4 # The contents of this file are subject to the terms of the Common Development
5 # and Distribution License Version 1.0 (the "License").
7 # You can obtain a copy of the license at
8 # http://www.opensource.org/licenses/CDDL-1.0. See the License for the
9 # specific language governing permissions and limitations under the License.
11 # When distributing Covered Code, include this CDDL HEADER in each file and
12 # include the License file in a prominent location with the name LICENSE.CDDL.
13 # If applicable, add the following below this CDDL HEADER, with the fields
14 # enclosed by brackets "[]" replaced with your own identifying information:
16 # Portions Copyright (c) [yyyy] [name of copyright owner]. All rights reserved.
22 # Copyright (c) 2013--2020, Regents of the University of Minnesota.
23 # All rights reserved.
31 # Release: This file is part of the kim-api-2.2.1 package.
35 === kim-api-2.2.1 =============== 13Dec2020 ====================================
37 * replace usage of localtime() with more secure localtime_r()
39 * Enable Github code scanning
41 * Refactor CI to move codecov support to centos docker CI and speedup macOS CI
43 * Fix build support for coverage
45 * Improvements and fixes in collections management
47 * Use CMake CACHE variables so kim items can override package settings
49 * Added discussion of standalone portable model CMakeLists.txt files to docs
51 * Eliminate a compiler warning
53 * Updates to support new version of fprettyify
55 * Refactor libkim-api.pc file for more standard support for relocatable
58 * Update travis-ci badge to use .com url
60 * Implement more reliable method for bash scripts to find ORIGIN
62 * Fix bugs in handling of -DKIM_API_SYSTEM_*_DIR=":/dir/..." build options; Add
63 CI testing for usage of these cases.
65 * Correct release date for 2.2.0 in this file (Dec -> Nov)
68 === kim-api-2.2.0 =============== 18Nov2020 ====================================
70 * The kim-api now supports Windows. Significant additions have been made to
71 the code and CMakeLists.txt files to support building kim-api and items on
72 Windows via Cygwin and MinGW; Build on Windows requires C++17.
73 (Thanks to Alex Stukowski)
75 * kim-api is now "relocatable" after install. When installed to a non-standard
76 PREFIX (with the CMAKE_INSTALL_PREFIX CMake option) the entire install tree
77 may be moved, after install, to a new location in the file system and
78 everything should still work. This uses the RPATH, ${ORIGIN}, and similar
79 mechanisms and is functioning on Linux, macOS, and Windows. (This is tested
82 * Added 'portable-model' utility which prints out an edn dictionary containing
83 information about the features and properties of a portable model. This
84 includes the list of supported compute arguments and callbacks, the
85 parameters that the model makes available at runtime, etc. The utility can
86 be found in the LIBEXEC install directory.
88 * Added Push/PopDefaultPrintFunction to KIM::Log interface to support Simulator
89 specific logging behavior such as the need for MPI communication to the head
90 node for I/O operations
92 * Portable Model parameter files are now guaranteed to all be found in a single
93 subdirectory. This provides uniform handling of parameter files for both
94 Portable Models and Simulator Models. New GetParameterFileDirectoryName()
95 and GetParameterFileBasename() routines have been added and
96 GetParameterFileName() has been deprecated in the KIM::ModelDriverCreate
97 interface. A new GetParameterFileBaseName() routine has been added and
98 GetParameterFileName() has been deprecated in the KIM::SimulatorModel
101 * Update documentation to point to new https://matsci.org discourse OpenKIM
104 * Switch to minimum version 3.10 for CMake
106 * Complete refactor of CMake build details to improve exported target support.
