lammps/lib/plumed/README

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This directory contains links to the PLUMED library which is required
to use the PLUMED package and its fix plumed command in a
LAMMPS input script. PLUMED should only be downloaded into this directory if
you wish to statically link the library. If you wish to link PLUMED as
a dynamic library (as we recommend) then you can compile and build PLUMED
separately to LAMMPS. To use PLUMED in conjuction with LAMMPS you then simply
need to ensure that the PLUMED library is in your path at runtime.
More info about the PLUMED library can be found at http://www.plumed.org.
You can type "make lib-plumed" from the src directory to see help on
how to download, build and statically link PLUMED via make commands, or you can
do the same thing by typing "python Install.py" from within this
directory. Alternatively you can download and build PLUMED manually by following the instructions
below.
-----------------
Instructions:
1. Download PLUMED either as a tarball from
http://www.plumed.org/get-it
or clone it using git clone https://github.com/plumed/plumed2.git.
If you download the tarball
unpack it in unpack it in this /lib/plumed directory.
Similarly if you clone it clone it to the /lib/plumed
directory.
2. Compile PLUMED from within its home directory. In the
simplest cases this be done by issuing the commands
% ./configure
% make
More detailed instructions can be found at
http://plumed.github.io/doc-master/user-doc/html/_installation.html
3. There is no need to install PLUMED if you only wish
to use it from LAMMPS. You should thus only run
make install if you want to use PLUMED as a stand-alone
code or from some other code. To install it you can
run the following commands:
a) install under the default /usr/local
% sudo make install
b) install under a user-writeable location by first
changing the PREFIX variable when running the
configure command file, then
% make install
-----------------
When these steps are complete you can build LAMMPS
with the PLUMED package installed:
% cd lammps/src
% make yes-user-plumed
% make mpi (or whatever target you wish)