4472f9b
#global _rcname rc1
4472f9b
#global _rc -%%_rcname
bc88d5a
Dominik Mierzejewski 3af74f4
%global with_opencl 1
a7141af
# compilation of OpenCL support is failing only on ppc64le (retested 15 Feb 2019)
a7141af
# only 64-bit archs: https://redmine.gromacs.org/issues/2821
a7141af
%ifarch i686 %arm ppc64le
Dominik Mierzejewski 3af74f4
%global with_opencl 0
Dominik Mierzejewski 3af74f4
%endif
03eeda2
03eeda2
%global simd None
03eeda2
%ifarch x86_64
03eeda2
%global simd SSE2
03eeda2
%endif
c4207b2
%if 0%{?fedora} >= 29
c4207b2
%ifarch i686
c4207b2
%global simd SSE2
c4207b2
%endif
c4207b2
%endif
Dominik Mierzejewski d2e9bc9
%ifarch ppc64p7
Dominik Mierzejewski d2e9bc9
%global simd IBM_VMX
a247040
%endif
a7141af
%ifarch ppc64le
a7141af
%global simd IBM_VSX
a7141af
%endif
Dominik 'Rathann' Mierzejewski 9c74985
%ifarch armv7hnl
Dominik 'Rathann' Mierzejewski 9c74985
%global simd ARM_NEON
a247040
%endif
1fa24ba
# ARM_NEON_ASIMD doesn't work on rhel, tested 7.Nov.2018
1fa24ba
%if 0%{?fedora}
a247040
%ifarch aarch64
a247040
%global simd ARM_NEON_ASIMD
a247040
%endif
bc88d5a
%endif
dd1e266
6e06a80
Name:		gromacs
4def446
Version:	2019.4
4def446
Release:	1%{?dist}
4fd2f7f
Summary:	Fast, Free and Flexible Molecular Dynamics
6e06a80
License:	GPLv2+
6e06a80
URL:		http://www.gromacs.org
c0d315d
01913de
Source0:	ftp://ftp.gromacs.org/pub/gromacs/gromacs-%{version}%{?_rc}.tar.gz
01913de
Source1:	ftp://ftp.gromacs.org/pub/manual/manual-%{version}%{?_rc}.pdf
c245cf4
# Too britle sind 2018.2
c4207b2
Source2:	http://gerrit.gromacs.org/download/regressiontests-%{version}%{?_rc}.tar.gz
3686730
Source3:	gromacs-README.fedora
91cb199
# fix path to packaged dssp
91cb199
# https://bugzilla.redhat.com/show_bug.cgi?id=1203754
91cb199
Patch0:		gromacs-dssp-path.patch
17c39be
# enable some test on aarch64 - https://redmine.gromacs.org/issues/2366
17c39be
# bug#1558206
a7141af
Patch1:		gromacs-issue-2366.patch
c3a5a13
BuildRequires:	gcc-c++
c245cf4
BuildRequires:  cmake3 >= 3.4.3
c245cf4
BuildRequires:	openblas-devel
6e06a80
BuildRequires:	fftw-devel
6e06a80
BuildRequires:	gsl-devel
Dominik 'Rathann' Mierzejewski ec7612c
BuildRequires:	hwloc
Dominik Mierzejewski 598c20b
BuildRequires:	hwloc-devel
6e06a80
BuildRequires:	libX11-devel
Dominik Mierzejewski 0018e38
BuildRequires:	lmfit-devel >= 6.0
Dominik Mierzejewski 3af74f4
%if %{with_opencl}
dbabc09
BuildRequires:	ocl-icd-devel
dbabc09
BuildRequires:	opencl-headers
1fa24ba
%if 0%{?fedora}
Dominik Mierzejewski a23d19b
Recommends:	gromacs-opencl = %{version}-%{release}
dbabc09
%endif
1fa24ba
%endif
Dominik Mierzejewski 0018e38
BuildRequires:	tng-devel
5520db9
BuildRequires:	bash-completion
5520db9
%define compdir %(pkg-config --variable=completionsdir bash-completion)
5520db9
%if "%{compdir}" == ""
5520db9
%define compdir "/etc/bash_completion.d"
5520db9
%endif
1b055a1
Requires:	gromacs-common = %{version}-%{release}
Dominik Mierzejewski e8db2c9
Requires:	gromacs-libs = %{version}-%{release}
2055781
Obsoletes:	gromacs-ngmx < 5.0.4-1
5520db9
Obsoletes:	gromacs-csh < 2016.1-2
5520db9
Obsoletes:	gromacs-zsh < 2016.1-2
b830fd1
6e06a80
%description
4fd2f7f
GROMACS is a versatile and extremely well optimized package to perform
4fd2f7f
molecular dynamics computer simulations and subsequent trajectory analysis.
5520db9
It is developed for bio-molecules like proteins, but the extremely high
4fd2f7f
performance means it is used also in several other field like polymer chemistry
4fd2f7f
and solid state physics.
6e06a80
6e06a80
This package provides single and double precision binaries.
6e06a80
The documentation is in the package gromacs-common.
6e06a80
939be9d
mdrun has been compiled with thread parallellization, so it runs in parallel
939be9d
on shared memory systems. If you want to run on a cluster, you probably want
939be9d
to install one of the MPI parallellized packages.
939be9d
4fd2f7f
N.B. All binaries have names starting with g_, for example mdrun has been
4fd2f7f
renamed to g_mdrun.
4fd2f7f
4fd2f7f
6e06a80
%package common
6e06a80
Summary:	GROMACS shared data and documentation
1b055a1
BuildArch:	noarch
2055781
Provides:	gromacs-bash = %{version}-%{release}
2055781
Obsoletes:	gromacs-bash < 5.0.4-1
6e06a80
6e06a80
%description common
4fd2f7f
GROMACS is a versatile and extremely well optimized package to perform
4fd2f7f
molecular dynamics computer simulations and subsequent trajectory analysis.