107 This required an update to how kim-api items define their CMakeLists.txt
108 files. This version remains backward compatible with item CMakeLists.txt
109 files from older versions, but support for these is deprecated and will be
112 * Added human readable CMake configuration summary log (also a detailed
113 version) which is printed at the end of the cmake configuration step
115 * Added new documentation page describing CMakeLists.txt files for the various
118 * Added native CMake implementation of xxd processing which allows the package
119 to be build on systems without the xxd executable
121 * The collections-management utility will now use curl if wget is not available
124 * Added a user-agent string to wget/curl commands so downloads and queries may
125 be identified as coming from the collections-management utility
127 * Improve debugging of collections-management behavior with new CM_VERBOSITY
128 environment variable and added better error messages
130 * Full refactoring of travis-ci, docker, and testing implementation
132 * Added support for openSUSE, ubuntu, centos, and debian to testing via docker
134 * Added ubuntu_cmake310 to explicitly test build with CMake version 3.10
136 * Added MinGW travis-ci testing (Thanks to Alex Stukowski)
138 * Added unique build identifier to default name for config and user collection
141 * Refactor and improve handling of deprecated identifiers in configuration file
143 * Check for and ignore empty kim standard metadata files
145 * Adopted the `fprettify` Fortran code formatter and reformat all Fortran code
146 to conform to the kim-api settings (now in .fprettify.rc). Added scripts to
147 support git-commit hook
149 * Refactor #includes to satisfy include-what-you-use linter
151 * Refactor initialization of pointers as best practice
153 * Fix a bug in C language binding for SimulatorModel Interface
155 * Fix a bug associated with the edn-cpp use of exceptions
157 * Fix issues identified by Coverity Scan
159 * Various fixes and improvements
161 * Various documentation updates
164 === kim-api-2.1.3 =============== 16Aug2019 ====================================
166 * Adjust kim_collections_module to work around gfortran <= 4.8 bug.
168 * Fix minor bug in collections-management.
170 * Improve backward compatibility support for ~/.kim-api/config file format.
172 * Fix to Fortran/C mapping of KIM_LENGTH_UNIT_BOHR.
174 * Fixes to Fortran documentation and cross-references.
176 * Added information/links to the top level README.md
179 === kim-api-2.1.2 =============== 29Jul2019 ====================================
181 * Fixup Fortran kim_collections_module interfaces to be consistent with c/c++.
183 * Fixup collections-management for portabability to dash.
185 * Improve item-wrapper.cpp.in for more standard compliant MD, MO, SM behavior.
187 * Improve zsh completion install behavior.
189 * Fixup Fortran c_long communication and overflow behavior.
191 * Add missing testing of interface in examples/simulators/collections-example.
193 * Improve example/simulators to remove warnings.
195 * Fix bug in KIM::SimulatorModel::Create().
198 === kim-api-2.1.1 =============== 24Jul2019 ====================================
200 * Refactor 'kim-api-collections-management list' code for performance.
202 * Update collections-management to use 'make -j2' for improved performance.
204 * Improve kim-api-collections-management handling of passwords for use with
205 sudo. Specifically, support reading of passwords with whitespace and other
208 * Add zsh support to activate/deactivate scripts & zsh completions.
210 * Fix c_long overflow (for i386 systems) bug in Fortran kim_collections_module.
212 * Rework 'kim-api-collections-management install xxx OpenKIM' behavior. Now
213 installs the latest official release archive found at
214 https://s3.openkim.org/archives/collection/. This also greatly reduces the
215 total build and install time.
217 * Redefine/refactor KIM::Collections behavior for finding item names.
218 Previously, a shared library file was found, opened, and checked for
219 validity. To significantly improve performance, now simply the existence of
220 the shared library file is used to identify available item names.
222 * Redefine/refactor collections-management and collections-info to remove
223 '--with-version' option.
225 * Fixup and improve Fortran example codes.
227 * Added reopology.org graphic of available binaries to README.md.
230 === kim-api-2.1.0 =============== 16Jul2019 ====================================
232 * Added new KIM::SimulatorModel interface providing programatic support to
233 simulators for packaging of parameter files, input commands, and metadata
234 necessary to run a simulator's native potentials.
236 * Added new KIM::Collections interface (and the supporting extensible
237 enumerations KIM::Collection and KIM::CollectionItemTypes) providing
238 programatic access to the KIM API Collections and its configuration settings.
