forked from lijiext/lammps
2b288bc9e0 | ||
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.. | ||
.gitignore | ||
Install.py | ||
Makefile.lammps.runtime | ||
Makefile.lammps.runtime.macosx | ||
Makefile.lammps.shared | ||
Makefile.lammps.static | ||
README |
README
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)