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# The contents of this file are subject to the terms of the Common Development
# and Distribution License Version 1.0 (the "License").
# You can obtain a copy of the license at
# See the License for the
# specific language governing permissions and limitations under the License.
# When distributing Covered Code, include this CDDL HEADER in each file and
# include the License file in a prominent location with the name LICENSE.CDDL.
# If applicable, add the following below this CDDL HEADER, with the fields
# enclosed by brackets "[]" replaced with your own identifying information:
# Portions Copyright (c) [yyyy] [name of copyright owner]. All rights reserved.
# Copyright (c) 2013--2018, Regents of the University of Minnesota.
# All rights reserved.
# Contributors:
# Ryan S. Elliott
# Ellad B. Tadmor
# Release: This file is part of the kim-api.git repository.
=== kim-api-v1.9.7 ============== 07Jul2018 ====================================
* Check for errors from mkdir() in KIM_API_DIRS.cpp (id'ed by coverity scan).
* Fix support for required-compute of forces in utility-forces-numer-deriv.
* Fix identifiers in bash-completions.
* Added --log option to CM 'list' command.
* Use fixed seed for random number generator in utility-forces-numer-deriv.
=== kim-api-v1.9.6 ============== 26Jun2018 ====================================
* Updated INSTALL file
* Added 'install OpenKIM_with_history' and 'install --force' options to the
collections-management utility
* Collections-management utility now cleanly handles an unaccessible
* Fixed bugs and made improvements to build system
=== kim-api-v1.9.5 ============== 12May2018 ====================================
* Update build system to support parallel builds (make -j).
* Fixed bug in collections-management for "install OpenKIM" option.
* Update INSTALL file
=== kim-api-v1.9.4 ============== 09Apr2018 ====================================
* Added '--interactive' option to collections-management utility.
* Added Travis-CI support through GitHub.
* Fixed bugs in collections-management utility.
* Fixed bugs in build system.
=== kim-api-v1.9.3 ============== 10Feb2018 ====================================
* Major additions to options supported by the kim-api-v1-collections-management
utility. Added options include:
- list --with-version
- install CWD
- install environment
- reinstall
- remove-all
Additionally, items can now be installed from a source directory on the local
file system. Also, multiple items can be listed on a single command line.
* Added a kim-api-v1-activate/deactivate utilities (available when installed to
non-standard locations). These add/remove to PATH and setup the bash
* Added bash completions for user utilities
* Added support for the sysconfdir variable to the build system
* Updated utilities to more closely follow specifications.
* Model/Driver 'make install-*' now respect the DESTDIR environment variable.
* Added support for Model/Driver install to the environment collection.
* Add tracking of Parameterized Model parameter file file-names within the
generated model shared library.
* Rename vc_* examples to utility_* to avoid confusion with new
Verification Checks.
* Various minor typo and bug fixes.
=== kim-api-v1.9.2 ============== 08Oct2017 ====================================
* Update scripts to use xz compressed tarballs (txz) instead of gz (tgz). This
is for compatibility with the recent removal of tgz support on
=== kim-api-v1.9.1 ============== 27Sep2017 ====================================
* Adjustment to build config flags to make cross-language compiling a bit more
* Fix subtle Fortran implementation bug associated with non-short-circuit
conditional fortran behavior
* Remove 'make install-set-default-to-v1' target and update INSTALL instructions
No longer have kim-api-build-config, etc. Now they explicitly include the
major version number. For example, kim-api-v1-build-config
* Make some shell code more portable
* Fixed some other installation details
* Fixed missing semi-colon in makefile
=== kim-api-v1.9.0 ============== 09Sep2017 ====================================
* Added collections-management user utility to manage build and install
of OpenKIM Models and Model Drivers
* Added support for "Simulator Models"
* Dramatically simplify build system by removing supported scenarios.