239 (This included a refactor and removal of old_KIM_API_DIRS.*.)
241 * Convert from old 'models' to 'portable-models' nomenclature for KIM API
242 collections, including environment variables, configuration file, etc. (For
243 backward compatibility, the old configuration file format is still accepted.)
245 * Added support for Metadata files to (internal) KIM::SharedLibrary and
246 programatic access to these files from the new KIM::Collections interface.
248 * Automatically add standard openkim.org metadata files (kimspec.edn,
249 kimprovenance.edn, and kimcite-*.bib) to an item's shared library if they
252 * Significant documentation updates to describe the new interfaces as well as
253 changing to the the Portable Model (PM) and Simulator Model (SM) terminology.
255 * Added explicit documentation of Fortran interfaces for routines called by the
256 KIM API (ModelCreate, ModelDestroy, GetNeighborList, etc.).
258 * Added mention of "Toy Models" to documentation.
260 * Added data-type error checking for Portable Model parameter get/set routines;
261 Thanks to Daniel Schopf.
263 * Bug fixes and improvements to kim-api-collections-management script
265 * Added support for Include-What-You-Use (IWYU).
267 * Added (internal) copy of edn-cpp parser for use with SMs.
269 * Updated existing examples as necessary and added SM example.
271 * Added new "unit-test" examples of simulators using the Collections and SM
274 * Improvement to pkgconfig support; Thanks to Christoph Junghans.
276 * Added new tests to CI, based on INSTALL file.
278 * Updates create-package script and added run-cmds-from-install script.
280 * Added .clang-format-hook-ignore file and mechanism (specifically for edn-cpp).
282 * Updates to better support binary installation on various systems.
284 * Added CDDL headers to files that did not have them.
287 === kim-api-2.0.2 =============== 28Mar2019 ====================================
289 * Transition from 'kim-api-v2' naming to 'kim-api' for better alignment with
290 open source conventions
292 * Added a simulator model example
294 * Refactored support for simulator models: separated from models in collections.
295 Updated collections-management utility appropriately
297 * Updated calls to scanf() for better security
299 * Refactored old_KIM_API_DIRS.cpp to remove calls to 'exit()'
301 * Added build options to set system collection directories
303 * Added support for colon-separated list of directories for user and system
306 * Added '--version' flag to utilities
308 * Update bash completion to work with old and new bash
310 * Improve robustness of creat-package script
312 * Updated badges to point to 'devel' branch & create-package to change to
313 'master' branch for release commit
315 * Added coverity & codecov badges to README.md
317 * Added vX.Y.Z-git tags to git repo and updated create-package script
319 * Added NEWS file to Doxygen documentation & updated doxygen settings
321 * Improved version build metadata string using "git describe"
323 * Updated link flags for codecov
326 === kim-api-v2-2.0.1 ============ 27Feb2019 ====================================
328 * Fix bug in KIM::SemVer::ParseSemVer()
330 * Various minor fixes to address issues identified by Coverity Scan
332 * Fix version string in libkim-api-v2.pc to conform to RPM schema
334 * Added advanced CMake options for compilers used to build items after install
336 * Added item install prefix CMake variables to cache; helps with packaging
338 * Remove dead code in top level CMakeLists.txt
341 === kim-api-v2-2.0.0 ============ 06Feb2019 ====================================
343 * Update main documentation.
345 * Added function level documentation with cross-references and input/output
346 argument descriptions.
348 * Added Known() member function to extensible enumerations.
350 * Extensible enumeration default constructors now create uninitialized objects.
352 * Rename C++ *.String() routines to *.ToString.
354 * Added 'recursive' to all Fortran routines (for better thread safety).
356 * Added support files for readthedocs.
358 * Additions and fixes for collections-management utility.
360 * Travis CI configuration updates.
362 * Avoid some compiler warnings from clang.
364 * Various CMake fixes/adjustments.
366 * Various bug fixes in api code.
