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=24af4edf0c....
Change:
+%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
Thanks.
Full change:
============
commit 24af4edf0cb3584169c0fe91d0392aa68b63e0b9
Author: Christoph Junghans <junghans(a)votca.org>
Date: Mon Dec 23 15:46:30 2019 -0700
Version bump to 2019.5 (bug #1786201)
diff --git a/.gitignore b/.gitignore
index 6bf2c49..cb5dc18 100644
--- a/.gitignore
+++ b/.gitignore
@@ -80,3 +80,6 @@ manual-4.0.pdf
/gromacs-2019.4.tar.gz
/manual-2019.4.pdf
/regressiontests-2019.4.tar.gz
+/gromacs-2019.5.tar.gz
+/manual-2019.5.pdf
+/regressiontests-2019.5.tar.gz
diff --git a/gromacs.spec b/gromacs.spec
index 5437aeb..8d2f9bf 100644
--- a/gromacs.spec
+++ b/gromacs.spec
@@ -29,7 +29,7 @@
%endif
Name: gromacs
-Version: 2019.4
+Version: 2019.5
Release: 1%{?dist}
Summary: Fast, Free and Flexible Molecular Dynamics
License: GPLv2+
@@ -258,7 +258,7 @@ for p in '' _d ; do
test -z "${mpi}" && cp -al ../regressiontests* tests/ # use with
-DREGRESSIONTEST_PATH=${PWD}/tests below
%{cmake3} %{defopts} \
$(test -n "${mpi}" && echo %{mpi}
-DGMX_BINARY_SUFFIX=${MPI_SUFFIX}${p} -DGMX_LIBS_SUFFIX=${MPI_SUFFIX}${p}
-DCMAKE_INSTALL_BINDIR=${MPI_BIN} || echo -DGMX_X11=ON) \
-%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
+%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
$(test -z "${mpi}" && echo
"-DREGRESSIONTEST_PATH=${PWD}/tests") \
%endif
$(test -n "$p" && echo %{double} || echo %{?single}) \
@@ -357,6 +357,9 @@ done
%{_libdir}/mpich/bin/mdrun_mpich*
%changelog
+* Mon Dec 23 2019 Christoph Junghans <junghans(a)votca.org> - 2019.5-1
+- Version bump to 2019.5 (bug #1786201)
+
* Wed Oct 02 2019 Christoph Junghans <junghans(a)votca.org> - 2019.4-1
- Version bump to 2019.4 (bug #1757694)
- drop cmake-3.11.4.patch to merged upstream
diff --git a/sources b/sources
index 7c1cf74..0d10fe0 100644
--- a/sources
+++ b/sources
@@ -1,3 +1,3 @@
-SHA512 (gromacs-2019.4.tar.gz) =
adc6dea187b7f3a3c13fcd39445ae45248d46d56b0102fda47b1850b83ff1fb77a3fec99d4a4124b01ed04646dab6ab67749eae1bec36d1ba6f2205855cd29f8
-SHA512 (manual-2019.4.pdf) =
37b1248fd97c183f35faa3e0f6d7006a0f3f2f6aca5ab5b4e27728abcacc745f45255dbeb67989afc4dc5ba1384f2275c6a7766ee438f2fd4020ec803fca28ee
-SHA512 (regressiontests-2019.4.tar.gz) =
45de03d368da4e6e5c647f3fea61d64defe6d1cbc1c4219eeac2db27559e3cea7f15f9acb3e56ab934b44ca3ae4ce199b4e4969f704776bb9f0b23f1a34ff56d
+SHA512 (gromacs-2019.5.tar.gz) =
fdd177e4dfd29629b72bfbb4d61ff7bcdb37279f534883a9df8fd57569212fe1e9f8b8c9cec347fcc607539f31412d604d11ee3c0eb797251960435962b1bec6
+SHA512 (manual-2019.5.pdf) =
