Christoph Junghans

``` [ 54%] Building CXX object src/CMakeFiles/_espressopp.dir/interaction/Interaction.cpp.o cd /__w/espressopp/espressopp/build/src && /usr/lib64/ccache/g++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_FILESYSTEM_DYN_LINK -DBOOST_FILESYSTEM_NO_LIB -DBOOST_MPI_DYN_LINK -DBOOST_MPI_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DHAS_GROMACS -DTMPI_USE_VISIBILITY -D_espressopp_EXPORTS -I/__w/espressopp/espressopp/src...

Buffer Overflow in NumPy

1

https://github.com/espressopp/espressopp/security/dependabot/1

@XzzX @stuehn Can you test this to setup a Developer environment for Espresso++: ``` spack env create espressopp spack env activate espressopp spack install --only dependencies -v py-espressopp ```

Improve dump_xtc_* test

3

This reverts commit 792d3ada97e42f15480374a4c070c6b4d4b6937e. We need to find a better way to compare the output than just binary compares.

Boost bind

4

``` [ 24%] Building CXX object src/CMakeFiles/_espressopp.dir/esutil/PyLogger.cpp.o In file included from /usr/include/boost/bind.hpp:30, from /usr/include/boost/python/exception_translator.hpp:10, from /usr/include/boost/python.hpp:28, from /home/espressopp/espressopp/src/include/python.hpp:43, from /home/espressopp/espressopp/src/esutil/Grid.cpp:23: /usr/include/boost/bind.hpp:36:1: note: ‘#pragma message: The practice of declaring the Bind...

Make sure examples actually work

3

Some of them haven't been touched for years. We might at least want to byte compile them.

Merge virtual_particles branch

9

As @govarguz pointed out in issue #26 , there are still some branches left to merge. Sebastian's old virtual particles branch might contain something useful.

https://github.com/spack/spack/pull/23264#issuecomment-827091824