+ Removed static-link build option
+ Removed "in-place" build scenario
+ Added support and use of the libexec directory to distinguish between
user executable utilities and program executable utilities
* Incorporate fix to configure script contributed by Christoph Junghans
* Fix minor bugs in KIM_API_DIRS
=== kim-api-v1.8.2 ============== 17Apr2017 ====================================
* Fixed issues reaised by Tobias Brink (this==NULL; and `find` portability)
=== kim-api-v1.8.1 ============== 28Mar2017 ====================================
* Added additional deprecations in prep. for kim-api-v2.0.0
* Fixed other minor bugs in create_package script and build-config.cpp
* Fixed bug in Makefile.ParameterizedModel
* Fixed formatting error in Makefiles created by build-config utility
* Fixed bug in ex_model_Ar_P_MLJ_CLUSTER_C example model
=== kim-api-v1.8.0 ============== 17Jan2017 ====================================
* Deprecated significatant features and methods in prep. for kim-api-v2.0.0
* Updated `build-config' utility with more flexible options
* Removed `KIM_LINK = dynamic-link' option of build system
* Modified/Fixed/Improved the configuration and build system
* Added `collections-info' utility for querying environment variables,
user configuration files, and lists of models and model drivers in the
=== kim-api-v1.7.3 ============== 02Jun2016 ====================================
* Added a `configure' script for setting up Makefile.KIM_Config
* Added support for environment-variable-collection
* Added support for user_config_file_dir_name setting
* Documentation update/improvements
* Minor improvements to error messages
* Added `make add-OpenKIM' feature
* Added `make help' feature
* Added release dates to NEWS file
* Bug fixs
=== kim-api-v1.7.2 ============== 25Jun2015 ====================================
* Updated copyright years in files
* Rewrite of INSTALL file to provide a significantly improved description and
instructions for build and installation of the KIM API
* Fix error checking bug in ex_test_Ar_multiple_models Test
* Improve the build and install process to better follow standard conventions
for library soname values.
* Increased the maximum number of species supported by the example Tests to 200
* Fixed bug in example Tests related to maximum number of supported species
* Updated 'make clean' so that it removes all old library files in the source
* Fixed default make target for Parameterized Models
* Fixed a bug in the installation process associated with the use of DESTDIR
* Fixed a regular expression error in the build system
* Fixed memory leak in internal KIM API code
* Added sanity check to make sure that the 'xxd' utility is available
* vc_forces_numer_deriv now outputs configuration energy
* Documentation updates
=== kim-api-v1.7.1 ============== 02Dec2014 ====================================
* Bug fix for build of parameterized Models
* Minor documentation update
=== kim-api-v1.7.0 ============== 21Nov2014 ====================================
* Use 'xxd' utility for encapsulation of KIM descriptor files and param. files
* Added LINKSOPATH variable to build system for advanced system install options
* Added KIM_API_get_kim_str_len() routine
* Fix inconsistencies in ex_test_Ar_multiple_models
* remove build system dependency on 'ed' program
* Update 'make add-*' mechanism to use permanent url's for items
* Fix bugs and minor improvements to build system
* Minor improvements to error messages
* Updates to documentation
=== kim-api-v1.6.3 ============== 18Aug2014 ====================================
* Fixed install to recognize := and = in Makefiles
* Removed use of non-standard strtok_r()
* Fixes to ex_model_Cu_PF_Johnson & model_El_PF_Template.c
* Fixes build system
=== kim-api-v1.6.2 ============== 11Aug2014 ====================================
* Correct KIM_API_Versions in template ".kim" files
* Update make clean target for Model Drivers and Models
* All template ".kim" files now generated from "legos" in git repo
=== kim-api-v1.6.1 ============== 08Aug2014 ====================================
* Updates to Model Driver and Model template files (in docs/templates/)
* Changed the internal mechanism for handling parameter files to remove a
security hole associated with the use of tmpnam().
* Revise kim.log entries to be more informative and clear
* Bug fixes in build system, examples, and build system
* Other small documentation and code improvements
=== kim-api-v1.6.0 ============== 28Jul2014 ====================================
* Documentation updates.
* Model Driver Template and training model examples are now generated from a
single consistent "lego" file. Training examples are not included in
official release tarballs.
* Add SemVer version routines to the KIM API. ".kim" files now require a
KIM_API_Version line to indicate the Model/Simulator compatibility.
* Change terminology from "Particle Types" to "Particle Species" for clarity
and uniformity with the rest of the OpenKIM project. (See
KIM_API_get_model_species(), and similar routines.)
* Changed KIM API routines that output strings. This avoids output of arrays
of strings, which are unnatural in C/C++ and allows for more natural handling
of string arguments in Fortran. (See: KIM_API_get_NBC_method(),
KIM_API_get_params(), and similar routines.)
* Simulators and OpenKIM Tests now should use the "kim-api-build-config"
utility in order to obtain appropriate compiler and linker flags for building
against the KIM API.