baf27961b87e6120c49abc9dc58e25d12a15588b4ac787e1a086748d488692d4a1262229ac66e550d3cca3a6042545fb6ec472a2c98d6a8698b7a18b4397f605
+SHA512 (regressiontests-2019.5.tar.gz) =
7c0917b76e7db35ab4e3271d523d268e0e2d858091e68ead863bfe6d1e56b381e30fdbf44f479f6e065c029e2eb27cfa0dbaa1b243f185144321aaf5084c55ce
commit 1f96d18f96f3a6f755258e63565c39094faa2bad
Author: Christoph Junghans <junghans(a)votca.org>
Date: Mon Dec 23 13:27:49 2019 -0700
merge changes from epel8
diff --git a/package.cfg b/package.cfg
deleted file mode 100644
index 66ea79d..0000000
--- a/package.cfg
+++ /dev/null
@@ -1,2 +0,0 @@
-[koji]
-targets = epel8 epel8-playground
\ No newline at end of file
commit 47c01a73996e87afb2d9fa7bf6e3853026e5d97c
Author: Christoph Junghans <junghans(a)votca.org>
Date: Thu Oct 3 15:53:30 2019 -0600
Added in Recommends: blocks
diff --git a/gromacs.spec b/gromacs.spec
index a8e2b4d..5437aeb 100644
--- a/gromacs.spec
+++ b/gromacs.spec
@@ -12,11 +12,9 @@
%ifarch x86_64
%global simd SSE2
%endif
-%if 0%{?fedora} >= 29
%ifarch i686
%global simd SSE2
%endif
-%endif
%ifarch ppc64p7
%global simd IBM_VMX
%endif
@@ -60,10 +58,8 @@ BuildRequires: lmfit-devel >= 6.0
%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)
@@ -114,12 +110,10 @@ 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
@@ -182,10 +176,8 @@ 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
@@ -205,10 +197,8 @@ 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
commit b8cc88447c787ff9b0c0132ed8ea30f49b6ae9e0
Author: Christoph Junghans <junghans(a)votca.org>
Date: Wed Oct 2 16:27:14 2019 -0600
drop cmake-3.11.4.patch to merged upstream
diff --git a/cmake-3.11.4.patch b/cmake-3.11.4.patch
deleted file mode 100644
index 380e052..0000000
--- a/cmake-3.11.4.patch
+++ /dev/null
@@ -1,37 +0,0 @@
-From f97aee90fb7a53955f1056f8ed74fce1e6fee12f Mon Sep 17 00:00:00 2001
-From: Christoph Junghans <junghans(a)votca.org>
-Date: Thu, 19 Sep 2019 16:54:41 -0600
-Subject: [PATCH] workaround for bug #1749463, cmake bug #18349
-
-Change-Id: I14c1c0a4f33f26b128d55baa1b0455f8a463a999
----
- cmake/gmxManageMPI.cmake | 13 +++++++++++--
- 1 file changed, 11 insertions(+), 2 deletions(-)
-
-diff --git a/cmake/gmxManageMPI.cmake b/cmake/gmxManageMPI.cmake
-index 02db55732..daf06f12f 100644
---- a/cmake/gmxManageMPI.cmake
-+++ b/cmake/gmxManageMPI.cmake
-@@ -50,8 +50,17 @@ if(GMX_MPI)
- if(NOT MPI_FOUND)
- find_package(MPI)
- if(MPI_C_FOUND)
-- set(MPI_COMPILE_FLAGS ${MPI_C_COMPILE_FLAGS})
-- set(MPI_LINKER_FLAGS ${MPI_C_LINK_FLAGS})
-+ # workaround for bug #1749463, cmake bug #18349
-+ # set(MPI_COMPILE_FLAGS ${MPI_C_COMPILE_FLAGS})
