4472f9
#global _rcname rc1
4472f9
#global _rc -%%_rcname
bc88d5
Dominik Mierzejewski 3af74f
%global with_opencl 1
a7141a
# compilation of OpenCL support is failing only on ppc64le (retested 15 Feb 2019)
a7141a
# only 64-bit archs: https://redmine.gromacs.org/issues/2821
a7141a
%ifarch i686 %arm ppc64le
Dominik Mierzejewski 3af74f
%global with_opencl 0
Dominik Mierzejewski 3af74f
%endif
03eeda
03eeda
%global simd None
03eeda
%ifarch x86_64
03eeda
%global simd SSE2
03eeda
%endif
c4207b
%ifarch i686
c4207b
%global simd SSE2
c4207b
%endif
Dominik Mierzejewski d2e9bc
%ifarch ppc64p7
Dominik Mierzejewski d2e9bc
%global simd IBM_VMX
a24704
%endif
6e9b7a
# https://bugzilla.redhat.com/show_bug.cgi?id=1799473#c4
6e9b7a
#ifarch ppc64le
6e9b7a
#global simd IBM_VSX
6e9b7a
#endif
Dominik 'Rathann' Mierzejewski 9c7498
%ifarch armv7hnl
Dominik 'Rathann' Mierzejewski 9c7498
%global simd ARM_NEON
a24704
%endif
a24704
%ifarch aarch64
a24704
%global simd ARM_NEON_ASIMD
a24704
%endif
dd1e26
6e06a8
Name:		gromacs
069304
Version:	2019.6
9ab1c2
Release:	2%{?dist}
4fd2f7
Summary:	Fast, Free and Flexible Molecular Dynamics
6e06a8
License:	GPLv2+
6e06a8
URL:		http://www.gromacs.org
c0d315
01913d
Source0:	ftp://ftp.gromacs.org/pub/gromacs/gromacs-%{version}%{?_rc}.tar.gz
01913d
Source1:	ftp://ftp.gromacs.org/pub/manual/manual-%{version}%{?_rc}.pdf
c245cf
# Too britle sind 2018.2
c4207b
Source2:	http://gerrit.gromacs.org/download/regressiontests-%{version}%{?_rc}.tar.gz
368673
Source3:	gromacs-README.fedora
91cb19
# fix path to packaged dssp
91cb19
# https://bugzilla.redhat.com/show_bug.cgi?id=1203754
91cb19
Patch0:		gromacs-dssp-path.patch
17c39b
# enable some test on aarch64 - https://redmine.gromacs.org/issues/2366
17c39b
# bug#1558206
a7141a
Patch1:		gromacs-issue-2366.patch
c3a5a1
BuildRequires:	gcc-c++
c245cf
BuildRequires:  cmake3 >= 3.4.3
c245cf
BuildRequires:	openblas-devel
6e06a8
BuildRequires:	fftw-devel
6e06a8
BuildRequires:	gsl-devel
Dominik 'Rathann' Mierzejewski ec7612
BuildRequires:	hwloc
Dominik Mierzejewski 598c20
BuildRequires:	hwloc-devel
6e06a8
BuildRequires:	libX11-devel
Dominik Mierzejewski 0018e3
BuildRequires:	lmfit-devel >= 6.0
Dominik Mierzejewski 3af74f
%if %{with_opencl}
dbabc0
BuildRequires:	ocl-icd-devel
dbabc0
BuildRequires:	opencl-headers
Dominik Mierzejewski a23d19
Recommends:	gromacs-opencl = %{version}-%{release}
dbabc0
%endif
Dominik Mierzejewski 0018e3
BuildRequires:	tng-devel
5520db
BuildRequires:	bash-completion
9ab1c2
%ifnarch i686 %arm ppc64le
9ab1c2
# Dependencies used for regressiontest
9ab1c2
BuildRequires:	perl(Carp)
9ab1c2
BuildRequires:	perl(Cwd)
9ab1c2
BuildRequires:	perl(Exporter)
9ab1c2
BuildRequires:	perl(File::Basename)
9ab1c2
BuildRequires:	perl(File::Copy)
9ab1c2
BuildRequires:	perl(File::Spec)
9ab1c2
BuildRequires:	perl(lib)
9ab1c2
BuildRequires:	perl(List::Util)
9ab1c2
BuildRequires:	perl(strict)
9ab1c2
BuildRequires:	perl(vars)
9ab1c2
%endif
5520db
%define compdir %(pkg-config --variable=completionsdir bash-completion)
5520db
%if "%{compdir}" == ""
5520db
%define compdir "/etc/bash_completion.d"
5520db
%endif
1b055a
Requires:	gromacs-common = %{version}-%{release}
Dominik Mierzejewski e8db2c
Requires:	gromacs-libs = %{version}-%{release}
205578
Obsoletes:	gromacs-ngmx < 5.0.4-1
5520db
Obsoletes:	gromacs-csh < 2016.1-2
5520db
Obsoletes:	gromacs-zsh < 2016.1-2
b830fd
6e06a8
%description
4fd2f7
GROMACS is a versatile and extremely well optimized package to perform
4fd2f7
molecular dynamics computer simulations and subsequent trajectory analysis.
5520db
It is developed for bio-molecules like proteins, but the extremely high
4fd2f7
performance means it is used also in several other field like polymer chemistry
4fd2f7
and solid state physics.
6e06a8
6e06a8
This package provides single and double precision binaries.
6e06a8
The documentation is in the package gromacs-common.
6e06a8
939be9
mdrun has been compiled with thread parallellization, so it runs in parallel
939be9
on shared memory systems. If you want to run on a cluster, you probably want
939be9
to install one of the MPI parallellized packages.
939be9
4fd2f7
N.B. All binaries have names starting with g_, for example mdrun has been
4fd2f7
renamed to g_mdrun.
