forked from lijiext/lammps
57 lines
2.2 KiB
Plaintext
57 lines
2.2 KiB
Plaintext
This directory contains links to the Voro++ library which is required
|
|
to use the VORONOI package and its compute voronoi/atom command in a
|
|
LAMMPS input script.
|
|
|
|
The Voro++ library is available at http://math.lbl.gov/voro++ and was
|
|
developed by Chris H. Rycroft while at UC Berkeley / Lawrence Berkeley
|
|
Laboratory.
|
|
|
|
You must perform the following steps yourself, or you can use the
|
|
install.py Python script to automate any or all steps of the process.
|
|
Type "python install.py" for instructions.
|
|
|
|
1. Download Voro++ at http://math.lbl.gov/voro++/download
|
|
either as a tarball or via SVN, and unpack the
|
|
tarball either in this /lib/voronoi directory
|
|
or somewhere else on your system.
|
|
|
|
2. compile Voro++ from within its home directory
|
|
% make
|
|
|
|
3. There is no need to install Voro++ if you only wish
|
|
to use it from LAMMPS. You can install it if you
|
|
wish to use it stand-alone or from other codes:
|
|
a) install under the default /usr/local
|
|
% sudo make install
|
|
b) install under a user-writeable location by first
|
|
changing the PREFIX variable in the config.mk file, then
|
|
% make install
|
|
|
|
4. Create two soft links in this dir (lib/voronoi)
|
|
to the Voro++ src directory is. E.g if you built Voro++ in this dir:
|
|
% ln -s voro++-0.4.6/src includelink
|
|
% ln -s voro++-0.4.6/src liblink
|
|
Note that these links could also be set to the include and lib
|
|
directories created by a Voro++ install, e.g.
|
|
% ln -s /usr/local/include includelink
|
|
% ln -s /usr/local/lib liblink
|
|
|
|
When these steps are complete you can build LAMMPS
|
|
with the VORONOI package installed:
|
|
|
|
% cd lammps/src
|
|
% make yes-voronoi
|
|
% make g++ (or whatever target you wish)
|
|
|
|
Note that if you download and unpack a new LAMMPS tarball,
|
|
the "includelink" and "liblink" files will be lost
|
|
and you will need to re-create them (step 4). If you
|
|
built Voro++ in this directory (as opposed to somewhere
|
|
else on your system) and did not install it somewhere
|
|
else, you will also need to repeat steps 1,2,3.
|
|
|
|
The Makefile.lammps file in this directory is there for compatibility
|
|
with the way other libraries under the lib dir are linked with by
|
|
LAMMPS. However, Voro++ requires no auxiliary files or
|
|
settings, so its variables are blank.
|