* Changed CCFLAGS to more standard CFLAGS Make variable.
* Build system now provides ability to download Model Drivers and Models
directly from
* Change package name from "openkim-api" to "kim-api".
* Rename this file (CHANGELOG) to NEWS, to better follow convention.
* A complete restructuring of the package directory layout has been performed
in order to conform to more standard practices and to better reflect the
intended behavior and use of the package components.
* Model Drivers now specify the name of their ".kim" file template in their
Makefile. The conventional name for these files now ends in ".kim.tpl".
* Model ".kim" file name is now specified in the Makefile and can be anything
the developer desires.
* Remove deprecated KIM_API_init() routine.
* Remove deprecated Fortran Cray pointer support.
=== openkim-api-v1.5.0 ========== 16Jul2014 ====================================
* Documentation updates, including an extensive discussion of the installation
process in INSTALL.
* Update examples to use KIM_API_file_init() and name their ".kim" file
"" in accordance with the new convention of the
processing pipeline.
* Deprecate KIM_API_init() and add KIM_API_file_init() to replace it as the
primary Tests should initialize the KIM API and specify their KIM
descriptor files.
* Portability fixes for the make system
* Move away from naming various files based on the item (Model Driver, Model,
Test) name. Instead establish standard names for each item type.
* Added Makefile.Version to provided the make system with version information
and set policy (based on SemVer 2.0.0) for how, when, and why to update the
* Significant updates to the make system. Primarily associated with
installation of the KIM API to a system-wide location, and its use once
installed there.
=== openkim-api-v1.4.1 ========== 19May2014 ====================================
* Added additional compiler flags to support differences between GCC and INTEL
* Fixed examples that used set_data when they should have used set_method.
* Added LDLIBS flag in split functionality of LDFLAGS variable more
appropriately. This is more inline with standard Makefile practice.
* Now 32Bit and 64Bit settings add -m32 and -m64 compiler flags automatically
* Added KIM_MAKE_VERBOSITY setting to Make system
* Updates to README, INSTALL, and Templates
* Make system improvements and fixes
* Added checks for known buggy compilers
* Updated and corrected documentation
=== openkim-api-v1.4.0 ========== 26Feb2014 ====================================
* Improvements to robustness and efficiency of MAKE_SYSTEM
* Updated copyright years in files
* Updated documentation to reflect new Fortran 2003 bindings
* Converted DOCS/TEMPLATES/ to Fortran 2003 bindings
* Made significant improvement to neighbor list handling in example Tests
* Made some minor improvements to example Models and Model Drivers
* Converted example Models, Model Drivers, and Tests to Fortran 2003 bindings
* DEPRECATED all Cray pointer bindings and associated code
* Added Fortran 2003 bindings
=== openkim-api-v1.3.1 ========== 20Jan2014 ====================================
* Fixes to make system to avoid undefined `directoryPATH()' symbol with INTEL
compilers and CYGWIN systems
* Added notes to INSTALL for gun 4.4 and CYGWIN systems
* Fixes to make system to work with gnu make 3.81 (avoid segmentation faults)
=== openkim-api-v1.3.0 ========== 10Dec2013 ====================================
* change KIM_KEY_STRING_LENGTH to 128 (despite git log that says 257)
* Split .kim files and parameter files into chunks to stay under C++ supported
string literal length.
* Fix for dynamic-link compile option
* Some minor code fixes/updates and documentation updates
* Updates to `make install'
* Fix bug in FCC example Tests
* Fix/Update Templates
* Fix a bug in Makefile.Test
* Added KIM_API_get_rank and KIM_API_get_rank_by_index functions
=== openkim-api-v1.2.3 ========== 15Nov2013 ====================================
* Fixed bugs in the KIM_API_string_init() function (discovered by Daniel Schopf)
* Fixed a memory leak in the api (patch provided by Tobias Brink)
* Moved `include "KIM_API_DIRS.h"' from KIM_API.h to KIM_API.cpp. This ensures
that this header file does not need to be installed by the `make install'
* Changes to Makefiles to improve portability (of `make uninstall')
* Some minor changes to api code to remove compiler warnings from some compilers
=== openkim-api-v1.2.2 ========== 17Sep2013 ====================================
* Improved speed of make system when many Models/Tests (and Drivers) exist
* Improved an aspect of the api's error checking/reporting
=== openkim-api-v1.2.1 ========== 21Jul2013 ====================================
* Reverted to gnu make v3.81 from v3.82 to better represent actual needs.