4fd2f7
4fd2f7
6e06a8
%package common
6e06a8
Summary:	GROMACS shared data and documentation
1b055a
BuildArch:	noarch
205578
Provides:	gromacs-bash = %{version}-%{release}
205578
Obsoletes:	gromacs-bash < 5.0.4-1
6e06a8
6e06a8
%description common
4fd2f7
GROMACS is a versatile and extremely well optimized package to perform
4fd2f7
molecular dynamics computer simulations and subsequent trajectory analysis.
5520db
It is developed for bio-molecules like proteins, but the extremely high
4fd2f7
performance means it is used also in several other field like polymer chemistry
4fd2f7
and solid state physics.
6e06a8
91cb19
This package includes architecture independent data and HTML documentation.
91cb19
91cb19
bc88d5
%if %{with_opencl}
dbabc0
%package opencl
dbabc0
Summary:	GROMACS OpenCL kernels
dbabc0
# suggest installing a GPU-based OpenCL implementation
dbabc0
Suggests:	beignet
dbabc0
Suggests:	mesa-libOpenCL
dbabc0
# or at least a CPU-based one
dbabc0
Suggests:	pocl
dbabc0
dbabc0
%description opencl
dbabc0
GROMACS is a versatile and extremely well optimized package to perform
dbabc0
molecular dynamics computer simulations and subsequent trajectory analysis.
5520db
It is developed for bio-molecules like proteins, but the extremely high
dbabc0
performance means it is used also in several other field like polymer chemistry
dbabc0
and solid state physics.
dbabc0
dbabc0
This package includes the OpenCL kernels.
bc88d5
%endif
dbabc0
dbabc0
91cb19
%package doc
91cb19
Summary:	GROMACS manual
91cb19
BuildArch:	noarch
2556ee
Obsoletes: gromacs-common < 5.0.5-2
91cb19
91cb19
%description doc
91cb19
GROMACS is a versatile and extremely well optimized package to perform
91cb19
molecular dynamics computer simulations and subsequent trajectory analysis.
5520db
It is developed for bio-molecules like proteins, but the extremely high
91cb19
performance means it is used also in several other field like polymer chemistry
91cb19
and solid state physics.
91cb19
91cb19
This package the manual in PDF format.
6e06a8
6e06a8
6e06a8
%package devel
6e06a8
Summary:	GROMACS header files and development libraries
Dominik Mierzejewski e8db2c
Requires:	gromacs-libs = %{version}-%{release}
Dominik Mierzejewski af6343
Obsoletes:	gromacs-mpich-devel < 2016-0.1.20160318gitbec9c87
Dominik Mierzejewski af6343
Obsoletes:	gromacs-openmpi-devel < 2016-0.1.20160318gitbec9c87
6e06a8
6e06a8
%description devel
4fd2f7
GROMACS is a versatile and extremely well optimized package to perform
4fd2f7
molecular dynamics computer simulations and subsequent trajectory analysis.
5520db
It is developed for bio-molecules like proteins, but the extremely high
4fd2f7
performance means it is used also in several other field like polymer chemistry
4fd2f7
and solid state physics.
4fd2f7
4fd2f7
This package contains header files and development libraries for the GROMACS
4fd2f7
molecular dynamics software. You need it if you want to write your own analysis
4fd2f7
programs.
4fd2f7
4fd2f7
7fad78
%package libs
7fad78
Summary:	GROMACS shared libraries
7fad78
7fad78
%description libs
7fad78
GROMACS is a versatile and extremely well optimized package to perform
7fad78
molecular dynamics computer simulations and subsequent trajectory analysis.
5520db
It is developed for bio-molecules like proteins, but the extremely high
7fad78
performance means it is used also in several other field like polymer chemistry
7fad78
and solid state physics.
7fad78
7fad78
This package contains libraries needed for operation of GROMACS.
7fad78
7fad78
1b055a
%package openmpi
1b055a
Summary:	GROMACS Open MPI binaries and libraries
4fd2f7
Requires:	gromacs-common = %{version}-%{release}
Dominik Mierzejewski 3af74f
%if %{with_opencl}
Dominik Mierzejewski a23d19
Recommends:	gromacs-opencl = %{version}-%{release}
dbabc0
%endif
Dominik Mierzejewski af6343
Obsoletes:	gromacs-openmpi-libs < 2016-0.1.20160318gitbec9c87
1b055a
BuildRequires:	openmpi-devel
6e06a8
1b055a
%description openmpi
4fd2f7
GROMACS is a versatile and extremely well optimized package to perform
4fd2f7
molecular dynamics computer simulations and subsequent trajectory analysis.
5520db
It is developed for bio-molecules like proteins, but the extremely high
4fd2f7
performance means it is used also in several other field like polymer chemistry
4fd2f7
and solid state physics.
6e06a8
939be9
mdrun has been compiled with thread parallellization (for running on
939be9
a single node) and with Open MPI (for running on multiple nodes).
939be9
This package single and double precision binaries and libraries.
4fd2f7
4fd2f7
Deji Akingunola 8861b5
%package mpich
Deji Akingunola 8861b5
Summary:	GROMACS MPICH binaries and libraries
e3131b
Requires:	gromacs-common = %{version}-%{release}
Dominik Mierzejewski 3af74f
%if %{with_opencl}
Dominik Mierzejewski a23d19
Recommends:	gromacs-opencl = %{version}-%{release}
dbabc0
%endif
Dominik Mierzejewski af6343
Obsoletes:	gromacs-mpich-libs < 2016-0.1.20160318gitbec9c87
Dominik Mierzejewski af6343
BuildRequires:	mpich-devel
e3131b
Deji Akingunola 8861b5
%description mpich
e3131b
GROMACS is a versatile and extremely well optimized package to perform
e3131b
molecular dynamics computer simulations and subsequent trajectory analysis.
