The package rpms/gromacs.git has added or updated architecture specific content in its spec file (ExclusiveArch/ExcludeArch or %ifarch/%ifnarch) in commit(s): https://src.fedoraproject.org/cgit/rpms/gromacs.git/commit/?id=1fa24bacc7d06....
Change: +%ifarch ppc64le ppc64
Thanks.
Full change: ============
commit 0320e1ce802856a9d47a8d6b36ff600aefabec96 Author: Christoph Junghans junghans@votca.org Date: Mon Nov 12 17:49:17 2018 -0700
Version bump to 2018.4
diff --git a/gromacs.spec b/gromacs.spec index fe1b006..cdaec06 100644 --- a/gromacs.spec +++ b/gromacs.spec @@ -35,8 +35,8 @@ %endif
Name: gromacs -Version: 2018.3 -Release: 2%{?_rcname}%{?dist} +Version: 2018.4 +Release: 1%{?_rcname}%{?dist} Summary: Fast, Free and Flexible Molecular Dynamics License: GPLv2+ URL: http://www.gromacs.org @@ -378,6 +378,9 @@ done %{_libdir}/mpich/bin/mdrun_mpich*
%changelog +* Mon Nov 12 2018 Christoph Junghans junghans@votca.org - 2018.4-1 +- Version bump to 2018.4 + * Thu Nov 8 2018 Christoph Junghans junghans@votca.org - 2018.3-2 - Enable OpenCL for some archs on epel7 - Drop gromacs-issue-2366.patch (bug #1558206) - seems to be fixed
commit 368673009be7a62c56cfeef25265715fa1c3171c Author: Christoph Junghans junghans@votca.org Date: Thu Nov 8 14:10:53 2018 -0700
more clean up
diff --git a/gromacs-sphinx-no-man.patch b/gromacs-sphinx-no-man.patch deleted file mode 100644 index 68b43ee..0000000 --- a/gromacs-sphinx-no-man.patch +++ /dev/null @@ -1,12 +0,0 @@ -diff -up gromacs-bec9c8757e59cae58fc61ed841c0bb73c84079db/docs/conf.py.sphinx-no-man gromacs-bec9c8757e59cae58fc61ed841c0bb73c84079db/docs/conf.py ---- gromacs-bec9c8757e59cae58fc61ed841c0bb73c84079db/docs/conf.py.sphinx-no-man 2016-03-18 16:05:26.000000000 +0100 -+++ gromacs-bec9c8757e59cae58fc61ed841c0bb73c84079db/docs/conf.py 2016-03-24 10:26:42.361145156 +0100 -@@ -302,7 +302,7 @@ latex_documents = [ - - # One entry per manual page. List of tuples - # (source start file, name, description, authors, manual section). --execfile('conf-man.py') -+#execfile('conf-man.py') - - # If true, show URL addresses after external links. - #man_show_urls = False diff --git a/gromacs.spec b/gromacs.spec index f494cd4..fe1b006 100644 --- a/gromacs.spec +++ b/gromacs.spec @@ -1,6 +1,3 @@ -%global git 0 -%global commit d44d7d6bebdb7fa52090b744854d49f34099e044 -%global shortcommit %(c=%{commit}; echo ${c:0:7}) #global _rcname rc1 #global _rc -%%_rcname
@@ -44,31 +41,17 @@ Summary: Fast, Free and Flexible Molecular Dynamics License: GPLv2+ URL: http://www.gromacs.org
-%if %{git} -Source0: https://github.com/gromacs/gromacs/archive/%%7Bcommit%7D/gromacs-%%7Bcommit%... -# required for building the manual -BuildRequires: %{_bindir}/bibtex -BuildRequires: %{_bindir}/convert -BuildRequires: %{_bindir}/dvips -BuildRequires: %{_bindir}/latex2html -BuildRequires: %{_bindir}/makeindex -BuildRequires: %{_bindir}/pdflatex -BuildRequires: python2-sphinx -%else Source0: ftp://ftp.gromacs.org/pub/gromacs/gromacs-%{version}%{?_rc}.tar.gz Source1: ftp://ftp.gromacs.org/pub/manual/manual-%{version}%{?_rc}.pdf # Too britle sind 2018.2 Source2: http://gerrit.gromacs.org/download/regressiontests-%%7Bversion%7D%%7B?_rc%7D... -%endif -Source6: gromacs-README.fedora +Source3: gromacs-README.fedora # fix path to packaged dssp # https://bugzilla.redhat.com/show_bug.cgi?id=1203754 Patch0: gromacs-dssp-path.patch -# fix building documentation -Patch3: gromacs-sphinx-no-man.patch -# add support for lmfit-7.0 +# add support for lmfit-7.0, can be dropped in gromacs-2019 # https://redmine.gromacs.org/issues/2533 -Patch4: facb927.diff +Patch1: facb927.diff BuildRequires: gcc-c++ BuildRequires: cmake3 >= 3.4.3 BuildRequires: openblas-devel @@ -247,23 +230,16 @@ This package single and double precision binaries and libraries.