369 === kim-api-v2-2.0.0-beta.3 ===== 07Dec2018 ====================================
371 * Updated and added examples to work with and demonstrate api changes/additions
373 * Implemented new KIM::Model::IsRoutinePresent interface to facilitate
374 backward compatibility
376 * Updated SpeciesName entries for recently renamed periodic table elements
378 * Added WriteParameterizedModel Routine and assoc. code
380 * Added Extension Routine to allow for non-standard extensions
382 * Added Push/Pop Default Verbosity to KIM::Log
384 * Changed Release default LogVerbosity to INFORMATION
386 * Added ctest test for items to check that shared libraries can be opened
388 * Improvements to Collections-Management behavior
390 * Removed unnecessary header files
392 * Updated travis.ci configuration
394 * Refactored some backend implementation to improve maintainability, including
395 significant new KIM_SharedLibrarySchema interface
397 * Improvements to CMake build system
399 * Updated create-package script
401 * Updated documentation
404 === kim-api-v2.0.0-beta.2 ======= 28Oct2018 ====================================
406 * CMake build and test replaces custom Makefiles; added travis, gitlab CI
407 A big thank you to Richard Berger and Christoph Junghans for their major
408 contribution in getting the KIM API package converted to CMake.
410 * Using standard pkg-config setup instead of custom kim-api-v2-build-config
412 * Major restructuring of the Fortran bindings.
414 * Make ModelRefresh and ModelComputeArgumentsDestroy functions optional
416 * Add Model routine and callback prototypes in KIM_Functions header
418 * Add a required unique name field for parameters.
420 * Refactoring of neighbor list hints. The half-list hint had a fatal flaw
421 which required its removal.
423 * Significant refactoring of the logging macros in C and C++. Complete removal
424 of all preprocessing for Fortran.
426 * Redesign of release and packaging script and process.
428 * Added a couple of new models that illustrate various features of the api.
430 * Removed v1 to v2 porting guide.
432 * "Summary of Differences Between kim-api-v1 and kim-api-v2" docs page now
433 contains tables with a complete listing of all kim-api identifiers in all
434 languages and their mappings between one-another.
436 * Complete update of documentation. Rework and correct definition of
437 partialVirial and partialParticleVirial.
439 * Added emacs cc-mode settings
441 * Added clang-format settings, scripts, and git-hooks for C/C++
443 * Complete review of C++, C, and Fortran bindings for consistency
445 * Many other small and not-so-small changes.
448 === kim-api-v2.0.0-beta.1 ======= 07Jul2018 ====================================
450 * Fix memory leak and uninitialized variables id'ed by coverity scan.
452 * Update docs and porting guide for neighbor list hints changes.
454 * Implement neighbor list hints (paddingNeighbor & halfList); update examples.
456 * Add SetArgumentPointer(xxx * const ptr) to C++ bindings for consistency.
458 * Add C++ LennardJones_Ar stand-alone model example.
460 * Fix compatibility checking code in example simulators.
462 * Update LennardJones612 example to use 1/2 list short-circuit mechanism.
464 * Fix collections-info to set log verbosity to debug.
466 * Use NULL consistently to initialize pointers in implemenation code.
469 === kim-api-v1.9.7 ============== 07Jul2018 ====================================
471 * Check for errors from mkdir() in KIM_API_DIRS.cpp (id'ed by coverity scan).
473 * Fix support for required-compute of forces in utility-forces-numer-deriv.
475 * Fix identifiers in bash-completions.
477 * Added --log option to CM 'list' command.
479 * Use fixed seed for random number generator in utility-forces-numer-deriv.
482 === kim-api-v2.0.0-beta.0 ======= 26Jun2018 ====================================
484 * Added a 'Guide for porting content from KIM API v1 to v2' to documentation
486 * Documentation updates and improvements
488 * Implemented extensive error checking and logging within the API
490 * Separated Model object into ComputeArguments and Model
492 * Many refinements and corrections to the new API
495 === kim-api-v1.9.6 ============== 26Jun2018 ====================================
497 * Updated INSTALL file
499 * Added 'install OpenKIM_with_history' and 'install --force' options to the
500 collections-management utility
502 * Collections-management utility now cleanly handles an unaccessible openkim.org
504 * Fixed bugs and made improvements to build system
507 === kim-api-v1.9.5 ============== 12May2018 ====================================
509 * Update build system to support parallel builds (make -j).
