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update SWIG support readme

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Axel Kohlmeyer
2020-10-20 11:42:23 -04:00
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SWIG generated script library wrappers SWIG generated script library wrappers
The "swig" tool and library ( http://swig.org ) The SWIG tool ( http://swig.org ) offers an automated way to incorporate
offers an automated way to incorporate compiled code compiled code modules into scripting languages. It processes the
modules into scripting languages. It processes the function prototypes in C and generates wrappers for a wide variety of
function prototypes in C and generates wrappers for scripting languages from it.
a variety of scripting languages from it.
We provide here an "interface file", "lammps.i" file We provide here an "interface file", "lammps.i", that has the content of
that has the content of the "library.h" adapted so SWIG the "library.h" adapted so SWIG can process it. Please note that not
can process it. Please note that not all kinds of C all kinds of C functions can be automatically translated, so you would
interfaces can be automatically translated, so you have to add custom functions to be able to utilize them. A few functions
would have to add custom functions. In the case of for converting pointers and accessing arrays are predefined. We provide
python, a ctypes based lammps module already exists, the files here on an "as is" basis to help people getting started, but
that is object oriented while SWIG will generate a 1:1 not as a fully tested and supported feature of the distribution. Any
contributions to complete this are, of course, welcome.
In the case of Python, a fully supported and complete wrapper already
exists in the "lammps" module in the "python" folder. This wrapper is
based on Ctypes and is object oriented while SWIG will generate a 1:1
translation of the functions in the interface file. translation of the functions in the interface file.
When using CMake, the build steps for building a wrapper When using the CMake build system, steps for building wrapper modules
module are integrated for the languages: java, lua, are integrated for the languages: Java, Lua, Perl5, Python, Ruby, and
perl5, python, ruby, and tcl. These require that the Tcl and can be selected during the configuration step. These require
LAMMPS library is build as a shared library and all that the LAMMPS library is build as a shared library and all necessary
necessary development headers and libraries are present. development headers and libraries of the selected script languages are
present. To demonstrate the resulting wrappers, several example shell
scripts (run_*_example.sh) are provided that contain commands to create
an example script file and to demonstrate the use of the wrapped library
functions in the respective programming language.
Manual building allows a little more flexibility. E.g. For details on how to build and adjust wrappers for individual
with Tcl one can build and use a dynamically loaded object with: languages please refer to the SWIG documentation at http://swig.org/doc.html
$ swig -tcl -module tcllammps lammps.i This functionality has been tested on Fedora 32 with SWIG 4.0.1.
$ gcc -fPIC -shared $(pkgconfig --cflags tcl) -o tcllammps.so lammps_wrap.c -L ../src/ -llammps
$ tclsh
% load ./tcllammps.so
% set lmp [lammps_open_no_mpi 0 NULL NULL]
% puts "LAMMPS version: [lammps_version $lmp]
% lammps_close $lmp
Equivalently with Python the manual steps are:
$ swig -python -module pylammps lammps.i
$ gcc -fPIC -shared $(pkgconfig --cflags python) -o _pylammps.so lammps_wrap.c -L ../src/ -llammps
$ python
% from pylammps import *
You may need to set or extend the LD_LIBRARY_PATH environment
variable to include the folder where the LAMMPS shared library
file is located, if it is not found automatically.
For details on how to build the wrappers for other
individual http://swig.org/doc.html