Some various doc updates for kim-api support (e95cf4e9) · Commits · 郑智淋 / lammps

cmake/Modules/FindKIM-API-V2.cmake

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		@@ -28,11 +28,6 @@
		# Ryan S. Elliott
		#

		#
		# Release: This file is part of the kim-api.git repository.
		#


		# - Find KIM-API-V2
		#
		# sets standard pkg_check_modules variables plus:

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		@@ -48,8 +48,8 @@ building LAMMPS.

		See the examples/kim dir for an input script that uses a KIM model (potential)
		for Lennard-Jones. Note, for this example input script, the example models
		shipped with with kim-api package must be installed. See the "Making
		LAMMPS"_Section_start.html#start_3 section and the ./lib/kim/README for details
		shipped with with kim-api package must be installed. See the "Build
		package"_Build_package.html section and the ./lib/kim/README for details
		on how to build LAMMSPS with the kim-api and how to install the example models.

		:line
		@@ -115,7 +115,7 @@ LAMMPS was built with that package. See the "Build
		package"_Build_package.html doc page for more info.

		This current version of pair_style kim is compatible with the
		kim-api package version 2.0.0-beta.2 and higher.
		kim-api package version 2.0.0 and higher.

		[Related commands:]

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		@@ -20,17 +20,17 @@ 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-vX.Y.Z" > ./kim-prefix.txt
		$ printf "${PWD}/installed-kim-api-vX-X.Y.Z" > ./kim-prefix.txt

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

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

		3. Build and install the kim-api and model

		@@ -40,13 +40,13 @@ $ make install
		4. Remove source and build files

		$ cd ../../
		$ rm -rf kim-api-vX.Y.Z
		$ rm -rf kim-api-vX.Y.Z.txz
		$ rm -rf kim-api-vX-X.Y.Z
		$ rm -rf kim-api-vX-X.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-vX-activate
		$ source ${PWD}/kim-api-vX-X.Y.Z/bin/kim-api-vX-activate
		$ kim-api-vX-collections-management install system Pair_Johnson_Fe__MO_857282754307_002

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		@@ -50,7 +50,7 @@
		------------------------------------------------------------------------- */

		/* ----------------------------------------------------------------------
		Designed for use with the kim-api-v2.0.0-beta.2 (and newer) package
		Designed for use with the kim-api-v2-2.0.0 (and newer) package
		------------------------------------------------------------------------- */

		#include <cstring>

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		------------------------------------------------------------------------- */

		/* ----------------------------------------------------------------------
		Designed for use with the kim-api-v2.0.0-beta.2 (and newer) package
		Designed for use with the kim-api-v2-2.0.0 (and newer) package
		------------------------------------------------------------------------- */

		#ifdef PAIR_CLASS