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).
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.

As of KIM API version 2, the KIM package also provides a LAMMPS command
to perform queries through the OpenKIM web API. This feature requires
that the CURL library (libcurl) development package and its configuration
query tool, curl-config, are installed. The provided Makefile.lammps
is set up to automatically detect this.

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

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 "${PWD}/installed-kim-api-X-X.Y.Z" > ./kim-prefix.txt

2. Download and unpack the kim-api

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

# configure the kim-api
$ cd kim-api-X.Y.Z
$ mkdir build && cd build
$ cmake ..  -DCMAKE_INSTALL_PREFIX=${PWD}/../../installed-kim-api-X.Y.Z

3. Build and install the kim-api and model

$ make
$ make install

4. Remove source and build files

$ cd ../../
$ rm -rf kim-api-X.Y.Z
$ rm -rf kim-api-X.Y.Z.txz

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

$ source ${PWD}/kim-api-X.Y.Z/bin/kim-api-activate
$ kim-api-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 file in this directory is required to
allow the LAMMPS build to find the necessary KIM files.  You should
not normally need to edit these files.