%prep -%if %{git} -%setup -q -n gromacs-%{commit} -%patch3 -p1 -b .sphinx-no-man -%else %setup -q %{?SOURCE2:-a 2} -n gromacs-%{version}%{?_rc} -%patch4 -p1 +%patch0 -p1 +%patch1 -p1 install -Dpm644 %{SOURCE1} ./serial/docs/manual/gromacs.pdf -%endif -%patch0 -p1 -b .dssp # Delete bundled stuff so that it doesn't get used accidentally # Don't remove tinyxml2 as gromacs needs an old version to build # test, see: https://redmine.gromacs.org/issues/2389 rm -r src/external/{fftpack,tng_io,lmfit}
%build -export LDFLAGS="-L%{_libdir}/atlas" - # Default options, used for all compilations %global defopts \\ -DBUILD_TESTING:BOOL=ON \\ @@ -328,7 +304,7 @@ mkdir -p %{buildroot}%{_docdir}/gromacs install -pm 644 AUTHORS COPYING README %{buildroot}%{_docdir}/gromacs # Install manual & packager's note install -cpm 644 serial/docs/manual/gromacs.pdf %{buildroot}%{_docdir}/gromacs/manual.pdf -install -cpm 644 %{SOURCE6} %{buildroot}%{_docdir}/gromacs/README.fedora +install -cpm 644 %{SOURCE3} %{buildroot}%{_docdir}/gromacs/README.fedora
pushd %{buildroot} # rm GMXRC, not needed when installed in /usr
commit 17e84349eef773b9ca61b92b6d230167fb1beae0 Author: Christoph Junghans junghans@votca.org Date: Thu Nov 8 09:12:48 2018 -0700
drop gromacs-issue-2366.patch
diff --git a/gromacs-issue-2366.patch b/gromacs-issue-2366.patch deleted file mode 100644 index 7c08010..0000000 --- a/gromacs-issue-2366.patch +++ /dev/null @@ -1,19 +0,0 @@ -diff --git a/src/gromacs/hardware/tests/hardwaretopology.cpp b/src/gromacs/hardware/tests/hardwaretopology.cpp -index ed7897b01..c31d4b9cd 100644 ---- a/src/gromacs/hardware/tests/hardwaretopology.cpp -+++ b/src/gromacs/hardware/tests/hardwaretopology.cpp -@@ -185,12 +185,14 @@ TEST(HardwareTopologyTest, NumaCacheSelfconsistency) - } - } - -+#ifndef __aarch64__ - // Check cache. The hwloc cache detection is fragile and can report - // 0 for line size or associativity (=unknown), so we just check the size. - for (auto &c : hwTop.machine().caches) - { - EXPECT_GT(c.size, 0); - } -+#endif - } - } - diff --git a/gromacs.spec b/gromacs.spec index e4744d9..f494cd4 100644 --- a/gromacs.spec +++ b/gromacs.spec @@ -64,9 +64,6 @@ Source6: gromacs-README.fedora # fix path to packaged dssp # https://bugzilla.redhat.com/show_bug.cgi?id=1203754 Patch0: gromacs-dssp-path.patch -# enable some test on aarch64 - https://redmine.gromacs.org/issues/2366 -# bug#1558206 -Patch2: gromacs-issue-2366.patch # fix building documentation Patch3: gromacs-sphinx-no-man.patch # add support for lmfit-7.0 @@ -255,7 +252,6 @@ This package single and double precision binaries and libraries. %patch3 -p1 -b .sphinx-no-man %else %setup -q %{?SOURCE2:-a 2} -n gromacs-%{version}%{?_rc} -%patch2 -p1 %patch4 -p1 install -Dpm644 %{SOURCE1} ./serial/docs/manual/gromacs.pdf %endif @@ -408,6 +404,7 @@ done %changelog * Thu Nov 8 2018 Christoph Junghans junghans@votca.org - 2018.3-2 - Enable OpenCL for some archs on epel7 +- Drop gromacs-issue-2366.patch (bug #1558206) - seems to be fixed
* Fri Nov 2 2018 Christoph Junghans junghans@votca.org - 2018.3-1 - Version bump to 2018.3