5520db
It is developed for bio-molecules like proteins, but the extremely high
e3131b
performance means it is used also in several other field like polymer chemistry
e3131b
and solid state physics.
e3131b
939be9
mdrun has been compiled with thread parallellization (for running on
Deji Akingunola 8861b5
a single node) and with MPICH (for running on multiple nodes).
939be9
This package single and double precision binaries and libraries.
e3131b
6e06a8
6e06a8
%prep
c245cf
%setup -q %{?SOURCE2:-a 2} -n gromacs-%{version}%{?_rc}
368673
%patch0 -p1
368673
%patch1 -p1
Dominik 'Rathann' Mierzejewski ec7612
install -Dpm644 %{SOURCE1} ./serial/docs/manual/gromacs.pdf
Dominik Mierzejewski 0018e3
# Delete bundled stuff so that it doesn't get used accidentally
c3a5a1
# Don't remove tinyxml2 as gromacs needs an old version to build
c3a5a1
# test, see: https://redmine.gromacs.org/issues/2389
c3a5a1
rm -r src/external/{fftpack,tng_io,lmfit}
Dominik Mierzejewski 0018e3
b71c98
sed -i 's/set(_timeout [0-9]*)/set(_timeout 900)/' src/testutils/TestMacros.cmake
c6e74f
6e06a8
%build
4fd2f7
# Default options, used for all compilations
6b7865
%global defopts \\\
6b7865
 -DBUILD_TESTING:BOOL=ON \\\
6b7865
 -DCMAKE_SKIP_RPATH:BOOL=ON \\\
6b7865
 -DCMAKE_SKIP_BUILD_RPATH:BOOL=ON \\\
c245cf
 -DGMX_BLAS_USER=openblas \\\
6b7865
 -DGMX_BUILD_UNITTESTS:BOOL=ON \\\
Dominik 'Rathann' Mierzejewski ec7612
 -DGMX_EXTERNAL_LMFIT:BOOL=ON \\\
c245cf
 -DGMX_USE_LMFIT=external \\\
Dominik Mierzejewski 0018e3
 -DGMX_EXTERNAL_TNG:BOOL=ON \\\
c3a5a1
 -DGMX_EXTERNAL_TINYXML2:BOOL=OFF \\\
c245cf
 -DGMX_LAPACK_USER=openblas \\\
16acff
 -DGMX_USE_RDTSCP=OFF \\\
6b7865
 -DGMX_SIMD=%{simd} \\\
6b7865
Dominik Mierzejewski 3af74f
%if %{with_opencl}
dbabc0
# OpenCL is available for single precision only
Dominik Mierzejewski 3af74f
%global single -DGMX_GPU:BOOL=ON -DGMX_USE_OPENCL:BOOL=ON
dbabc0
%endif
Dominik Mierzejewski 3af74f
%global double -DGMX_DOUBLE:BOOL=ON
Dominik Mierzejewski af6343
%global mpi -DGMX_BUILD_MDRUN_ONLY:BOOL=ON -DGMX_MPI:BOOL=ON -DGMX_THREAD_MPI:BOOL=OFF -DGMX_DEFAULT_SUFFIX:BOOL=OFF -DBUILD_SHARED_LIBS:BOOL=OFF
1b055a
c4207b
. /etc/profile.d/modules.sh
03eeda
for p in '' _d ; do
c4207b
  for mpi in '' mpich openmpi ; do
c4207b
    test -n "${mpi}" && module load mpi/${mpi}-%{_arch}
c4207b
    mkdir -p ${mpi:-serial}${p}
c4207b
    pushd ${mpi:-serial}${p}
c4207b
    test -z "${mpi}" && cp -al ../regressiontests* tests/ # use with -DREGRESSIONTEST_PATH=${PWD}/tests below
c4207b
    %{cmake3} %{defopts} \
a7141a
      $(test -n "${mpi}" && echo %{mpi} -DGMX_BINARY_SUFFIX=${MPI_SUFFIX}${p} -DGMX_LIBS_SUFFIX=${MPI_SUFFIX}${p} -DCMAKE_INSTALL_BINDIR=${MPI_BIN} || echo -DGMX_X11=ON) \
24af4e
%ifnarch i686 %arm ppc64le # regressiontest are not support on 32-bit archs: http://redmine.gromacs.org/issues/2584#note-35, ppc64le: https://redmine.gromacs.org/issues/2734
bce0d7
      $(test -z "${mpi}" && echo "-DREGRESSIONTEST_PATH=${PWD}/tests") \
6bed28
%endif
c4207b
      $(test -n "$p" && echo %{double} || echo %{?single}) \
c4207b
      ..