5520db9
It is developed for bio-molecules like proteins, but the extremely high
4fd2f7f
performance means it is used also in several other field like polymer chemistry
4fd2f7f
and solid state physics.
6e06a80
91cb199
This package includes architecture independent data and HTML documentation.
91cb199
91cb199
bc88d5a
%if %{with_opencl}
dbabc09
%package opencl
dbabc09
Summary:	GROMACS OpenCL kernels
dbabc09
# suggest installing a GPU-based OpenCL implementation
1fa24ba
%if 0%{?fedora}
dbabc09
Suggests:	beignet
dbabc09
Suggests:	mesa-libOpenCL
dbabc09
# or at least a CPU-based one
dbabc09
Suggests:	pocl
1fa24ba
%endif
dbabc09
dbabc09
%description opencl
dbabc09
GROMACS is a versatile and extremely well optimized package to perform
dbabc09
molecular dynamics computer simulations and subsequent trajectory analysis.
5520db9
It is developed for bio-molecules like proteins, but the extremely high
dbabc09
performance means it is used also in several other field like polymer chemistry
dbabc09
and solid state physics.
dbabc09
dbabc09
This package includes the OpenCL kernels.
bc88d5a
%endif
dbabc09
dbabc09
91cb199
%package doc
91cb199
Summary:	GROMACS manual
91cb199
BuildArch:	noarch
2556eed
Obsoletes: gromacs-common < 5.0.5-2
91cb199
91cb199
%description doc
91cb199
GROMACS is a versatile and extremely well optimized package to perform
91cb199
molecular dynamics computer simulations and subsequent trajectory analysis.
5520db9
It is developed for bio-molecules like proteins, but the extremely high
91cb199
performance means it is used also in several other field like polymer chemistry
91cb199
and solid state physics.
91cb199
91cb199
This package the manual in PDF format.
6e06a80
6e06a80
6e06a80
%package devel
6e06a80
Summary:	GROMACS header files and development libraries
Dominik Mierzejewski e8db2c9
Requires:	gromacs-libs = %{version}-%{release}
Dominik Mierzejewski af63436
Obsoletes:	gromacs-mpich-devel < 2016-0.1.20160318gitbec9c87
Dominik Mierzejewski af63436
Obsoletes:	gromacs-openmpi-devel < 2016-0.1.20160318gitbec9c87
6e06a80
6e06a80
%description devel
4fd2f7f
GROMACS is a versatile and extremely well optimized package to perform
4fd2f7f
molecular dynamics computer simulations and subsequent trajectory analysis.
5520db9
It is developed for bio-molecules like proteins, but the extremely high
4fd2f7f
performance means it is used also in several other field like polymer chemistry
4fd2f7f
and solid state physics.
4fd2f7f
4fd2f7f
This package contains header files and development libraries for the GROMACS
4fd2f7f
molecular dynamics software. You need it if you want to write your own analysis
4fd2f7f
programs.
4fd2f7f
4fd2f7f
7fad780
%package libs
7fad780
Summary:	GROMACS shared libraries
7fad780
7fad780
%description libs
7fad780
GROMACS is a versatile and extremely well optimized package to perform
7fad780
molecular dynamics computer simulations and subsequent trajectory analysis.
5520db9
It is developed for bio-molecules like proteins, but the extremely high
7fad780
performance means it is used also in several other field like polymer chemistry
7fad780
and solid state physics.
7fad780
7fad780
This package contains libraries needed for operation of GROMACS.
7fad780
7fad780
1b055a1
%package openmpi
1b055a1
Summary:	GROMACS Open MPI binaries and libraries
4fd2f7f
Requires:	gromacs-common = %{version}-%{release}
Dominik Mierzejewski 3af74f4
%if %{with_opencl}
1fa24ba
%if 0%{?fedora}
Dominik Mierzejewski a23d19b
Recommends:	gromacs-opencl = %{version}-%{release}
dbabc09
%endif
1fa24ba
%endif
Dominik Mierzejewski af63436
Obsoletes:	gromacs-openmpi-libs < 2016-0.1.20160318gitbec9c87
1b055a1
BuildRequires:	openmpi-devel
6e06a80
1b055a1
%description openmpi
4fd2f7f
GROMACS is a versatile and extremely well optimized package to perform
4fd2f7f
molecular dynamics computer simulations and subsequent trajectory analysis.
5520db9
It is developed for bio-molecules like proteins, but the extremely high
4fd2f7f
performance means it is used also in several other field like polymer chemistry
4fd2f7f
and solid state physics.
6e06a80
939be9d
mdrun has been compiled with thread parallellization (for running on
939be9d
a single node) and with Open MPI (for running on multiple nodes).
939be9d
This package single and double precision binaries and libraries.
4fd2f7f
4fd2f7f
Deji Akingunola 8861b54
%package mpich
Deji Akingunola 8861b54
Summary:	GROMACS MPICH binaries and libraries
e3131b9
Requires:	gromacs-common = %{version}-%{release}
Dominik Mierzejewski 3af74f4
%if %{with_opencl}
1fa24ba
%if 0%{?fedora}
Dominik Mierzejewski a23d19b
Recommends:	gromacs-opencl = %{version}-%{release}
dbabc09
%endif
1fa24ba
%endif
Dominik Mierzejewski af63436
Obsoletes:	gromacs-mpich-libs < 2016-0.1.20160318gitbec9c87
Dominik Mierzejewski af63436
BuildRequires:	mpich-devel
e3131b9
Deji Akingunola 8861b54
%description mpich
e3131b9
GROMACS is a versatile and extremely well optimized package to perform
e3131b9
molecular dynamics computer simulations and subsequent trajectory analysis.
