diff --git a/espresso-4.0.1.tar.gz b/espresso-4.0.1.tar.gz deleted file mode 100644 index b42e3dc..0000000 --- a/espresso-4.0.1.tar.gz +++ /dev/null @@ -1,3 +0,0 @@ -version https://git-lfs.github.com/spec/v1 -oid sha256:17b7268eeba652a77f861bc534cdd05d206e7641d203a9dd5029b44bd422304b -size 25793301 diff --git a/espresso-4.0.2.tar.gz b/espresso-4.0.2.tar.gz new file mode 100644 index 0000000..3809f76 --- /dev/null +++ b/espresso-4.0.2.tar.gz @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:89878ab44a58e90b69d56368e961b8ca13d9307f8d4b282967a1f3071a62c740 +size 25826263 diff --git a/python3-espressomd.changes b/python3-espressomd.changes index 7aad48d..95e96ab 100644 --- a/python3-espressomd.changes +++ b/python3-espressomd.changes @@ -1,3 +1,44 @@ +------------------------------------------------------------------- +Tue Apr 30 18:06:33 UTC 2019 - Christoph Junghans + +- 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 diff --git a/python3-espressomd.spec b/python3-espressomd.spec index 1eb132d..c05bc2c 100644 --- a/python3-espressomd.spec +++ b/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 %{?_smp_mflags} +%make_jobs %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