/wiki/Changes/f21tcl86
|
|
Thomas Spura |
5fc8faf |
|
|
Thomas Spura |
1ee6a4b |
* Sun May 25 2014 Thomas Spura <tomspur@fedoraproject.org> - 3.2.0-2
|
|
Thomas Spura |
1ee6a4b |
- run autoreconf in %%build to support aarch64
|
|
Thomas Spura |
1ee6a4b |
|
|
Thomas Spura |
e0fad53 |
* Sat May 24 2014 Thomas Spura <tomspur@fedoraproject.org> - 3.2.0-1
|
|
Thomas Spura |
e0fad53 |
- update to 3.2.0
|
|
Thomas Spura |
e0fad53 |
|
|
|
b552013 |
* Wed May 21 2014 Jaroslav Škarvada <jskarvad@redhat.com> - 3.1.1-6
|
|
|
b552013 |
- Rebuilt for https://fedoraproject.org/wiki/Changes/f21tcl86
|
|
|
b552013 |
|
|
Deji Akingunola |
c33f149 |
* Sat Feb 22 2014 Deji Akingunola <dakingun@gmail.com> - 3.1.1-5
|
|
Deji Akingunola |
c33f149 |
- Rebuild for mpich-3.1
|
|
Deji Akingunola |
c33f149 |
|
|
|
79e3b4c |
* Sat Aug 03 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.1.1-4
|
|
|
79e3b4c |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild
|
|
|
79e3b4c |
|
|
Deji Akingunola |
a46525b |
* Sat Jul 20 2013 Deji Akingunola <dakingun@gmail.com> - 3.1.1-3
|
|
Deji Akingunola |
a46525b |
- Rename mpich2 sub-packages to mpich and rebuild for mpich-3.0
|
|
Deji Akingunola |
a46525b |
|
|
|
be2624e |
* Wed Feb 13 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.1.1-2
|
|
|
be2624e |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild
|
|
|
be2624e |
|
|
Thomas Spura |
136457d |
* Wed Nov 14 2012 Thomas Spura <tomspur@fedoraproject.org> - 3.1.1-1
|
|
Thomas Spura |
136457d |
- rebuild for newer mpich2
|
|
Thomas Spura |
136457d |
- update to new version
|
|
Thomas Spura |
136457d |
- disable tk per upstream request
|
|
Thomas Spura |
136457d |
- drop patch
|
|
Thomas Spura |
136457d |
|
|
|
3ae5ab2 |
* Thu Jul 19 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.0.2-4
|
|
|
3ae5ab2 |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild
|
|
|
3ae5ab2 |
|
|
|
3b2e841 |
* Fri Jan 13 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.0.2-3
|
|
|
3b2e841 |
- Rebuilt for https://fedoraproject.org/wiki/Fedora_17_Mass_Rebuild
|
|
|
3b2e841 |
|
|
Thomas Spura |
8afca25 |
* Wed Oct 26 2011 Thomas Spura <tomspur@fedoraproject.org> - 3.0.2-2
|
|
Thomas Spura |
8afca25 |
- add missing BR autoconf/automake
|
|
Thomas Spura |
8afca25 |
- use _isa where possible
|
|
Thomas Spura |
8afca25 |
- use general tclsh shebang
|
|
Thomas Spura |
8afca25 |
- build --with-tk
|
|
Thomas Spura |
8afca25 |
|
|
Thomas Spura |
8afca25 |
* Thu Oct 6 2011 Thomas Spura <tomspur@fedoraproject.org> - 3.0.2-1
|
|
Thomas Spura |
8afca25 |
- update to new version
|
|
Thomas Spura |
8afca25 |
- introduce configure_mpi
|
|
Thomas Spura |
8afca25 |
|
|
Thomas Spura |
8afca25 |
* Sun Sep 25 2011 Thomas Spura <tomspur@fedoraproject.org> - 3.0.1-3
|
|
Thomas Spura |
8afca25 |
- use correct MPI_SUFFIX
|
|
Thomas Spura |
8afca25 |
- don't install library as upstream doesn't support it anymore
|
|
Thomas Spura |
8afca25 |
|
|
Thomas Spura |
8afca25 |
* Sun Sep 25 2011 Thomas Spura <tomspur@fedoraproject.org> - 3.0.1-2
|
|
Thomas Spura |
8afca25 |
- correctly install into _libdir/openmpi and not _libdir/name-openmpi
|
|
Thomas Spura |
8afca25 |
|
|
Thomas Spura |
8afca25 |
* Fri Sep 16 2011 Thomas Spura <tomspur@fedoraproject.org> - 3.0.1-1
|
|
Thomas Spura |
8afca25 |
- initial packaging
|