5520db9
It is developed for bio-molecules like proteins, but the extremely high
e3131b9
performance means it is used also in several other field like polymer chemistry
e3131b9
and solid state physics.
e3131b9
939be9d
mdrun has been compiled with thread parallellization (for running on
Deji Akingunola 8861b54
a single node) and with MPICH (for running on multiple nodes).
939be9d
This package single and double precision binaries and libraries.
e3131b9
6e06a80
6e06a80
%prep
c245cf4
%setup -q %{?SOURCE2:-a 2} -n gromacs-%{version}%{?_rc}
3686730
%patch0 -p1
3686730
%patch1 -p1
Dominik 'Rathann' Mierzejewski ec7612c
install -Dpm644 %{SOURCE1} ./serial/docs/manual/gromacs.pdf
Dominik Mierzejewski 0018e38
# Delete bundled stuff so that it doesn't get used accidentally
c3a5a13
# Don't remove tinyxml2 as gromacs needs an old version to build
c3a5a13
# test, see: https://redmine.gromacs.org/issues/2389
c3a5a13
rm -r src/external/{fftpack,tng_io,lmfit}
Dominik Mierzejewski 0018e38
b71c98a
sed -i 's/set(_timeout [0-9]*)/set(_timeout 900)/' src/testutils/TestMacros.cmake
c6e74ff
6e06a80
%build
4fd2f7f
# Default options, used for all compilations
6b78659
%global defopts \\\
6b78659
 -DBUILD_TESTING:BOOL=ON \\\
6b78659
 -DCMAKE_SKIP_RPATH:BOOL=ON \\\
6b78659
 -DCMAKE_SKIP_BUILD_RPATH:BOOL=ON \\\
c245cf4
 -DGMX_BLAS_USER=openblas \\\
6b78659
 -DGMX_BUILD_UNITTESTS:BOOL=ON \\\
Dominik 'Rathann' Mierzejewski ec7612c
 -DGMX_EXTERNAL_LMFIT:BOOL=ON \\\
c245cf4
 -DGMX_USE_LMFIT=external \\\
Dominik Mierzejewski 0018e38
 -DGMX_EXTERNAL_TNG:BOOL=ON \\\
c3a5a13
 -DGMX_EXTERNAL_TINYXML2:BOOL=OFF \\\
c245cf4
 -DGMX_LAPACK_USER=openblas \\\
16acffe
 -DGMX_USE_RDTSCP=OFF \\\
6b78659
 -DGMX_SIMD=%{simd} \\\
6b78659
Dominik Mierzejewski 3af74f4
%if %{with_opencl}
dbabc09
# OpenCL is available for single precision only
Dominik Mierzejewski 3af74f4
%global single -DGMX_GPU:BOOL=ON -DGMX_USE_OPENCL:BOOL=ON
dbabc09
%endif
Dominik Mierzejewski 3af74f4
%global double -DGMX_DOUBLE:BOOL=ON
Dominik Mierzejewski af63436
%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
1b055a1
c4207b2
. /etc/profile.d/modules.sh
03eeda2
for p in '' _d ; do
c4207b2
  for mpi in '' mpich openmpi ; do
c4207b2
    test -n "${mpi}" && module load mpi/${mpi}-%{_arch}
c4207b2
    mkdir -p ${mpi:-serial}${p}
c4207b2
    pushd ${mpi:-serial}${p}
c4207b2
    test -z "${mpi}" && cp -al ../regressiontests* tests/ # use with -DREGRESSIONTEST_PATH=${PWD}/tests below
c4207b2
    %{cmake3} %{defopts} \
a7141af
      $(test -n "${mpi}" && echo %{mpi} -DGMX_BINARY_SUFFIX=${MPI_SUFFIX}${p} -DGMX_LIBS_SUFFIX=${MPI_SUFFIX}${p} -DCMAKE_INSTALL_BINDIR=${MPI_BIN} || echo -DGMX_X11=ON) \
7e1001b
%ifnarch i686 %arm pcc64le # regressiontest are not support on 32-bit archs: http://redmine.gromacs.org/issues/2584#note-35, ppc64le: https://redmine.gromacs.org/issues/2734
bce0d7f
      $(test -z "${mpi}" && echo "-DREGRESSIONTEST_PATH=${PWD}/tests") \
6bed283
%endif
c4207b2
      $(test -n "$p" && echo %{double} || echo %{?single}) \
c4207b2
      ..