c4207b
    %make_build
c4207b
    popd
c4207b
    test -n "${mpi}" && module unload mpi/${mpi}-%{_arch}
c4207b
  done
03eeda
done
03eeda
1b055a
%install
c4207b
. /etc/profile.d/modules.sh
205578
for p in '' _d ; do
c4207b
  for mpi in '' mpich openmpi ; do
c4207b
    test -n "${mpi}" && module load mpi/${mpi}-%{_arch}
c4207b
    %make_install -C ${mpi:-serial}${p}
c4207b
    test -n "${mpi}" && module unload mpi/${mpi}-%{_arch}
c4207b
  done
205578
done
939be9
91cb19
mkdir -p %{buildroot}%{_docdir}/gromacs
91cb19
install -pm 644 AUTHORS COPYING README %{buildroot}%{_docdir}/gromacs
6e06a8
# Install manual & packager's note
Dominik Mierzejewski 3af74f
install -cpm 644 serial/docs/manual/gromacs.pdf %{buildroot}%{_docdir}/gromacs/manual.pdf
368673
install -cpm 644 %{SOURCE3} %{buildroot}%{_docdir}/gromacs/README.fedora
6e06a8
205578
pushd %{buildroot}
5520db
# rm GMXRC, not needed when installed in /usr
5520db
rm ./%{_bindir}/GMXRC*
6e06a8
205578
for bin in demux.pl xplor2gmx.pl; do
c4207b
  mv ./%{_bindir}/$bin ./%{_bindir}/g_${bin}
6e06a8
done
6e06a8
6e06a8
# Move completion files around
5520db
mkdir -p ./%{compdir}
5520db
for bin in gmx{,_d}; do
c4207b
  cat ./%{_bindir}/gmx-completion{,-$bin}.bash > ./%{compdir}/${bin}
c4207b
  rm ./%{_bindir}/gmx-completion-${bin}.bash
5520db
done
c4207b
rm ./%{_bindir}/gmx-completion.bash ./%{_libdir}/*mpi*/bin/gmx-completion-*mpi*.bash
6e06a8
c245cf
%ldconfig_scriptlets libs
5b702d
205578
%check
c4207b
. /etc/profile.d/modules.sh
205578
for p in '' _d ; do
c4207b
  for mpi in '' mpich openmpi ; do
a7141a
    # https://bugzilla.redhat.com/show_bug.cgi?id=1512229 (retested 16. Feb 2018)
a7141a
%ifarch s390x armv7hl
c4207b
    test "${mpi}"  = "openmpi" && continue
03eeda
%endif
c4207b
    test -n "${mpi}" && module load mpi/${mpi}-%{_arch}
c4207b
    test -n "${mpi}" && xLD_LIBRARY_PATH=$LD_LIBRARY_PATH:%{buildroot}${MPI_LIB} || xLD_LIBRARY_PATH=%{buildroot}%{_libdir}
c4207b
    LD_LIBRARY_PATH="${xLD_LIBRARY_PATH}" make -C ${mpi:-serial}${p} VERBOSE=1 %{?_smp_mflags} check
c4207b
    test -n "${mpi}" && module unload mpi/${mpi}-%{_arch}
c4207b
  done
205578
done
6e06a8
6e06a8
%files
205578
%{_bindir}/gmx*
8cb218
%{_bindir}/g_*
6e06a8
6e06a8
%files common
91cb19
%{_docdir}/gromacs
91cb19
%exclude %{_docdir}/gromacs/manual.pdf
5520db
%{compdir}/gmx*
Dominik 'Rathann' Mierzejewski ec7612
%{_mandir}/man1/gmx*.1*
91cb19
%{_datadir}/%{name}
205578
%exclude %{_datadir}/%{name}/template
Dominik Mierzejewski 3af74f
%if %{with_opencl}
dbabc0
%exclude %{_datadir}/%{name}/opencl
dbabc0
dbabc0
%files opencl
Dominik Mierzejewski 3af74f
%doc docs/OpenCLTODOList.txt
dbabc0
%{_datadir}/%{name}/opencl
c96123
%endif
6e06a8
91cb19
%files doc
91cb19
%{_docdir}/gromacs/manual.pdf
91cb19
7fad78
%files libs
205578
%{_libdir}/libgromacs*.so.*
7fad78
6e06a8
%files devel
6e06a8
%{_includedir}/%{name}
205578
%{_libdir}/libgromacs*.so
205578
%{_libdir}/pkgconfig/libgromacs*.pc
205578
%{_datadir}/%{name}/template
d61d4b
%{_datadir}/cmake/gromacs*
6e06a8
1b055a
%files openmpi
d61d4b
%{_libdir}/openmpi/bin/mdrun_openmpi*
4fd2f7
Deji Akingunola 8861b5
%files mpich
d61d4b
%{_libdir}/mpich/bin/mdrun_mpich*
7fad78
6e06a8
%changelog
9ab1c2
* Wed Apr 01 2020 Jitka Plesnikova <jplesnik@redhat.com> - 2019.6-2
9ab1c2
- Specify perl dependencies needed for tests
9ab1c2
069304
* Fri Feb 28 2020 Christoph Junghans <junghans@votca.org> - 2019.6-1
069304
- Version bump to 2019.6
069304
6e9b7a
* Sat Feb 15 2020 Christoph Junghans <junghans@votca.org> - 2019.5-3
6e9b7a
- fix build with gcc10
6e9b7a
26ef5d
* Wed Jan 29 2020 Fedora Release Engineering <releng@fedoraproject.org> - 2019.5-2.1
26ef5d
- Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild
26ef5d
6f5032
* Thu Jan 09 2020 Christoph Junghans <junghans@votca.org> - 2019.5-1.1
6f5032
- Rebuild for koji
6f5032
24af4e
* Mon Dec 23 2019 Christoph Junghans <junghans@votca.org> - 2019.5-1
24af4e
- Version bump to 2019.5 (bug #1786201)
24af4e
4def44
* Wed Oct 02 2019 Christoph Junghans <junghans@votca.org> - 2019.4-1
4def44
- Version bump to 2019.4 (bug #1757694)
b8cc88
- drop cmake-3.11.4.patch to merged upstream
4def44
3e7986
* Sun Aug 25 2019 Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 2019.3-1.2
3e7986
- Rebuilt for hwloc-2.0
3e7986
2c6d39
* Thu Jul 25 2019 Fedora Release Engineering <releng@fedoraproject.org> - 2019.3-1.1
2c6d39
- Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild
2c6d39
58be93
* Fri Jun 14 2019 Christoph Junghans <junghans@votca.org> - 2019.3-1
58be93
- Version bump to 2019.3 (bug #1720697)
58be93
6bed28
* Tue Apr 16 2019 Christoph Junghans <junghans@votca.org> - 2019.2-1
6bed28
- Version bump to 2019.2 (bug #1677678)
6bed28
a7141a
* Sat Feb 16 2019 Christoph Junghans <junghans@votca.org> - 2019.1-1
a7141a
- Version bump to 2019.1 (bug #1677678)
a7141a
af6338
* Thu Feb 14 2019 Orion Poplawski <orion@nwra.com> - 2018.5-2
af6338
- Rebuild for openmpi 3.1.3
af6338
c6e74f
* Fri Feb 01 2019 Christoph Junghans <junghans@votca.org> - 2018.5-1