-+ # set(MPI_LINKER_FLAGS ${MPI_C_LINK_FLAGS})
-+ set(MPI_COMPILE_FLAGS)
-+ foreach(_MPI_FLAG ${MPI_C_COMPILE_FLAGS})
-+ set(MPI_COMPILE_FLAGS "${MPI_COMPILE_FLAGS} ${_MPI_FLAG}")
-+ endforeach()
-+ set(MPI_LINKER_FLAGS)
-+ foreach(_MPI_FLAG ${MPI_C_LINK_FLAGS})
-+ set(MPI_LINKER_FLAGS "${MPI_LINKER_FLAGS} ${_MPI_FLAG}")
-+ endforeach()
- include_directories(SYSTEM ${MPI_C_INCLUDE_PATH})
- list(APPEND GMX_COMMON_LIBRARIES ${MPI_C_LIBRARIES})
- endif()
---
-2.21.0
-
diff --git a/gromacs.spec b/gromacs.spec
index 65236a3..a8e2b4d 100644
--- a/gromacs.spec
+++ b/gromacs.spec
@@ -48,8 +48,6 @@ Patch0: gromacs-dssp-path.patch
# enable some test on aarch64 -
https://redmine.gromacs.org/issues/2366
# bug#1558206
Patch1: gromacs-issue-2366.patch
-# workaround for bug #1749463, cmake bug #18349
-Patch2: cmake-3.11.4.patch
BuildRequires: gcc-c++
BuildRequires: cmake3 >= 3.4.3
BuildRequires: openblas-devel
@@ -230,9 +228,6 @@ This package single and double precision binaries and libraries.
%setup -q %{?SOURCE2:-a 2} -n gromacs-%{version}%{?_rc}
%patch0 -p1
%patch1 -p1
-%if 0%{?rhel} == 8
-%patch2 -p1
-%endif
install -Dpm644 %{SOURCE1} ./serial/docs/manual/gromacs.pdf
# Delete bundled stuff so that it doesn't get used accidentally
# Don't remove tinyxml2 as gromacs needs an old version to build
@@ -374,6 +369,7 @@ done
%changelog
* Wed Oct 02 2019 Christoph Junghans <junghans(a)votca.org> - 2019.4-1
- Version bump to 2019.4 (bug #1757694)
+- drop cmake-3.11.4.patch to merged upstream
* Sun Aug 25 2019 Zbigniew Jdrzejewski-Szmek <zbyszek(a)in.waw.pl> - 2019.3-1.2
- Rebuilt for hwloc-2.0
commit c4e03e843834afedcf05d1c621704c6cf5bb9d45
Merge: 4734ea2 4def446
Author: Christoph Junghans <junghans(a)votca.org>
Date: Wed Oct 2 16:23:35 2019 -0600
Merge branch 'master' into epel8
diff --cc gromacs.spec
index ca541f9,897c3b0..65236a3
--- a/gromacs.spec
+++ b/gromacs.spec
@@@ -29,10 -29,13 +29,10 @@@
%ifarch aarch64
%global simd ARM_NEON_ASIMD
%endif
-%endif
Name: gromacs
- Version: 2019.3
- Release: 1%{?_rcname}%{?dist}.2
+ Version: 2019.4
+ Release: 1%{?dist}
Summary: Fast, Free and Flexible Molecular Dynamics
License: GPLv2+
URL:
http://www.gromacs.org
commit 4734ea21a9626e6b7d78b940b79f9531f7e1ff03
Author: Christoph Junghans <junghans(a)votca.org>
Date: Fri Sep 20 09:42:26 2019 -0600
add missing patch
diff --git a/cmake-3.11.4.patch b/cmake-3.11.4.patch
new file mode 100644
index 0000000..380e052
--- /dev/null
+++ b/cmake-3.11.4.patch
@@ -0,0 +1,37 @@
+From f97aee90fb7a53955f1056f8ed74fce1e6fee12f Mon Sep 17 00:00:00 2001
+From: Christoph Junghans <junghans(a)votca.org>
+Date: Thu, 19 Sep 2019 16:54:41 -0600