c4207b2
    %make_build
c4207b2
    popd
c4207b2
    test -n "${mpi}" && module unload mpi/${mpi}-%{_arch}
c4207b2
  done
03eeda2
done
03eeda2
1b055a1
%install
c4207b2
. /etc/profile.d/modules.sh
2055781
for p in '' _d ; do
c4207b2
  for mpi in '' mpich openmpi ; do
c4207b2
    test -n "${mpi}" && module load mpi/${mpi}-%{_arch}
c4207b2
    %make_install -C ${mpi:-serial}${p}
c4207b2
    test -n "${mpi}" && module unload mpi/${mpi}-%{_arch}
c4207b2
  done
2055781
done
939be9d
91cb199
mkdir -p %{buildroot}%{_docdir}/gromacs
91cb199
install -pm 644 AUTHORS COPYING README %{buildroot}%{_docdir}/gromacs
6e06a80
# Install manual & packager's note
Dominik Mierzejewski 3af74f4
install -cpm 644 serial/docs/manual/gromacs.pdf %{buildroot}%{_docdir}/gromacs/manual.pdf
3686730
install -cpm 644 %{SOURCE3} %{buildroot}%{_docdir}/gromacs/README.fedora
6e06a80
2055781
pushd %{buildroot}
5520db9
# rm GMXRC, not needed when installed in /usr
5520db9
rm ./%{_bindir}/GMXRC*
6e06a80
2055781
for bin in demux.pl xplor2gmx.pl; do
c4207b2
  mv ./%{_bindir}/$bin ./%{_bindir}/g_${bin}
6e06a80
done
6e06a80
6e06a80
# Move completion files around
5520db9
mkdir -p ./%{compdir}
5520db9
for bin in gmx{,_d}; do
c4207b2
  cat ./%{_bindir}/gmx-completion{,-$bin}.bash > ./%{compdir}/${bin}
c4207b2
  rm ./%{_bindir}/gmx-completion-${bin}.bash
5520db9
done
c4207b2
rm ./%{_bindir}/gmx-completion.bash ./%{_libdir}/*mpi*/bin/gmx-completion-*mpi*.bash
6e06a80
c245cf4
%ldconfig_scriptlets libs
5b702d1
2055781
%check
c4207b2
. /etc/profile.d/modules.sh
2055781
for p in '' _d ; do
c4207b2
  for mpi in '' mpich openmpi ; do
a7141af
    # https://bugzilla.redhat.com/show_bug.cgi?id=1512229 (retested 16. Feb 2018)
a7141af
%ifarch s390x armv7hl
c4207b2
    test "${mpi}"  = "openmpi" && continue
03eeda2
%endif
c4207b2
    test -n "${mpi}" && module load mpi/${mpi}-%{_arch}
c4207b2
    test -n "${mpi}" && xLD_LIBRARY_PATH=$LD_LIBRARY_PATH:%{buildroot}${MPI_LIB} || xLD_LIBRARY_PATH=%{buildroot}%{_libdir}
c4207b2
    LD_LIBRARY_PATH="${xLD_LIBRARY_PATH}" make -C ${mpi:-serial}${p} VERBOSE=1 %{?_smp_mflags} check
c4207b2
    test -n "${mpi}" && module unload mpi/${mpi}-%{_arch}
c4207b2
  done
2055781
done
6e06a80
6e06a80
%files
2055781
%{_bindir}/gmx*
8cb2189
%{_bindir}/g_*
6e06a80
6e06a80
%files common
91cb199
%{_docdir}/gromacs
91cb199
%exclude %{_docdir}/gromacs/manual.pdf
5520db9
%{compdir}/gmx*
Dominik 'Rathann' Mierzejewski ec7612c
%{_mandir}/man1/gmx*.1*
91cb199
%{_datadir}/%{name}
2055781
%exclude %{_datadir}/%{name}/template
Dominik Mierzejewski 3af74f4
%if %{with_opencl}
dbabc09
%exclude %{_datadir}/%{name}/opencl
dbabc09
dbabc09
%files opencl
Dominik Mierzejewski 3af74f4
%doc docs/OpenCLTODOList.txt
dbabc09
%{_datadir}/%{name}/opencl
c96123a
%endif
6e06a80
91cb199
%files doc
91cb199
%{_docdir}/gromacs/manual.pdf
91cb199
7fad780
%files libs
2055781
%{_libdir}/libgromacs*.so.*
7fad780
6e06a80
%files devel
6e06a80
%{_includedir}/%{name}
2055781
%{_libdir}/libgromacs*.so
2055781
%{_libdir}/pkgconfig/libgromacs*.pc
2055781
%{_datadir}/%{name}/template
d61d4b3
%{_datadir}/cmake/gromacs*
6e06a80
1b055a1
%files openmpi
d61d4b3
%{_libdir}/openmpi/bin/mdrun_openmpi*
4fd2f7f
Deji Akingunola 8861b54
%files mpich
d61d4b3
%{_libdir}/mpich/bin/mdrun_mpich*
7fad780
6e06a80
%changelog
4def446
* Wed Oct 02 2019 Christoph Junghans <junghans@votca.org> - 2019.4-1
4def446
- Version bump to 2019.4 (bug #1757694)
4def446
3e79866
* Sun Aug 25 2019 Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 2019.3-1.2
3e79866
- Rebuilt for hwloc-2.0
3e79866
2c6d39d
* Thu Jul 25 2019 Fedora Release Engineering <releng@fedoraproject.org> - 2019.3-1.1
2c6d39d
- Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild
2c6d39d
58be936
* Fri Jun 14 2019 Christoph Junghans <junghans@votca.org> - 2019.3-1
58be936
- Version bump to 2019.3 (bug #1720697)
58be936
6bed283
* Tue Apr 16 2019 Christoph Junghans <junghans@votca.org> - 2019.2-1
6bed283
- Version bump to 2019.2 (bug #1677678)
6bed283
a7141af
* Sat Feb 16 2019 Christoph Junghans <junghans@votca.org> - 2019.1-1
a7141af
- Version bump to 2019.1 (bug #1677678)
a7141af
af6338f
* Thu Feb 14 2019 Orion Poplawski <orion@nwra.com> - 2018.5-2
af6338f
- Rebuild for openmpi 3.1.3
af6338f
c6e74ff
* Fri Feb 01 2019 Christoph Junghans <junghans@votca.org> - 2018.5-1
c6e74ff
- Version bump to 2018.5
c6e74ff
2ebfac1
* Fri Feb 01 2019 Fedora Release Engineering <releng@fedoraproject.org> - 2018.4-1.1
2ebfac1
- Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild
2ebfac1
0320e1c
* Mon Nov 12 2018 Christoph Junghans <junghans@votca.org> - 2018.4-1
0320e1c
- Version bump to 2018.4
17c39be
- Re-added gromacs-issue-2366.patch for f28 and lower
0320e1c
1fa24ba
* Thu Nov 8 2018 Christoph Junghans <junghans@votca.org> - 2018.3-2
1fa24ba
- Enable OpenCL for some archs on epel7
17e8434
- Drop gromacs-issue-2366.patch (bug #1558206) - seems to be fixed
1fa24ba
c4207b2
* Fri Nov 2 2018 Christoph Junghans <junghans@votca.org> - 2018.3-1
c4207b2
- Version bump to 2018.3
c4207b2
- Major spec files clean up