511 * Fixed bug in collections-management for "install OpenKIM" option.
513 * Update INSTALL file
516 === kim-api-v1.9.4 ============== 09Apr2018 ====================================
518 * Added '--interactive' option to collections-management utility.
520 * Added Travis-CI support through GitHub.
522 * Fixed bugs in collections-management utility.
524 * Fixed bugs in build system.
527 === kim-api-v1.9.3 ============== 10Feb2018 ====================================
529 * Major additions to options supported by the kim-api-v1-collections-management
530 utility. Added options include:
532 - list --with-version
534 - install environment
538 Additionally, items can now be installed from a source directory on the local
539 file system. Also, multiple items can be listed on a single command line.
541 * Added a kim-api-v1-activate/deactivate utilities (available when installed to
542 non-standard locations). These add/remove to PATH and setup the bash
545 * Added bash completions for user utilities
547 * Added support for the sysconfdir variable to the build system
549 * Updated utilities to more closely follow docopt.org specifications.
551 * Model/Driver 'make install-*' now respect the DESTDIR environment variable.
553 * Added support for Model/Driver install to the environment collection.
555 * Add tracking of Parameterized Model parameter file file-names within the
556 generated model shared library.
558 * Rename vc_* examples to utility_* to avoid confusion with new openkim.org
561 * Various minor typo and bug fixes.
564 === kim-api-v2.0.0-alpha.0 ====== 18Jan2018 ====================================
566 * Complete rewrite of the kim-api package. Released as "alpha" to solicit
567 feedback from the user community. Changes (possibly incompatible) will be
568 made based on user experience.
570 * Major changes are summarized below.
572 * NBCs have been eliminated.
574 * KIM descriptor files have been eliminated.
576 * A new memory management scheme has been adopted.
578 * The api is now much more consistent within each language (C++, C, Fortran)
581 * Improved logging facilities and error messages.
583 * Added Doxygen generated documentation. (See the docs for more details on
584 this version of the kim-api and on the differences between v1 and v2.)
587 === kim-api-v1.9.2 ============== 08Oct2017 ====================================
589 * Update scripts to use xz compressed tarballs (txz) instead of gz (tgz). This
590 is for compatibility with the recent removal of tgz support on openkim.org.
593 === kim-api-v1.9.1 ============== 27Sep2017 ====================================
595 * Adjustment to build config flags to make cross-language compiling a bit more
598 * Fix subtle Fortran implementation bug associated with non-short-circuit
599 conditional fortran behavior
601 * Remove 'make install-set-default-to-v1' target and update INSTALL instructions
602 No longer have kim-api-build-config, etc. Now they explicitly include the
603 major version number. For example, kim-api-v1-build-config
605 * Make some shell code more portable
607 * Fixed some other installation details
609 * Fixed missing semi-colon in makefile
612 === kim-api-v1.9.0 ============== 09Sep2017 ====================================
614 * Added collections-management user utility to manage build and install
615 of OpenKIM Models and Model Drivers
617 * Added support for "Simulator Models"
619 * Dramatically simplify build system by removing supported scenarios.