commit 1fa24bacc7d06a34199d3b0ac390c028eae51c67 Author: Christoph Junghans junghans@votca.org Date: Thu Nov 8 06:04:14 2018 -0700
Enable OpenCL for some archs on epel7
diff --git a/gromacs.spec b/gromacs.spec index 21a1378..e4744d9 100644 --- a/gromacs.spec +++ b/gromacs.spec @@ -6,11 +6,8 @@
%global with_opencl 1 # compilation of OpenCL support is failing only on ppc64le (retested 5 Nov 2018) -%ifarch ppc64le -%global with_opencl 0 -%endif -# don't build opencl on RHEL -%if 0%{?rhel} +# compilation of OpenCL support is failing only on ppc64 on rhel (retested 7 Nov 2018) +%ifarch ppc64le ppc64 %global with_opencl 0 %endif
@@ -23,8 +20,6 @@ %global simd SSE2 %endif %endif -# binutils on RHEL is too old for these ppe64 and arm simd kernels -%if 0%{?fedora} %ifarch ppc64p7 %global simd IBM_VMX %endif @@ -35,6 +30,8 @@ %ifarch armv7hnl %global simd ARM_NEON %endif +# ARM_NEON_ASIMD doesn't work on rhel, tested 7.Nov.2018 +%if 0%{?fedora} %ifarch aarch64 %global simd ARM_NEON_ASIMD %endif @@ -42,7 +39,7 @@
Name: gromacs Version: 2018.3 -Release: 1%{?_rcname}%{?dist} +Release: 2%{?_rcname}%{?dist} Summary: Fast, Free and Flexible Molecular Dynamics License: GPLv2+ URL: http://www.gromacs.org @@ -88,8 +85,10 @@ BuildRequires: motif-devel %if %{with_opencl} BuildRequires: ocl-icd-devel BuildRequires: opencl-headers +%if 0%{?fedora} Recommends: gromacs-opencl = %{version}-%{release} %endif +%endif BuildRequires: tng-devel BuildRequires: bash-completion %define compdir %(pkg-config --variable=completionsdir bash-completion) @@ -140,10 +139,12 @@ This package includes architecture independent data and HTML documentation. %package opencl Summary: GROMACS OpenCL kernels # suggest installing a GPU-based OpenCL implementation +%if 0%{?fedora} Suggests: beignet Suggests: mesa-libOpenCL # or at least a CPU-based one Suggests: pocl +%endif
%description opencl GROMACS is a versatile and extremely well optimized package to perform @@ -206,8 +207,10 @@ This package contains libraries needed for operation of GROMACS. Summary: GROMACS Open MPI binaries and libraries Requires: gromacs-common = %{version}-%{release} %if %{with_opencl} +%if 0%{?fedora} Recommends: gromacs-opencl = %{version}-%{release} %endif +%endif Obsoletes: gromacs-openmpi-libs < 2016-0.1.20160318gitbec9c87 BuildRequires: openmpi-devel
@@ -227,8 +230,10 @@ This package single and double precision binaries and libraries. Summary: GROMACS MPICH binaries and libraries Requires: gromacs-common = %{version}-%{release} %if %{with_opencl} +%if 0%{?fedora} Recommends: gromacs-opencl = %{version}-%{release} %endif +%endif Obsoletes: gromacs-mpich-libs < 2016-0.1.20160318gitbec9c87 BuildRequires: mpich-devel
@@ -401,6 +406,9 @@ done %{_libdir}/mpich/bin/mdrun_mpich*
%changelog +* Thu Nov 8 2018 Christoph Junghans junghans@votca.org - 2018.3-2 +- Enable OpenCL for some archs on epel7 + * Fri Nov 2 2018 Christoph Junghans junghans@votca.org - 2018.3-1 - Version bump to 2018.3 - Major spec files clean up
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