c4207b2
c245cf4
* Wed Jul 18 2018 Christoph Junghans <junghans@votca.org> - 2018.2-1
c245cf4
- Version bump to 2018.2 (bug #1591052)
c245cf4
- Add support for lmfit-7 (patch will be part of v2019)
c245cf4
- Switch to OpenBlas (bug #1602822)
c245cf4
- Disable brittle regressiontests
c245cf4
3df7ab5
* Fri Jul 13 2018 Fedora Release Engineering <releng@fedoraproject.org> - 2018.1-1.1
3df7ab5
- Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild
3df7ab5
d770ba4
* Tue Mar 27 2018 Christoph Junghans <junghans@votca.org> - 2018.1-1
5c5e375
- Bump to version 2018.1 (bug #1559202)
5c5e375
c3a5a13
* Sat Feb 24 2018 Christoph Junghans <junghans@votca.org> - 2018-1.2
c3a5a13
- add gcc-c++ as BuildRequires
c3a5a13
- use bundled tinyml2 to build tests, system one is too new
c3a5a13
66792a5
* Wed Feb 07 2018 Fedora Release Engineering <releng@fedoraproject.org> - 2018-1.1
66792a5
- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild
66792a5
4472f9b
* Fri Jan 19 2018 Christoph Junghans <junghans@votca.org> - 2018-1
4472f9b
- Update to 2018
4472f9b
- Drop 43a0002.diff, merged upstream
4472f9b
6978073
* Sat Dec 30 2017 Christoph Junghans <junghans@votca.org> - 2018-0.2rc1
6978073
- Update to 2018-rc1 for testing
6978073
- Update b7713bf.diff to 43a0002.diff
6978073
01913de
* Mon Dec 25 2017 Christoph Junghans <junghans@votca.org> - 2018-0.1beta3
01913de
- Update to 2018-beta3 for testing
01913de
- Disable HardwareTopologyTest.NumaCacheSelfconsistency test on aarch64
01913de
- Run regressiontests for serial build (don't work for mpi build)
01913de
- Clean up
01913de
  - Drop execstack as everything is intristic now
01913de
  - No la .files anymore, so drop find -delete
01913de
  - OpenMPI was ported to s390, so enable it everywhere
01913de
1123e28
* Fri Sep 15 2017 Christoph Junghans <junghans@votca.org> - 2016.4-1
1123e28
- Update to 2016.4
1123e28
a76b66a
* Wed Aug 02 2017 Fedora Release Engineering <releng@fedoraproject.org> - 2016.3-3
a76b66a
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild
a76b66a
8b37772
* Wed Jul 26 2017 Fedora Release Engineering <releng@fedoraproject.org> - 2016.3-2
8b37772
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild
8b37772
e29e528
* Tue Mar 14 2017 Christoph Junghans <junghans@votca.org> - 2016.3-1
e29e528
- Update to 2016.3
e29e528
c0c3272
* Tue Feb 07 2017 Christoph Junghans <junghans@votca.org> - 2016.2-1
c0c3272
- Update to 2016.2
c0c3272
- Drop boost dependency, not uses anymore
c0c3272
- Drop gromacs-tng.patch, made it upstream
c0c3272
05cb241
* Fri Jan 27 2017 Jonathan Wakely <jwakely@redhat.com> - 2016.1-3
05cb241
- Rebuilt for Boost 1.63
05cb241
16acffe
* Fri Dec 23 2016 Christoph Junghans <junghans@votca.org> - 2016.1-2
1af3cb9
- fixed wording description
1af3cb9
- drop dangerous GMXRC* - not needed when installed in /usr
1af3cb9
  would prepent /usr/lib in LD_LIBRARY_PATH
1af3cb9
 -drop otherwise empty zsh/csh package as actual completion is done in 2016
1af3cb9
  nothing left in package after removing GMXRC.*
16acffe
- fix location of bash-completion
1af3cb9
- added GMX_USE_RDTSCP=OFF for docker, which has not support of rdtscp yet
5520db9
aeb0ebf
* Thu Nov 03 2016 Christoph Junghans <junghans@votca.org> - 2016.1-1
aeb0ebf
- Update to 2016.1
aeb0ebf
- Drop gromacs-use-system-lmfit.patch, made it upstream
aeb0ebf
- Update gromacs-tng.patch, https://gerrit.gromacs.org/#/c/6319/
aeb0ebf
Orion Poplawski d68e7f2
* Fri Oct 21 2016 Orion Poplawski <orion@cora.nwra.com>
Orion Poplawski d68e7f2
- Rebuild for openmpi 2.0
Orion Poplawski d68e7f2
Dominik 'Rathann' Mierzejewski ec7612c
* Tue Aug 23 2016 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 2016-1
Dominik 'Rathann' Mierzejewski ec7612c
- update to 2016 release
Dominik 'Rathann' Mierzejewski ec7612c
- drop upstreamed patches
Dominik 'Rathann' Mierzejewski ec7612c
- fix build with system lmfit
Dominik 'Rathann' Mierzejewski ec7612c
- fix build with bundled tng removed
Dominik 'Rathann' Mierzejewski ec7612c
- drop pocl from BuildRequires, it's not required to build
Dominik 'Rathann' Mierzejewski ec7612c
- enable OpenCL on all arches (except ppc64le, where it's still failing)
Dominik 'Rathann' Mierzejewski ec7612c
Dominik 'Rathann' Mierzejewski a2ef00b
* Sat May 21 2016 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 2016-0.5.20160510gitd44d7d6
Dominik 'Rathann' Mierzejewski a2ef00b
- unbundle tinyxml2
Dominik 'Rathann' Mierzejewski a2ef00b
Dominik Mierzejewski d2e9bc9
* Sun Apr 10 2016 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 2016-0.4.20160510gitd44d7d6
Dominik Mierzejewski d2e9bc9
- update from git master
Dominik Mierzejewski d2e9bc9
- enable OpenCL on armv7hl and BR: pocl >= 0.13-4 (#1324438)
Dominik Mierzejewski d2e9bc9
- drop libxml2 BR (upstream switched to bundled tinyxml2-3.0.0)
Dominik Mierzejewski d2e9bc9
- add missing arches in arch-dependent sections
Dominik Mierzejewski d2e9bc9
Dominik Mierzejewski efaa10c
* Wed Apr 06 2016 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 2016-0.3.20160403gitd6e35c9