c6e74f
- Version bump to 2018.5
c6e74f
2ebfac
* Fri Feb 01 2019 Fedora Release Engineering <releng@fedoraproject.org> - 2018.4-1.1
2ebfac
- Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild
2ebfac
0320e1
* Mon Nov 12 2018 Christoph Junghans <junghans@votca.org> - 2018.4-1
0320e1
- Version bump to 2018.4
17c39b
- Re-added gromacs-issue-2366.patch for f28 and lower
0320e1
1fa24b
* Thu Nov 8 2018 Christoph Junghans <junghans@votca.org> - 2018.3-2
1fa24b
- Enable OpenCL for some archs on epel7
17e843
- Drop gromacs-issue-2366.patch (bug #1558206) - seems to be fixed
1fa24b
c4207b
* Fri Nov 2 2018 Christoph Junghans <junghans@votca.org> - 2018.3-1
c4207b
- Version bump to 2018.3
c4207b
- Major spec files clean up
c4207b
c245cf
* Wed Jul 18 2018 Christoph Junghans <junghans@votca.org> - 2018.2-1
c245cf
- Version bump to 2018.2 (bug #1591052)
c245cf
- Add support for lmfit-7 (patch will be part of v2019)
c245cf
- Switch to OpenBlas (bug #1602822)
c245cf
- Disable brittle regressiontests
c245cf
3df7ab
* Fri Jul 13 2018 Fedora Release Engineering <releng@fedoraproject.org> - 2018.1-1.1
3df7ab
- Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild
3df7ab
d770ba
* Tue Mar 27 2018 Christoph Junghans <junghans@votca.org> - 2018.1-1
5c5e37
- Bump to version 2018.1 (bug #1559202)
5c5e37
c3a5a1
* Sat Feb 24 2018 Christoph Junghans <junghans@votca.org> - 2018-1.2
c3a5a1
- add gcc-c++ as BuildRequires
c3a5a1
- use bundled tinyml2 to build tests, system one is too new
c3a5a1
66792a
* Wed Feb 07 2018 Fedora Release Engineering <releng@fedoraproject.org> - 2018-1.1
66792a
- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild
66792a
4472f9
* Fri Jan 19 2018 Christoph Junghans <junghans@votca.org> - 2018-1
4472f9
- Update to 2018
4472f9
- Drop 43a0002.diff, merged upstream
4472f9
697807
* Sat Dec 30 2017 Christoph Junghans <junghans@votca.org> - 2018-0.2rc1
697807
- Update to 2018-rc1 for testing
697807
- Update b7713bf.diff to 43a0002.diff
697807
01913d
* Mon Dec 25 2017 Christoph Junghans <junghans@votca.org> - 2018-0.1beta3
01913d
- Update to 2018-beta3 for testing
01913d
- Disable HardwareTopologyTest.NumaCacheSelfconsistency test on aarch64
01913d
- Run regressiontests for serial build (don't work for mpi build)
01913d
- Clean up
01913d
  - Drop execstack as everything is intristic now
01913d
  - No la .files anymore, so drop find -delete
01913d
  - OpenMPI was ported to s390, so enable it everywhere
01913d
1123e2
* Fri Sep 15 2017 Christoph Junghans <junghans@votca.org> - 2016.4-1
1123e2
- Update to 2016.4
1123e2
a76b66
* Wed Aug 02 2017 Fedora Release Engineering <releng@fedoraproject.org> - 2016.3-3
a76b66
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild
a76b66
8b3777
* Wed Jul 26 2017 Fedora Release Engineering <releng@fedoraproject.org> - 2016.3-2
8b3777
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild
8b3777
e29e52
* Tue Mar 14 2017 Christoph Junghans <junghans@votca.org> - 2016.3-1
e29e52
- Update to 2016.3
e29e52
c0c327
* Tue Feb 07 2017 Christoph Junghans <junghans@votca.org> - 2016.2-1
c0c327
- Update to 2016.2
c0c327
- Drop boost dependency, not uses anymore
c0c327
- Drop gromacs-tng.patch, made it upstream
c0c327
05cb24
* Fri Jan 27 2017 Jonathan Wakely <jwakely@redhat.com> - 2016.1-3
05cb24
- Rebuilt for Boost 1.63
05cb24
16acff
* Fri Dec 23 2016 Christoph Junghans <junghans@votca.org> - 2016.1-2
1af3cb
- fixed wording description
1af3cb
- drop dangerous GMXRC* - not needed when installed in /usr
1af3cb
  would prepent /usr/lib in LD_LIBRARY_PATH
1af3cb
 -drop otherwise empty zsh/csh package as actual completion is done in 2016
1af3cb
  nothing left in package after removing GMXRC.*
16acff
- fix location of bash-completion
1af3cb
- added GMX_USE_RDTSCP=OFF for docker, which has not support of rdtscp yet
5520db
aeb0eb
* Thu Nov 03 2016 Christoph Junghans <junghans@votca.org> - 2016.1-1
aeb0eb
- Update to 2016.1
aeb0eb
- Drop gromacs-use-system-lmfit.patch, made it upstream
aeb0eb
- Update gromacs-tng.patch, https://gerrit.gromacs.org/#/c/6319/
aeb0eb
Orion Poplawski d68e7f
* Fri Oct 21 2016 Orion Poplawski <orion@cora.nwra.com>
Orion Poplawski d68e7f
- Rebuild for openmpi 2.0
Orion Poplawski d68e7f
Dominik 'Rathann' Mierzejewski ec7612
* Tue Aug 23 2016 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 2016-1
Dominik 'Rathann' Mierzejewski ec7612
- update to 2016 release
Dominik 'Rathann' Mierzejewski ec7612
- drop upstreamed patches
Dominik 'Rathann' Mierzejewski ec7612
- fix build with system lmfit
Dominik 'Rathann' Mierzejewski ec7612
- fix build with bundled tng removed
Dominik 'Rathann' Mierzejewski ec7612
- drop pocl from BuildRequires, it's not required to build
Dominik 'Rathann' Mierzejewski ec7612
- enable OpenCL on all arches (except ppc64le, where it's still failing)
Dominik 'Rathann' Mierzejewski ec7612
Dominik 'Rathann' Mierzejewski a2ef00
* Sat May 21 2016 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 2016-0.5.20160510gitd44d7d6
