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add kimplugin source and CMake based build support

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This commit is contained in:
Axel Kohlmeyer
2022-04-07 11:51:52 -04:00
parent b4cc158981
commit 9b969648d5
5 changed files with 276 additions and 5 deletions
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21
doc/src/Developer_plugins.rst
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@ -262,3 +262,24 @@ A plugin may be registered under an existing style name. In that case
the plugin will override the existing code. This can be used to modify
the behavior of existing styles or to debug new versions of them without
having to re-compile or re-install all of LAMMPS.
Compiling plugins
^^^^^^^^^^^^^^^^^
Plugins need to be compiled with the same compilers and libraries
(e.g. MPI) and compilation settings (MPI on/off, OpenMP, integer sizes)
as the LAMMPS executable and library. Otherwise the plugin will likely
not load due to mismatches in the function signatures (LAMMPS is C++ so
scope, type, and number of arguments are encoded into the symbol names
and thus differences in them will lead to failed plugin load commands.
Compilation of the plugin can be done managed via both, CMake or
traditional GNU makefiles. Some examples that can be used as a template
are in the ``examples/plugins`` folder. The CMake script code has some
small adjustments to allow building he plugins for running unit tests
with them. Another example that converts the KIM package into a plugin
can be found in the ``examples/kim/plugin`` folder. No changes to the
sources of the KIM package themselves are needed; only the plugin
interface and loader code needs to be added. This example only supports
building with CMake, but is probably a more typical example. To compile
you need to run CMake with -DLAMMPS_SOURCE_DIR=<path/to/lammps/src/folder>.
Other configuration setting are identical to those for compiling LAMMPS.