=== openkim-api-v1.2.0 ========== 12Jul2013 ====================================
* Documentation updates.
* Various bug fixes.
* Added support for searching ${HOME}/.kim/ and ./ for Models and Model Drivers
when the package is installed via the `make install' command.
* Added install and uninstall targets to the Make system.
* Now the build system (in dynamic-load and dynamic-link modes) hides all
symbols in the Model Driver and Model libraries except for the model_init()
function and the Model's kim descriptor string. This means that there is no
need to worry about symbol clashes between Models, Model Drivers, or Tests.
* Implemented dynamic-load, dynamic-link, and static-link build options.
* Make system now provides only summary information on the build process. This
makes the progress easier to understand. To see the actual build commands
use `make -n'.
* Removed `integer*8' and changed `real' and `real*8' to `float' and `double'.
* Now use -g, -Wall, and -pedantic by default for all compilations.
* Changed model_init() function conventions to simplify the scheme. This also
resulted in the removal of the Model or Test name from the descriptor files.
* Added the openkim-api-descriptor-file-match utility.
* Completely rewrote and streamlined the openkim-api Make system
* Changed directory names from trailing `s' to trailing `S'.
* Updated example Tests and Models to use the new get/set method routines.
* Added `const' to api string parameters to avoid warnings in Models and Tests
* Added get/set method routines to properly transfer pointers to functions
or methods via the api.
* Added support to examples for NEIGH_RVEC_H.
* Added the NEIGH_RVEC_H NBC method.
* Added ex_free_cluster_CLUSTER_memory F90 Test which manages its own memory.
* Added ex_model_Cu_PF_Johnson C pair-functional model and template.
* Updates and bug fixes in example Models.
* Bug fixes for vc_forces_numer_deriv and added vc_config_ener_forces and
vc_forces_delta to the distribution.
=== openkim-api-v1.1.1 ========== 19Aug2012 ====================================
* Added run_forces_numer_deriv_for_all_models script that will run and
summarize the results of vc_forces_numer_deriv for all available Models.
* Added vc_forces_numer_deriv "verification check" that can be used with any
Model to check the consistency of its computed forces with a numerical
derivative based on the Model's energy.
* Fixed a bug in the MI_OPBC_* support for ex_model_Ne_P_fastLJ
* Fixed a bug in the make system that occurred when using static linking that
would cause some Models to be incorrectly identified as "unknown"
* ex_test_*_free_cluster and ex_test_*_free_cluster_stiff now support CLUSTER
NBC (which means they work with ALL NBC methods)
* Documentation updates
* Updated 32/64 bit switching in Fortran code for easier maintenance
* Moved library compile flags to end of command line to make sure all libraries
are correctly associated with the appropriate .so files
* Cleaned up ex_model_driver_P_* and ex_model_Ne_P_fastLJ to simplify memory
management and PARAM_* handling
=== openkim-api-v1.1.0 ========== 12Jul2012 ====================================
* Documentation updates
* Introduced the use of THIS_FILE_NAME in Fortran examples instead of __FILE__.
This allows for easily setting the value of THIS_FILE_NAME to something
appropriate (short) when the default preprocessor value of __FILE__ is longer
that 132 characters (the max line length for Fortran)
* Changed KIM standard time unit from `fs' to `ps' to be consistent with LAMMPS
`metal' unit system
KIM_COMPUTE_FALSE, respectively
* Removed KIM_API_MAX_NEIGHBORS; the api no longer puts any restriction on the
number of neighbors for an atom
* Updated api and examples to always `return' with an error code instead of
`exit' or `stop'. This allows the Test to handle errors and is a better
convention for error handling
configuration is identified at run time as unsupported
* Removed requirement for a trailing `/' in environment variables (such as
* Added make warning if `make' is invoked from a Model directory when static
linking is being used.
* Added `make examples-force' target
* `make examples' only copies files; it no longer also compiles everything
* Changed all call-back interfaces (model_init, model_reinit, model_compute,
model_destroy) to be consistent: integer functions (in Fortran speak). Also
updated examples and templates to conform to this new interface.
* Added get_model_partcl_typs() and get_test_partcl_type() service routines
Removed get_partcl_types() routine.