620 + Removed static-link build option
621 + Removed "in-place" build scenario
622 + Added support and use of the libexec directory to distinguish between
623 user executable utilities and program executable utilities
625 * Incorporate fix to configure script contributed by Christoph Junghans
627 * Fix minor bugs in KIM_API_DIRS
630 === kim-api-v1.8.2 ============== 17Apr2017 ====================================
632 * Fixed issues reaised by Tobias Brink (this==NULL; and `find` portability)
635 === kim-api-v1.8.1 ============== 28Mar2017 ====================================
637 * Added additional deprecations in prep. for kim-api-v2.0.0
639 * Fixed other minor bugs in create_package script and build-config.cpp
641 * Fixed bug in Makefile.ParameterizedModel
643 * Fixed formatting error in Makefiles created by build-config utility
645 * Fixed bug in ex_model_Ar_P_MLJ_CLUSTER_C example model
648 === kim-api-v1.8.0 ============== 17Jan2017 ====================================
650 * Deprecated significatant features and methods in prep. for kim-api-v2.0.0
652 * Updated `build-config' utility with more flexible options
654 * Removed `KIM_LINK = dynamic-link' option of build system
656 * Modified/Fixed/Improved the configuration and build system
658 * Added `collections-info' utility for querying environment variables,
659 user configuration files, and lists of models and model drivers in the
663 === kim-api-v1.7.3 ============== 02Jun2016 ====================================
665 * Added a `configure' script for setting up Makefile.KIM_Config
667 * Added support for environment-variable-collection
669 * Added support for user_config_file_dir_name setting
671 * Documentation update/improvements
673 * Minor improvements to error messages
675 * Added `make add-OpenKIM' feature
677 * Added `make help' feature
679 * Added release dates to NEWS file
684 === kim-api-v1.7.2 ============== 25Jun2015 ====================================
686 * Updated copyright years in files
688 * Rewrite of INSTALL file to provide a significantly improved description and
689 instructions for build and installation of the KIM API
691 * Fix error checking bug in ex_test_Ar_multiple_models Test
693 * Improve the build and install process to better follow standard conventions
694 for library soname values.
696 * Increased the maximum number of species supported by the example Tests to 200
698 * Fixed bug in example Tests related to maximum number of supported species
700 * Updated 'make clean' so that it removes all old library files in the source
703 * Fixed default make target for Parameterized Models
705 * Fixed a bug in the installation process associated with the use of DESTDIR
707 * Fixed a regular expression error in the build system
709 * Fixed memory leak in internal KIM API code
711 * Added sanity check to make sure that the 'xxd' utility is available
713 * vc_forces_numer_deriv now outputs configuration energy
715 * Documentation updates
718 === kim-api-v1.7.1 ============== 02Dec2014 ====================================
720 * Bug fix for build of parameterized Models
722 * Minor documentation update
725 === kim-api-v1.7.0 ============== 21Nov2014 ====================================
727 * Use 'xxd' utility for encapsulation of KIM descriptor files and param. files
729 * Added LINKSOPATH variable to build system for advanced system install options
731 * Added KIM_API_get_kim_str_len() routine
733 * Fix inconsistencies in ex_test_Ar_multiple_models
735 * remove build system dependency on 'ed' program
737 * Update 'make add-*' mechanism to use permanent url's for openkim.org items
739 * Fix bugs and minor improvements to build system
741 * Minor improvements to error messages
743 * Updates to documentation
746 === kim-api-v1.6.3 ============== 18Aug2014 ====================================
748 * Fixed install to recognize := and = in Makefiles
750 * Removed use of non-standard strtok_r()
752 * Fixes to ex_model_Cu_PF_Johnson & model_El_PF_Template.c
757 === kim-api-v1.6.2 ============== 11Aug2014 ====================================
759 * Correct KIM_API_Versions in template ".kim" files
761 * Update make clean target for Model Drivers and Models
763 * All template ".kim" files now generated from "legos" in git repo
766 === kim-api-v1.6.1 ============== 08Aug2014 ====================================
768 * Updates to Model Driver and Model template files (in docs/templates/)
770 * Changed the internal mechanism for handling parameter files to remove a
771 security hole associated with the use of tmpnam().
773 * Revise kim.log entries to be more informative and clear
775 * Bug fixes in build system, examples, and build system
777 * Other small documentation and code improvements
780 === kim-api-v1.6.0 ============== 28Jul2014 ====================================
782 * Documentation updates.
784 * Model Driver Template and training model examples are now generated from a
785 single consistent "lego" file. Training examples are not included in
786 official release tarballs.