Dominik 'Rathann' Mierzejewski a2ef00
- unbundle tinyxml2
Dominik 'Rathann' Mierzejewski a2ef00
Dominik Mierzejewski d2e9bc
* Sun Apr 10 2016 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 2016-0.4.20160510gitd44d7d6
Dominik Mierzejewski d2e9bc
- update from git master
Dominik Mierzejewski d2e9bc
- enable OpenCL on armv7hl and BR: pocl >= 0.13-4 (#1324438)
Dominik Mierzejewski d2e9bc
- drop libxml2 BR (upstream switched to bundled tinyxml2-3.0.0)
Dominik Mierzejewski d2e9bc
- add missing arches in arch-dependent sections
Dominik Mierzejewski d2e9bc
Dominik Mierzejewski efaa10
* Wed Apr 06 2016 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 2016-0.3.20160403gitd6e35c9
Dominik Mierzejewski efaa10
- re-enable OpenCL (pocl was fixed recently)
Dominik Mierzejewski efaa10
Dominik 'Rathann' Mierzejewski 5a98a0
* Mon Apr 04 2016 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 2016-0.2.20160403gitd6e35c9
Dominik 'Rathann' Mierzejewski 5a98a0
- update to git master branch
Dominik 'Rathann' Mierzejewski 5a98a0
- drop obsolete patches
Dominik 'Rathann' Mierzejewski 9c7498
- enable NEON instructions on armv7hnl arch
Dominik 'Rathann' Mierzejewski de9a1b
- drop condition around execstack usage, it's available everywhere now
Dominik 'Rathann' Mierzejewski 5a98a0
Dominik Mierzejewski 3af74f
* Fri Mar 18 2016 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 2016-0.1.20160318gitbec9c87
Dominik Mierzejewski 3af74f
- update to git master branch
Dominik Mierzejewski 3af74f
- disable OpenCL for now (due to pocl FTBFS #1307869)
Dominik Mierzejewski 3af74f
- use BOOL with all boolean cmake options
Dominik Mierzejewski 598c20
- enable hwloc support
Dominik Mierzejewski a23d19
- don't install OpenCL kernels by default (but recommend them)
Dominik Mierzejewski 0018e3
- unbundle lmfit (F24+), tng
Dominik Mierzejewski af6343
- don't build shared libs for MPI builds
Dominik Mierzejewski af6343
- drop -libs and -devel MPI subpackages
Dominik 'Rathann' Mierzejewski 8cb411
- disable failing tests on arm and i686
Dominik Mierzejewski 3af74f
d198f4
* Wed Feb 03 2016 Fedora Release Engineering <releng@fedoraproject.org> - 5.1.1-2
d198f4
- Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild
d198f4
Dominik Mierzejewski d867a5
* Tue Nov 17 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.1.1-1
Dominik Mierzejewski d867a5
- update to 5.1.1
Dominik Mierzejewski d867a5
6d8eab
* Wed Sep 23 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.1-6
6d8eab
- don't remove -DNDEBUG from CFLAGS (makes HandlesPermuteModifier test fail
6d8eab
  randomly)
6b7865
- convert shell variables to rpm macros
dbabc0
- enable OpenCL support (x86 and single precision only)
6d8eab
8b571f
* Tue Sep 22 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.1-5
8b571f
- disable HandlesPermuteModifier test which fails randomly on i686
8b571f
Orion Poplawski 73cffe
* Tue Sep 15 2015 Orion Poplawski <orion@cora.nwra.com> - 5.1-4
Orion Poplawski 73cffe
- Rebuild for openmpi 1.10.0
Orion Poplawski 73cffe
f06543
* Thu Aug 27 2015 Jonathan Wakely <jwakely@redhat.com> - 5.1-3
f06543
- Rebuilt for Boost 1.59
f06543
a24704
* Wed Aug 19 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.1-2
a24704
- enable NEON SIMD on aarch64
a24704
- fix compilation of VSX code with double precision on ppc64le
a24704
- enable VSX on ppc64le only
a24704
- don't manually output testuite logs upon failure, ctest does that already
a24704
d61d4b
* Sat Aug 15 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.1-1
d61d4b
- update to 5.1
d61d4b
- drop ancient Obsoletes:/Provides:
d61d4b
- drop Group: tags
d61d4b
- build mdrun-only MPI binaries again
03eeda
- simplify SIMD enablement handling
03eeda
- enable SIMD on ppc64(le)
03eeda
- no execstack on ppc64 or s390(x), either
03eeda
- output testsuite logs upon failure
d61d4b
540364
* Sat Aug 15 2015 Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 5.0.6-6
540364
- Rebuild for MPI provides
540364
27be05
* Mon Aug 10 2015 Sandro Mani <manisandro@gmail.com> - 5.0.6-5
27be05
- Rebuild for RPM MPI Requires Provides Change
27be05
Dominik Mierzejewski 17bdcc
* Thu Aug 06 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.0.6-4
Dominik Mierzejewski e8db2c
- fix up dependencies between subpackages
Dominik Mierzejewski e8db2c
473757
* Thu Aug 06 2015 Jonathan Wakely <jwakely@redhat.com> 5.0.6-3
473757
- Rebuilt for Boost 1.58
473757
06d98d
* Wed Jul 29 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 5.0.6-2
06d98d
- Rebuilt for https://fedoraproject.org/wiki/Changes/F23Boost159
06d98d
b8431f
* Sun Jul 26 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.0.6-1
b8431f
- update to 5.0.6
b8431f
fafded
* Wed Jul 22 2015 David Tardon <dtardon@redhat.com> - 5.0.5-4
fafded
- rebuild for Boost 1.58
fafded
6cfd9d
* Wed Jun 17 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 5.0.5-3
6cfd9d
- Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild
6cfd9d
2556ee