* Added ability of a Model/Model Driver to set its particle type codes at
* Added support for .kimignore files in MODELS, MODEL_DRIVERS, and TESTS
* Added `Temperature' to for "temperature dependent" Models
* New Model Driver interface supports reading from any number of files (not
* Support for 001-999 particle types in Model Drivers
* Use $(strip ) function to avoid difficult trailing space problem in make files
* Rearranged and simplify compiler settings files
* Changed CPPLIBFLAG to LINKLIBFLAG in Make files to better represent its use
* Many improvements to Make-system portability
* Carriage returns are now striped from kim and parameter files during Make
* Improvements to the vc_forces_numer_deriv verification check
* Bug fixes for KIM_API_init() matching
* Significant clean-up/rearrangement of core api code
=== openkim-api-v1.0.1 ========== 25Feb2012 ====================================
* Bug fix to ex_model_Ne_P_fastLJ
* Bug fix to ex_model_Al_PF_ErcolessiAdams (and associated template file)
* Documentation updates
=== openkim-api-v1.0.0 ========== 22Feb2012 ====================================
* Moved all examples to EXAMPLES directory and added `make examples' target.
* Renamed all example Model Drivers, Models, and Tests. Now have `ex_' prefix.
* Renamed nearly all API functions to improve readability and comprehension.
* Changed KIM_API_get_half_neigh and KIM_API_get_full_neigh to just
* Total re-work of unit handling for the API.
* Added KIM_API_model_info() function for Tests to use for discovering what a
Model supports.
* Added KIM_API_getm_* and KIM_API_setm_* routines to get/set multiple arguments
in one function call.
* Added KIM_API_sting_init() for use by Tests that generate their KIM descriptor
file "on-the-fly".
* Added process_dEdr and process_dE2dr2 approach for calculating general
properties. Currently automatic support for `virial', `particleVirial', and
`hessian' is available.
* Added "unsymmetric half neighbor lists" (numberContributingParticles).
* Added model/test buffers for use by Model and Test, respectively.
* Improvements in dynamic linking setup.
* Examples additions, improvements, and bug fixes.
* Bug fixes.
=== openkim-api-v0.2.0 ========== 15Sep2011 ====================================
* Updated documentation
* Added KIM_API_report_error() service function and updated all examples
and templates to use this function.
* Added KIMstatus.h which contains definitions of KIM status codes.
* Added KIM_API_status_msg() service routine to return a string describing a
given status code.
* Updated messages printed to kim.log file to be more informative.
* Model KIM descriptor files are now incorporated into the Model's binary
library file. This means that the file is no longer required at run time and
that the Model must be recompiled after changes to the descriptor file.
* Added Model Driver Templates
* Added two Model Drivers and four Models based on the Model Drivers
* Removed example model_Ar_P_MMorse in favor of the Morse Driver and its Models
* Added support for Model Drivers
* Bug fixes
=== openkim-api-v0.1.2 ========== 22Aug2011 ====================================
* Fixed a number of bugs in the examples related to running on 64bit machines
* Fixed a bug in kim_api_get_nbc_method_f() related to running on 64bit
=== openkim-api-v0.1.1 ========== 16Aug2011 ====================================
* Fixed memory handling bug associated with the service functions
* Fixed bug in test_**_free_cluster.F90
* Renamed `README.git' to `README_GIT' to avoid confusion with the
git convention that the extension `.git' refers to a bare repository
=== openkim-api-v0.1.0 ========== 08Aug2011 ====================================
* Added TEMPLATE files to help users create their own KIM Models.
* Added a number of example Models and Tests to help users understand how to
implement their own openkim-api compliant codes.
* Added support for ATOM/PARTICLE types
* Added support for Models to publish their parameters
* Added support for Models to define a `reinit' function for use when their
parameters are changed by a Test.
* Improved the Makefile system in general (although, more needs to be done)
* Added support for neighbor list and boundary conditions (NBC)
* Added support for dynamic linking
* Updated documentation
* Added documentation to the file which now describes in detail
the format and content of KIM descriptor files.
* Added README files to every directory. These files provide a short
(hopefully helpful) description of the contents of the directory)
=== openkim-api-v0.0.0 =========================================================
The initial release of the openkim-api package. This was first made available
to participants at the Inaugural Openkim Workshop held in San Diego, CA on
Feb. 26-27, 2011.