788 * Add SemVer version routines to the KIM API. ".kim" files now require a
789 KIM_API_Version line to indicate the Model/Simulator compatibility.
791 * Change terminology from "Particle Types" to "Particle Species" for clarity
792 and uniformity with the rest of the OpenKIM project. (See
793 KIM_API_get_model_species(), and similar routines.)
795 * Changed KIM API routines that output strings. This avoids output of arrays
796 of strings, which are unnatural in C/C++ and allows for more natural handling
797 of string arguments in Fortran. (See: KIM_API_get_NBC_method(),
798 KIM_API_get_params(), and similar routines.)
800 * Simulators and OpenKIM Tests now should use the "kim-api-build-config"
801 utility in order to obtain appropriate compiler and linker flags for building
804 * Changed CCFLAGS to more standard CFLAGS Make variable.
806 * Build system now provides ability to download Model Drivers and Models
807 directly from openkim.org.
809 * Change package name from "openkim-api" to "kim-api".
811 * Rename this file (CHANGELOG) to NEWS, to better follow convention.
813 * A complete restructuring of the package directory layout has been performed
814 in order to conform to more standard practices and to better reflect the
815 intended behavior and use of the package components.
817 * Model Drivers now specify the name of their ".kim" file template in their
818 Makefile. The conventional name for these files now ends in ".kim.tpl".
820 * Model ".kim" file name is now specified in the Makefile and can be anything
821 the developer desires.
823 * Remove deprecated KIM_API_init() routine.
825 * Remove deprecated Fortran Cray pointer support.
828 === openkim-api-v1.5.0 ========== 16Jul2014 ====================================
830 * Documentation updates, including an extensive discussion of the installation
833 * Update examples to use KIM_API_file_init() and name their ".kim" file
834 "descriptor.kim" in accordance with the new convention of the openkim.org
837 * Deprecate KIM_API_init() and add KIM_API_file_init() to replace it as the
838 primary openkim.org Tests should initialize the KIM API and specify their KIM
841 * Portability fixes for the make system
843 * Move away from naming various files based on the item (Model Driver, Model,
844 Test) name. Instead establish standard names for each item type.
846 * Added Makefile.Version to provided the make system with version information
847 and set policy (based on SemVer 2.0.0) for how, when, and why to update the
850 * Significant updates to the make system. Primarily associated with
851 installation of the KIM API to a system-wide location, and its use once
855 === openkim-api-v1.4.1 ========== 19May2014 ====================================
858 * Added additional compiler flags to support differences between GCC and INTEL
860 * Fixed examples that used set_data when they should have used set_method.
862 * Added LDLIBS flag in split functionality of LDFLAGS variable more
863 appropriately. This is more inline with standard Makefile practice.
865 * Now 32Bit and 64Bit settings add -m32 and -m64 compiler flags automatically
867 * Added KIM_MAKE_VERBOSITY setting to Make system
869 * Updates to README, INSTALL, and Templates
871 * Make system improvements and fixes
873 * Added checks for known buggy compilers
875 * Updated and corrected documentation
878 === openkim-api-v1.4.0 ========== 26Feb2014 ====================================
881 * Improvements to robustness and efficiency of MAKE_SYSTEM
883 * Updated copyright years in files
885 * Updated documentation to reflect new Fortran 2003 bindings
887 * Converted DOCS/TEMPLATES/ to Fortran 2003 bindings
889 * Made significant improvement to neighbor list handling in example Tests
891 * Made some minor improvements to example Models and Model Drivers
893 * Converted example Models, Model Drivers, and Tests to Fortran 2003 bindings
895 * DEPRECATED all Cray pointer bindings and associated code
897 * Added Fortran 2003 bindings
900 === openkim-api-v1.3.1 ========== 20Jan2014 ====================================
903 * Fixes to make system to avoid undefined `directoryPATH()' symbol with INTEL
904 compilers and CYGWIN systems
906 * Added notes to INSTALL for gun 4.4 and CYGWIN systems
908 * Fixes to make system to work with gnu make 3.81 (avoid segmentation faults)
911 === openkim-api-v1.3.0 ========== 10Dec2013 ====================================
914 * change KIM_KEY_STRING_LENGTH to 128 (despite git log that says 257)
916 * Split .kim files and parameter files into chunks to stay under C++ supported
917 string literal length.