* Mon Jun 15 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.0.5-2
2556ee
- obsolete old -common subpackage in -doc so that users don't lose the manual
2556ee
91cb19
* Sat Jun 13 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.0.5-1
91cb19
- update to 5.0.5
91cb19
- fix path to packaged dssp
91cb19
- drop upstreamed patch
91cb19
- move the large manual into a separate -doc subpackage
91cb19
205578
* Tue Apr 14 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.0.4-1
205578
- update to 5.0.4
205578
- switch Motif library to original Motif (as it's in Fedora since long)
205578
- link against new-style atlas library (atlas 3.10.1+)
205578
- BR: boost-devel
205578
- csh/zsh completion removed upstream
205578
- move bash completion into main package
205578
- separate ngmx and mdrun dropped upstream
205578
- enable testsuite
205578
- factorize a lot of build logic
205578
- drop redundant comments
1803b1
- skip double precision tests on i686 (http://redmine.gromacs.org/issues/1716)
205578
37f36b
* Mon Apr 13 2015 Dominik Mierzejewski <rpm@greysector.net> - 4.6.5-6
37f36b
- rebuilt for changed mpich libraries
37f36b
9606a7
* Sat Aug 16 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 4.6.5-5
9606a7
- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild
9606a7
c0d315
* Fri Jun 13 2014 Peter Robinson <pbrobinson@fedoraproject.org> 4.6.5-4
c0d315
- Fix builds on aarch64/ppc64le
c0d315
- Modernise spec
c0d315
- Remove ancient obsoletes
c0d315
7ef873
* Sat Jun 07 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 4.6.5-3
7ef873
- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild
7ef873
Deji Akingunola 80ae99
* Sat Feb 22 2014 Deji Akingunola <dakingun@gmail.com> - 4.6.5-2
Deji Akingunola 80ae99
- Rebuild for mpich-3.1
Deji Akingunola 80ae99
5e860d
* Tue Dec 03 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.6.5-1
5e860d
- Update to 4.6.5.
5e860d
1c5746
* Thu Nov 14 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.6.4-1
1c5746
- Update to 4.6.4.
1c5746
8baab5
* Sat Aug 03 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 4.6.3-3
8baab5
- Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild
8baab5
Deji Akingunola 8861b5
* Sat Jul 20 2013 Deji Akingunola <dakingun@gmail.com> - 4.6.3-2
Deji Akingunola 8861b5
- Rename mpich2 sub-packages to mpich and rebuild for mpich-3.0
Deji Akingunola 8861b5
af7559
* Sat Jul 06 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.6.3-1
af7559
- Update to 4.6.3.
af7559
0aefb5
* Tue Jun 04 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.6.2-1
0aefb5
- Update to 4.6.2.
0aefb5
dca273
* Wed Mar 06 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.6.1-1
dca273
- Update to 4.6.1.
dca273
7743c4
* Thu Feb 14 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 4.6-2
7743c4
- Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild
7743c4
b37700
* Mon Jan 21 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.6-1
b37700
- Update to stable 4.6 release.
b37700
b0ba4b
* Mon Dec 31 2012 Dan Horák <dan[at]danny.cz> - 4.6-0.2.beta3
b0ba4b
- fix build on non-x86 arches
b0ba4b
e48395
* Mon Dec 24 2012 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.6-0.1.beta3
e48395
- Update to 4.6 beta 3.
e48395
45fd3f
* Fri Nov 02 2012 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.5-3.1
45fd3f
- Bump due to MPICH2 update.
45fd3f
e3c9de
* Thu Jul 19 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 4.5.5-3
e3c9de
- Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild
e3c9de
67267c
* Fri Jan 13 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 4.5.5-2
67267c
- Rebuilt for https://fedoraproject.org/wiki/Fedora_17_Mass_Rebuild
67267c
a0c3b5
* Tue Sep 20 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.5-1
a0c3b5
- Update to 4.5.5.
a0c3b5
Deji Akingunola 45d8b0
* Wed Mar 30 2011 Deji Akingunola <dakingun@gmail.com> - 4.5.4-2
Deji Akingunola 45d8b0
- Rebuild for mpich2 soname bump
Deji Akingunola 45d8b0
e1479e
* Wed Mar 23 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.4-1
e1479e
- Update to 4.5.4.
e1479e
5b702d
* Sun Feb 13 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.3-4
5b702d
- Get rid of executable stacks.
afadb8
dd1e26
* Mon Feb 07 2011 Dan Horák <dan[at]danny.cz> - 4.5.3-3
dd1e26
- conditionalize OpenMPI support
dd1e26
- fix build on 64-bit platforms
dd1e26
9c3bc4
* Mon Dec 20 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.3-2
9c3bc4
- Fix rest of BZ #649338.
9c3bc4
fead7d
* Thu Nov 18 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.3-1
fead7d
- Update to 4.5.3.
fead7d
f35182
* Fri Nov 05 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.2-3
f35182
- Rebuild due to libxml2 soname bump.
f35182
b830fd
* Wed Nov 03 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.2-2
b830fd
- Make gromacs package obsolete older versions of gromacs package due to the
b830fd
  branching of libraries.
b830fd
3de319
* Mon Nov 01 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.2-1
3de319
- Update to 4.5.2.
