lammps/lib/kim

This directory contains build settings for the KIM API library which
is required to use the KIM package and its pair_style kim command in a
LAMMPS input script.

Information about the KIM project can be found at https://openkim.org.
The KIM project is lead by Ellad Tadmor and Ryan Elliott (U Minn) and
James Sethna (Cornell U).  Ryan Elliott is the main developer for the
KIM API and he also maintains the code that implements the pair_style
kim command.

You can type "make lib-kim" from the src directory to see help on
how to download and build this library via make commands, or you can
do the same thing by typing "python Install.py" from within this
directory, or you can do it manually by following the instructions
below.

-----------------

Instructions:

1. Configure lammps for use with the kim-api library installed in this directory

# replace X.Y.Z as appropriate here and below
$ printf "KIM_INSTALL_DIR=${PWD}/installed-kim-api-vX.Y.Z\n" > ./Makefile.KIM_DIR

2. Download and unpack the kim-api

$ wget http://s3.openkim.org/kim-api/kim-api-vX.Y.Z.txz
$ tar zxvf kim-api-vX.Y.Z.txz

# configure the kim-api
$ cd kim-api-vX.Y.Z
$ ./configure --prefix=${PWD}/../installed-kim-api-vX.Y.Z

3. Build and install the kim-api and model

$ make
$ make install
$ cd ..

4. Remove source and build files

$ rm -rf kim-api-vX.Y.Z
$ rm -rf kim-api-vX.Y.Z.txz

5. To add items do the following (replace the kim item name with your
   desired value)

$ source ${PWD}/kim-api-vX.Y.Z/bin/kim-api-v1-activate
$ kim-api-v1-collections-management install system Pair_Johnson_Fe__MO_857282754307_002


-----------------

When these steps are complete you can build LAMMPS with the KIM
package installed:

$ cd lammpos/src
$ make yes-kim
$ make g++ (or whatever target you wish)

Note that the Makefile.lammps and Makefile.KIM_DIR files in this directory
are required to allow the LAMMPS build to find the necessary KIM files.
You should not normally need to edit these files.