Dominik Mierzejewski efaa10c
- re-enable OpenCL (pocl was fixed recently)
Dominik Mierzejewski efaa10c
Dominik 'Rathann' Mierzejewski 5a98a0a
* Mon Apr 04 2016 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 2016-0.2.20160403gitd6e35c9
Dominik 'Rathann' Mierzejewski 5a98a0a
- update to git master branch
Dominik 'Rathann' Mierzejewski 5a98a0a
- drop obsolete patches
Dominik 'Rathann' Mierzejewski 9c74985
- enable NEON instructions on armv7hnl arch
Dominik 'Rathann' Mierzejewski de9a1b5
- drop condition around execstack usage, it's available everywhere now
Dominik 'Rathann' Mierzejewski 5a98a0a
Dominik Mierzejewski 3af74f4
* Fri Mar 18 2016 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 2016-0.1.20160318gitbec9c87
Dominik Mierzejewski 3af74f4
- update to git master branch
Dominik Mierzejewski 3af74f4
- disable OpenCL for now (due to pocl FTBFS #1307869)
Dominik Mierzejewski 3af74f4
- use BOOL with all boolean cmake options
Dominik Mierzejewski 598c20b
- enable hwloc support
Dominik Mierzejewski a23d19b
- don't install OpenCL kernels by default (but recommend them)
Dominik Mierzejewski 0018e38
- unbundle lmfit (F24+), tng
Dominik Mierzejewski af63436
- don't build shared libs for MPI builds
Dominik Mierzejewski af63436
- drop -libs and -devel MPI subpackages
Dominik 'Rathann' Mierzejewski 8cb411f
- disable failing tests on arm and i686
Dominik Mierzejewski 3af74f4
d198f49
* Wed Feb 03 2016 Fedora Release Engineering <releng@fedoraproject.org> - 5.1.1-2
d198f49
- Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild
d198f49
Dominik Mierzejewski d867a57
* Tue Nov 17 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.1.1-1
Dominik Mierzejewski d867a57
- update to 5.1.1
Dominik Mierzejewski d867a57
6d8eab3
* Wed Sep 23 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.1-6
6d8eab3
- don't remove -DNDEBUG from CFLAGS (makes HandlesPermuteModifier test fail
6d8eab3
  randomly)
6b78659
- convert shell variables to rpm macros
dbabc09
- enable OpenCL support (x86 and single precision only)
6d8eab3
8b571f4
* Tue Sep 22 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.1-5
8b571f4
- disable HandlesPermuteModifier test which fails randomly on i686
8b571f4
Orion Poplawski 73cffe4
* Tue Sep 15 2015 Orion Poplawski <orion@cora.nwra.com> - 5.1-4
Orion Poplawski 73cffe4
- Rebuild for openmpi 1.10.0
Orion Poplawski 73cffe4
f065433
* Thu Aug 27 2015 Jonathan Wakely <jwakely@redhat.com> - 5.1-3
f065433
- Rebuilt for Boost 1.59
f065433
a247040
* Wed Aug 19 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.1-2
a247040
- enable NEON SIMD on aarch64
a247040
- fix compilation of VSX code with double precision on ppc64le
a247040
- enable VSX on ppc64le only
a247040
- don't manually output testuite logs upon failure, ctest does that already
a247040
d61d4b3
* Sat Aug 15 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.1-1
d61d4b3
- update to 5.1
d61d4b3
- drop ancient Obsoletes:/Provides:
d61d4b3
- drop Group: tags
d61d4b3
- build mdrun-only MPI binaries again
03eeda2
- simplify SIMD enablement handling
03eeda2
- enable SIMD on ppc64(le)
03eeda2
- no execstack on ppc64 or s390(x), either
03eeda2
- output testsuite logs upon failure
d61d4b3
5403647
* Sat Aug 15 2015 Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 5.0.6-6
5403647
- Rebuild for MPI provides
5403647
27be059
* Mon Aug 10 2015 Sandro Mani <manisandro@gmail.com> - 5.0.6-5
27be059
- Rebuild for RPM MPI Requires Provides Change
27be059
Dominik Mierzejewski 17bdcc2
* Thu Aug 06 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.0.6-4
Dominik Mierzejewski e8db2c9
- fix up dependencies between subpackages
Dominik Mierzejewski e8db2c9
4737573
* Thu Aug 06 2015 Jonathan Wakely <jwakely@redhat.com> 5.0.6-3
4737573
- Rebuilt for Boost 1.58
4737573
06d98d2
* Wed Jul 29 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 5.0.6-2
06d98d2
- Rebuilt for https://fedoraproject.org/wiki/Changes/F23Boost159
06d98d2
b8431f1
* Sun Jul 26 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.0.6-1
b8431f1
- update to 5.0.6
b8431f1
fafded5
* Wed Jul 22 2015 David Tardon <dtardon@redhat.com> - 5.0.5-4
fafded5
- rebuild for Boost 1.58
fafded5
6cfd9da
* Wed Jun 17 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 5.0.5-3
6cfd9da
- Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild
6cfd9da
2556eed
* Mon Jun 15 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.0.5-2
2556eed
- obsolete old -common subpackage in -doc so that users don't lose the manual
2556eed
91cb199
* Sat Jun 13 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.0.5-1
91cb199
- update to 5.0.5
91cb199
- fix path to packaged dssp
91cb199
- drop upstreamed patch
91cb199
- move the large manual into a separate -doc subpackage
91cb199
2055781
* Tue Apr 14 2015 Dominik 'Rathann' Mierzejewski <rpm@greysector.net> - 5.0.4-1
2055781
- update to 5.0.4
2055781
- switch Motif library to original Motif (as it's in Fedora since long)
2055781
- link against new-style atlas library (atlas 3.10.1+)
2055781
- BR: boost-devel
2055781