3de319
7fad78
* Wed Oct 27 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.1-2
7fad78
- Patch around #644950.
7fad78
- Split libraries in own packages to avoid multilib problems.
7fad78
939be9
* Sat Oct 09 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.1-1
939be9
- Update to 4.5.1.
939be9
3c91c4
* Sun Dec 06 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.0.7-1
3c91c4
- Update to 4.0.7.
3c91c4
cc7c0b
* Sun Dec 06 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.0.6-1
cc7c0b
- Update to 4.0.6.
cc7c0b
8cb218
* Fri Dec 04 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.0.5-6
8cb218
- Fix file conflict.
8cb218
031fca
* Tue Dec 01 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.0.5-5
031fca
- Put correct MPI devel package requires in place.
031fca
c315d5
* Tue Dec 01 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.0.5-4
c315d5
- Fix obsoletes.
c315d5
1b055a
* Mon Nov 30 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.0.5-3
1b055a
- Combine libs with binaries and drop debug packages to avoid explosion of
1b055a
  number of packages.
e3131b
- Adopt use of MPI guidelines.
1b055a
0b7b88
* Fri Jul 24 2009 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 4.0.5-2
0b7b88
- Rebuilt for https://fedoraproject.org/wiki/Fedora_12_Mass_Rebuild
0b7b88
4fd2f7
* Fri May 22 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.5-1
4fd2f7
- Update to 4.0.5.
4fd2f7
- Change spec %%defines to %%globals.
4fd2f7
- Add debug subpackages to make debugging of GROMACS possible.
35dce5
ed60a6
* Tue Feb 17 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.4-1
ed60a6
- Update to 4.0.4.
ed60a6
0ff216
* Mon Jan 19 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.3-4
0ff216
- Retry fixing gmxdemo.
0ff216
2d0f49
* Mon Jan 19 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.3-3
2d0f49
- Fixed gmxdemo.
2d0f49
26363c
* Mon Jan 19 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.3-2
26363c
- Fix EPEL 4 build.
26363c
7b3f14
* Mon Jan 19 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.3-1
7b3f14
- Update to 4.0.3.
7b3f14
ad6f15
* Wed Jan 14 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.2-7
ad6f15
- Update manual to latest version.
ad6f15
- Removed Requires: blas and lapack.
ad6f15
ad6f15
* Mon Nov 10 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.2-6
bb4bd8
- Update to 4.0.2.
bb4bd8
ad6f15
* Sun Nov 09 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.1-5
3f6f44
- Add Requires: blas too.
3f6f44
ad6f15
* Sun Nov 09 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.1-4
a90b74
- Update to 4.0.1.
a90b74
- Add Requires: lapack and openmpi to prevent yum from pulling atlas and lam
a90b74
instead.
a90b74
ad6f15
* Wed Oct 15 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-3
6e06a8
- Rename also man pages.
6e06a8
ad6f15
* Mon Oct 13 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-2
6e06a8
- Added noreplace to bash completion file.
6e06a8
- Changed double precision mpi binary suffix to _mpi_d.
6e06a8
ad6f15
* Sun Oct 12 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-1
6e06a8
- Update to Gromacs 4.0.
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- Remove module system and patch file names to begin with g_.
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* Wed Oct 08 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.15.rc3
6e06a8
- Changed location of binaries.
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- Removed conflict of module file, as the program is binary compatible with older versions.
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* Wed Oct 08 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.14.rc3
6e06a8
- The gromacs module is loaded automatically and it conflicts with gromacs3.
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* Tue Oct 07 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.13.rc3
6e06a8
- Renamed module files from %%{name}-%%{version} to %%{name}.
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* Mon Oct 06 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.12.rc3
6e06a8
- Fix BR to get GROMACS to build in mock for epel-4.
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* Sat Oct 04 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.11.rc3
6e06a8
- Fix to get GROMACS to build in mock for epel-5.
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* Sat Oct 04 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.10.rc3
6e06a8
- Implement module system & remove binary renaming.
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- No need for autoreconf anymore.
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- Update to rc3.
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* Sat Oct 04 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.9.rc2
6e06a8
- Fall back to autoreconf due to binary renaming.
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* Fri Oct 03 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.8.rc2
6e06a8
- Modified install commands to preserve timestamps.
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* Fri Oct 03 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.7.rc2
6e06a8
- Even more review fixes.
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- Binaries renamed:
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	highway	->	g_highway
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	luck	->	g_luck
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	sigeps	->	g_sigeps
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	wheel	->	g_wheel
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* Thu Oct 02 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.6.rc2
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- Final review fixes.
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* Wed Oct 01 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.5.rc2
6e06a8
- Strip down requires by branching tutor to its own package.
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* Tue Sep 30 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.4.rc2
6e06a8
- Extensive package review fixes.
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- Unclear licenses on some files, filed upstream bug 217.
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  http://bugzilla.gromacs.org/show_bug.cgi?id=217
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* Mon Sep 29 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.3.rc2
6e06a8
- Move .so files to -devel package.
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- Remove .la files.
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* Mon Sep 29 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.2.rc2
6e06a8
- Implement out-of-tree-builds.
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- Add --noexecstack to CFLAGS.
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- Remove execstack procedure and prelink from buildreqs.
6e06a8
- Filed upstream bug 215 to add .note.GNU-stack .
6e06a8
- Fix incorrect file permission on src/tools/gmx_xpm2ps.c .
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* Mon Sep 29 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.1.rc2
6e06a8
- Alphabetized buildrequires.
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- Changed gromacs-share to gromacs-common.
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* Fri Sep 26 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.0.rc2
6e06a8
- Initial build.