+Subject: [PATCH] workaround for bug #1749463, cmake bug #18349
+
+Change-Id: I14c1c0a4f33f26b128d55baa1b0455f8a463a999
+---
+ cmake/gmxManageMPI.cmake | 13 +++++++++++--
+ 1 file changed, 11 insertions(+), 2 deletions(-)
+
+diff --git a/cmake/gmxManageMPI.cmake b/cmake/gmxManageMPI.cmake
+index 02db55732..daf06f12f 100644
+--- a/cmake/gmxManageMPI.cmake
++++ b/cmake/gmxManageMPI.cmake
+@@ -50,8 +50,17 @@ if(GMX_MPI)
+ if(NOT MPI_FOUND)
+ find_package(MPI)
+ if(MPI_C_FOUND)
+- set(MPI_COMPILE_FLAGS ${MPI_C_COMPILE_FLAGS})
+- set(MPI_LINKER_FLAGS ${MPI_C_LINK_FLAGS})
++ # workaround for bug #1749463, cmake bug #18349
++ # set(MPI_COMPILE_FLAGS ${MPI_C_COMPILE_FLAGS})
++ # set(MPI_LINKER_FLAGS ${MPI_C_LINK_FLAGS})
++ set(MPI_COMPILE_FLAGS)
++ foreach(_MPI_FLAG ${MPI_C_COMPILE_FLAGS})
++ set(MPI_COMPILE_FLAGS "${MPI_COMPILE_FLAGS} ${_MPI_FLAG}")
++ endforeach()
++ set(MPI_LINKER_FLAGS)
++ foreach(_MPI_FLAG ${MPI_C_LINK_FLAGS})
++ set(MPI_LINKER_FLAGS "${MPI_LINKER_FLAGS} ${_MPI_FLAG}")
++ endforeach()
+ include_directories(SYSTEM ${MPI_C_INCLUDE_PATH})
+ list(APPEND GMX_COMMON_LIBRARIES ${MPI_C_LIBRARIES})
+ endif()
+--
+2.21.0
+
commit 21b282cab3ea121d76f8c8e48caa6ccdc896b3cc
Author: Christoph Junghans <junghans(a)votca.org>
Date: Thu Sep 19 21:10:54 2019 -0600
fix build on epel8
diff --git a/gromacs.spec b/gromacs.spec
index 1a2689f..ca541f9 100644
--- a/gromacs.spec
+++ b/gromacs.spec
@@ -26,12 +26,9 @@
%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
-%endif
Name: gromacs
Version: 2019.3
@@ -51,6 +48,8 @@ Patch0: gromacs-dssp-path.patch
# enable some test on aarch64 -
https://redmine.gromacs.org/issues/2366
# bug#1558206
Patch1: gromacs-issue-2366.patch
+# workaround for bug #1749463, cmake bug #18349
+Patch2: cmake-3.11.4.patch
BuildRequires: gcc-c++
BuildRequires: cmake3 >= 3.4.3
BuildRequires: openblas-devel
@@ -231,6 +230,9 @@ This package single and double precision binaries and libraries.
%setup -q %{?SOURCE2:-a 2} -n gromacs-%{version}%{?_rc}
%patch0 -p1
%patch1 -p1
+%if 0%{?rhel} == 8
+%patch2 -p1
+%endif
install -Dpm644 %{SOURCE1} ./serial/docs/manual/gromacs.pdf
# Delete bundled stuff so that it doesn't get used accidentally
# Don't remove tinyxml2 as gromacs needs an old version to build
commit 0cb8c7fadeda47d563a4bfa6bea3dc3bbf534839
Author: Christoph Junghans <junghans(a)votca.org>
Date: Wed Sep 4 09:05:10 2019 -0600
added package.cfg
diff --git a/package.cfg b/package.cfg
new file mode 100644
index 0000000..66ea79d
--- /dev/null
+++ b/package.cfg
@@ -0,0 +1,2 @@
+[koji]
+targets = epel8 epel8-playground
\ No newline at end of file