Accepting request 699890 from devel:languages:python:numeric

OBS-URL: https://build.opensuse.org/request/show/699890
OBS-URL: https://build.opensuse.org/package/show/openSUSE:Factory/python3-espressomd?expand=0&rev=3

espresso-4.0.1.tar.gz

@@ -1,3 +0,0 @@
-version https://git-lfs.github.com/spec/v1
-oid sha256:17b7268eeba652a77f861bc534cdd05d206e7641d203a9dd5029b44bd422304b
-size 25793301

espresso-4.0.2.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:89878ab44a58e90b69d56368e961b8ca13d9307f8d4b282967a1f3071a62c740
+size 25826263

python3-espressomd.changes

@@ -1,3 +1,44 @@
+-------------------------------------------------------------------
+Tue Apr 30 18:06:33 UTC 2019 - Christoph Junghans <junghans@votca.org>
+
+- Version bump to 4.0.2
+  *Corrections for bugs that may harm simulation results:
+   * A sign error in tabulated interactions was corrected such that
+     the force equals the negative gradient of the potential.
+     (#2519,2520)
+   * The flow field of the CPU lattice-Boltzmann implementation was
+     deleted when aspects of the molecular dynamics cell grid were
+     changed; E.g., when interactions, the skin or the parallelization
+     setup were changed. ESPResSo now terminates with an error, when this
+     happens. To avoid this, please setup the CPU lattice-Boltzmann after
+     all other aspects of the system. The GPU LB is not affected in the
+     4.0 release, but was affected in the current development branch.
+     (#2728, #2736)
+   * Corrected the force acting on LB Boundaries for the case of
+     agrid and density not equal to 1 (#2624).
+   * Corrected the cutoff calculation for the soft sphere interaction. In
+     the previous implementation, the offset parameter was ignored.
+     (#2505)
+   * The "three point coupling" of particles to the lattice-Boltzmann
+     method has been removed. While it works in most environments, for
+     some compilers the calculation gives wrong values. This is likely
+     caused by undefined behavior. A corrected implementation is
+     available in ESPResSo's development branch. It cannot be safely
+     backported to 4.0.2, because the code has diverged too far. (#2516,
+     #2517) Users who did not explicitly activate this coupling via
+     couple="3pt" are not affected.
+   * The velocity of existing particles was changed when setting or
+     changing the simulation time step (#2480)
+ * Further changes:
+   * Fixed the electrokinetic Python interface (#2486)
+   * Correction to the installation instructions for mac (#2510)
+   * Corrected file permissions (#2470)
+   * Minor corrections and extensions to the test suite (#2477, #2552)
+   * Fixed a dead-lock in the dipolar Barnes Hutt method on the GPU for
+     recent NVIDIA cards such as RTX 2080 (#2719).
+   * Restored Mayavi visualizer's API-compatibility with OpenGL
+     visualizer (#2751)
+
 -------------------------------------------------------------------
 Fri Jan 25 16:28:37 UTC 2019 - Christoph Junghans <junghans@votca.org>
 

python3-espressomd.spec

@@ -32,7 +32,7 @@
 %define modname %{pkgname}md
 %define sonum 4
 Name:           python3-%{modname}
-Version:        4.0.1
+Version:        4.0.2
 Release:        0
 Summary:        Parallel simulation software for soft matter research
 License:        GPL-3.0-or-later
@@ -74,7 +74,7 @@ Group:          System/Libraries
 This package provides shared libraries for ESPResSo.
 
 %prep
-%setup -q -n %{pkgname}-%{version}
+%setup -q -n %{pkgname}
 
 %build
 source %{_libdir}/mpi/gcc/%{mpi_implem}/bin/mpivars.sh
@@ -86,26 +86,18 @@ source %{_libdir}/mpi/gcc/%{mpi_implem}/bin/mpivars.sh
   -DLIBDIR=%{_lib} \
   -DPYTHON_EXECUTABLE=%{_bindir}/python3 \
   -DINSTALL_PYPRESSO=OFF
-
+%make_jobs
-make %{?_smp_mflags}
 
 %install
-make -C build install DESTDIR=%{buildroot}
+%cmake_install
+
+#fix some permissions
 find %{buildroot}%{_prefix} -name "*.so" -exec chmod +x {} \;
 find %{buildroot}%{_prefix} -name "gen_pxiconfig" -exec chmod +x {} \;
 # no devel package
 rm -f %{buildroot}%{_libdir}/lib*.so
 
 %check
-# https://github.com/espressomd/espresso/issues/2468
-%ifarch ppc64 ppc64le
-%global testargs ARGS='-E npt'
-%endif
-# https://github.com/espressomd/espresso/issues/2469
-%ifarch aarch64
-%global testargs ARGS='-E analyze_gyration_tensor'
-%endif
-
 LD_LIBRARY_PATH='%{buildroot}/%{_libdir}::%{_libdir}/mpi/gcc/%{mpi_implem}/%{_lib}' make -C build check CTEST_OUTPUT_ON_FAILURE=1 %{?testargs:%{testargs}}
 
 %post -n libEspresso%{sonum} -p /sbin/ldconfig