lammps/lib/kim

This directory contains build settings for the KIM API library which is
required to use the KIM package and its kim_init, kim_interactions, kim_query,
and pair_kim commands 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 KIM commands.

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.

Use of the kim_query command 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 -j2
$ make -j2 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 EAM_ErcolessiAdams_1994_Al__MO_324507536345_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.