- csh/zsh completion removed upstream
2055781
- move bash completion into main package
2055781
- separate ngmx and mdrun dropped upstream
2055781
- enable testsuite
2055781
- factorize a lot of build logic
2055781
- drop redundant comments
1803b16
- skip double precision tests on i686 (http://redmine.gromacs.org/issues/1716)
2055781
37f36b1
* Mon Apr 13 2015 Dominik Mierzejewski <rpm@greysector.net> - 4.6.5-6
37f36b1
- rebuilt for changed mpich libraries
37f36b1
9606a70
* Sat Aug 16 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 4.6.5-5
9606a70
- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild
9606a70
c0d315d
* Fri Jun 13 2014 Peter Robinson <pbrobinson@fedoraproject.org> 4.6.5-4
c0d315d
- Fix builds on aarch64/ppc64le
c0d315d
- Modernise spec
c0d315d
- Remove ancient obsoletes
c0d315d
7ef8738
* Sat Jun 07 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 4.6.5-3
7ef8738
- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild
7ef8738
Deji Akingunola 80ae998
* Sat Feb 22 2014 Deji Akingunola <dakingun@gmail.com> - 4.6.5-2
Deji Akingunola 80ae998
- Rebuild for mpich-3.1
Deji Akingunola 80ae998
5e860d3
* Tue Dec 03 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.6.5-1
5e860d3
- Update to 4.6.5.
5e860d3
1c57466
* Thu Nov 14 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.6.4-1
1c57466
- Update to 4.6.4.
1c57466
8baab57
* Sat Aug 03 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 4.6.3-3
8baab57
- Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild
8baab57
Deji Akingunola 8861b54
* Sat Jul 20 2013 Deji Akingunola <dakingun@gmail.com> - 4.6.3-2
Deji Akingunola 8861b54
- Rename mpich2 sub-packages to mpich and rebuild for mpich-3.0
Deji Akingunola 8861b54
af75594
* Sat Jul 06 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.6.3-1
af75594
- Update to 4.6.3.
af75594
0aefb59
* Tue Jun 04 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.6.2-1
0aefb59
- Update to 4.6.2.
0aefb59
dca273c
* Wed Mar 06 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.6.1-1
dca273c
- Update to 4.6.1.
dca273c
7743c4e
* Thu Feb 14 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 4.6-2
7743c4e
- Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild
7743c4e
b377008
* Mon Jan 21 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.6-1
b377008
- Update to stable 4.6 release.
b377008
b0ba4b7
* Mon Dec 31 2012 Dan Horák <dan[at]danny.cz> - 4.6-0.2.beta3
b0ba4b7
- fix build on non-x86 arches
b0ba4b7
e48395b
* Mon Dec 24 2012 Susi Lehtola <jussilehtola@fedoraproject.org> - 4.6-0.1.beta3
e48395b
- Update to 4.6 beta 3.
e48395b
45fd3f6
* Fri Nov 02 2012 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.5-3.1
45fd3f6
- Bump due to MPICH2 update.
45fd3f6
e3c9de4
* Thu Jul 19 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 4.5.5-3
e3c9de4
- Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild
e3c9de4
67267c9
* Fri Jan 13 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 4.5.5-2
67267c9
- Rebuilt for https://fedoraproject.org/wiki/Fedora_17_Mass_Rebuild
67267c9
a0c3b5c
* Tue Sep 20 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.5-1
a0c3b5c
- Update to 4.5.5.
a0c3b5c
Deji Akingunola 45d8b09
* Wed Mar 30 2011 Deji Akingunola <dakingun@gmail.com> - 4.5.4-2
Deji Akingunola 45d8b09
- Rebuild for mpich2 soname bump
Deji Akingunola 45d8b09
e1479ef
* Wed Mar 23 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.4-1
e1479ef
- Update to 4.5.4.
e1479ef
5b702d1
* Sun Feb 13 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.3-4
5b702d1
- Get rid of executable stacks.
afadb85
dd1e266
* Mon Feb 07 2011 Dan Horák <dan[at]danny.cz> - 4.5.3-3
dd1e266
- conditionalize OpenMPI support
dd1e266
- fix build on 64-bit platforms
dd1e266
9c3bc4d
* Mon Dec 20 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.3-2
9c3bc4d
- Fix rest of BZ #649338.
9c3bc4d
fead7d1
* Thu Nov 18 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.3-1
fead7d1
- Update to 4.5.3.
fead7d1
f35182f
* Fri Nov 05 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.2-3
f35182f
- Rebuild due to libxml2 soname bump.
f35182f
b830fd1
* Wed Nov 03 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.2-2
b830fd1
- Make gromacs package obsolete older versions of gromacs package due to the
b830fd1
  branching of libraries.
b830fd1
3de3193
* Mon Nov 01 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.2-1
3de3193
- Update to 4.5.2.
3de3193
7fad780
* Wed Oct 27 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.1-2
7fad780
- Patch around #644950.
7fad780
- Split libraries in own packages to avoid multilib problems.
7fad780
939be9d
* Sat Oct 09 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.5.1-1
939be9d
- Update to 4.5.1.
939be9d
3c91c48
* Sun Dec 06 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.0.7-1
3c91c48
- Update to 4.0.7.
3c91c48
cc7c0b6
* Sun Dec 06 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.0.6-1
cc7c0b6
- Update to 4.0.6.
cc7c0b6
8cb2189
* Fri Dec 04 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.0.5-6
8cb2189
- Fix file conflict.
8cb2189
031fcad
* Tue Dec 01 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.0.5-5
031fcad
- Put correct MPI devel package requires in place.
031fcad
c315d54
* Tue Dec 01 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.0.5-4
c315d54
- Fix obsoletes.
c315d54
1b055a1
* Mon Nov 30 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 4.0.5-3
1b055a1
- Combine libs with binaries and drop debug packages to avoid explosion of
1b055a1
  number of packages.
e3131b9
- Adopt use of MPI guidelines.
1b055a1
0b7b88a
* Fri Jul 24 2009 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 4.0.5-2
0b7b88a
- Rebuilt for https://fedoraproject.org/wiki/Fedora_12_Mass_Rebuild
0b7b88a
4fd2f7f
* Fri May 22 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.5-1
4fd2f7f
- Update to 4.0.5.
4fd2f7f
- Change spec %%defines to %%globals.
4fd2f7f
- Add debug subpackages to make debugging of GROMACS possible.
35dce57
ed60a6b
* Tue Feb 17 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.4-1
ed60a6b
- Update to 4.0.4.
ed60a6b
0ff216d
* Mon Jan 19 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.3-4
0ff216d
- Retry fixing gmxdemo.
0ff216d
2d0f49e
* Mon Jan 19 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.3-3
2d0f49e
- Fixed gmxdemo.
2d0f49e
26363c1
* Mon Jan 19 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.3-2
26363c1
- Fix EPEL 4 build.
26363c1
7b3f14a
* Mon Jan 19 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.3-1
7b3f14a
- Update to 4.0.3.
7b3f14a
ad6f154
* Wed Jan 14 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.2-7
ad6f154
- Update manual to latest version.
ad6f154
- Removed Requires: blas and lapack.
ad6f154
ad6f154
* Mon Nov 10 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.2-6
bb4bd8c
- Update to 4.0.2.
bb4bd8c
ad6f154
* Sun Nov 09 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.1-5
3f6f449
- Add Requires: blas too.
3f6f449
ad6f154
* Sun Nov 09 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.1-4
a90b748
- Update to 4.0.1.
a90b748
- Add Requires: lapack and openmpi to prevent yum from pulling atlas and lam
a90b748
instead.
a90b748
ad6f154
* Wed Oct 15 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-3
6e06a80
- Rename also man pages.
6e06a80
ad6f154
* Mon Oct 13 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-2
6e06a80
- Added noreplace to bash completion file.
6e06a80
- Changed double precision mpi binary suffix to _mpi_d.
6e06a80
ad6f154
* Sun Oct 12 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-1
6e06a80
- Update to Gromacs 4.0.
6e06a80
- Remove module system and patch file names to begin with g_.
6e06a80
ad6f154
* Wed Oct 08 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.15.rc3
6e06a80
- Changed location of binaries.
6e06a80
- Removed conflict of module file, as the program is binary compatible with older versions.
6e06a80
ad6f154
* Wed Oct 08 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.14.rc3
6e06a80
- The gromacs module is loaded automatically and it conflicts with gromacs3.
6e06a80
ad6f154
* Tue Oct 07 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.13.rc3
6e06a80
- Renamed module files from %%{name}-%%{version} to %%{name}.
6e06a80
ad6f154
* Mon Oct 06 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.12.rc3
6e06a80
- Fix BR to get GROMACS to build in mock for epel-4.
6e06a80
ad6f154
* Sat Oct 04 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.11.rc3
6e06a80
- Fix to get GROMACS to build in mock for epel-5.
6e06a80
ad6f154
* Sat Oct 04 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.10.rc3
6e06a80
- Implement module system & remove binary renaming.
6e06a80
- No need for autoreconf anymore.
6e06a80
- Update to rc3.
6e06a80
ad6f154
* Sat Oct 04 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.9.rc2
6e06a80
- Fall back to autoreconf due to binary renaming.
6e06a80
ad6f154
* Fri Oct 03 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.8.rc2
6e06a80
- Modified install commands to preserve timestamps.
6e06a80
ad6f154
* Fri Oct 03 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.7.rc2
6e06a80
- Even more review fixes.
6e06a80
- Binaries renamed:
6e06a80
	highway	->	g_highway
6e06a80
	luck	->	g_luck
6e06a80
	sigeps	->	g_sigeps
6e06a80
	wheel	->	g_wheel
6e06a80
ad6f154
* Thu Oct 02 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.6.rc2
6e06a80
- Final review fixes.
6e06a80
ad6f154
* Wed Oct 01 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.5.rc2
6e06a80
- Strip down requires by branching tutor to its own package.
6e06a80
ad6f154
* Tue Sep 30 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.4.rc2
6e06a80
- Extensive package review fixes.
6e06a80
- Unclear licenses on some files, filed upstream bug 217.
6e06a80
  http://bugzilla.gromacs.org/show_bug.cgi?id=217
6e06a80
ad6f154
* Mon Sep 29 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.3.rc2
6e06a80
- Move .so files to -devel package.
6e06a80
- Remove .la files.
6e06a80
ad6f154
* Mon Sep 29 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.2.rc2
6e06a80
- Implement out-of-tree-builds.
6e06a80
- Add --noexecstack to CFLAGS.
6e06a80
- Remove execstack procedure and prelink from buildreqs.
6e06a80
- Filed upstream bug 215 to add .note.GNU-stack .
6e06a80
- Fix incorrect file permission on src/tools/gmx_xpm2ps.c .
6e06a80
ad6f154
* Mon Sep 29 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.1.rc2
6e06a80
- Alphabetized buildrequires.
6e06a80
- Changed gromacs-share to gromacs-common.
6e06a80
ad6f154
* Fri Sep 26 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.0.rc2
6e06a80
- Initial build.