919 * Fix for dynamic-link compile option
921 * Some minor code fixes/updates and documentation updates
923 * Updates to `make install'
925 * Fix bug in FCC example Tests
927 * Fix/Update Templates
929 * Fix a bug in Makefile.Test
931 * Added KIM_API_get_rank and KIM_API_get_rank_by_index functions
934 === openkim-api-v1.2.3 ========== 15Nov2013 ====================================
937 * Fixed bugs in the KIM_API_string_init() function (discovered by Daniel Schopf)
939 * Fixed a memory leak in the api (patch provided by Tobias Brink)
941 * Moved `include "KIM_API_DIRS.h"' from KIM_API.h to KIM_API.cpp. This ensures
942 that this header file does not need to be installed by the `make install'
945 * Changes to Makefiles to improve portability (of `make uninstall')
947 * Some minor changes to api code to remove compiler warnings from some compilers
950 === openkim-api-v1.2.2 ========== 17Sep2013 ====================================
953 * Improved speed of make system when many Models/Tests (and Drivers) exist
955 * Improved an aspect of the api's error checking/reporting
958 === openkim-api-v1.2.1 ========== 21Jul2013 ====================================
961 * Reverted to gnu make v3.81 from v3.82 to better represent actual needs.
964 === openkim-api-v1.2.0 ========== 12Jul2013 ====================================
967 * Documentation updates.
971 * Added support for searching ${HOME}/.kim/ and ./ for Models and Model Drivers
972 when the package is installed via the `make install' command.
974 * Added install and uninstall targets to the Make system.
976 * Now the build system (in dynamic-load and dynamic-link modes) hides all
977 symbols in the Model Driver and Model libraries except for the model_init()
978 function and the Model's kim descriptor string. This means that there is no
979 need to worry about symbol clashes between Models, Model Drivers, or Tests.
981 * Implemented dynamic-load, dynamic-link, and static-link build options.
983 * Make system now provides only summary information on the build process. This
984 makes the progress easier to understand. To see the actual build commands
987 * Removed `integer*8' and changed `real' and `real*8' to `float' and `double'.
989 * Now use -g, -Wall, and -pedantic by default for all compilations.
991 * Changed model_init() function conventions to simplify the scheme. This also
992 resulted in the removal of the Model or Test name from the descriptor files.
994 * Added the openkim-api-descriptor-file-match utility.
996 * Completely rewrote and streamlined the openkim-api Make system
998 * Changed directory names from trailing `s' to trailing `S'.
1000 * Updated example Tests and Models to use the new get/set method routines.
1002 * Added `const' to api string parameters to avoid warnings in Models and Tests
1004 * Added get/set method routines to properly transfer pointers to functions
1005 or methods via the api.
1007 * Added support to examples for NEIGH_RVEC_H.
1009 * Added the NEIGH_RVEC_H NBC method.
1011 * Added ex_free_cluster_CLUSTER_memory F90 Test which manages its own memory.
1013 * Added ex_model_Cu_PF_Johnson C pair-functional model and template.
1015 * Updates and bug fixes in example Models.
1017 * Bug fixes for vc_forces_numer_deriv and added vc_config_ener_forces and
1018 vc_forces_delta to the distribution.
1021 === openkim-api-v1.1.1 ========== 19Aug2012 ====================================
1024 * Added run_forces_numer_deriv_for_all_models script that will run and
1025 summarize the results of vc_forces_numer_deriv for all available Models.
1027 * Added vc_forces_numer_deriv "verification check" that can be used with any
1028 Model to check the consistency of its computed forces with a numerical
1029 derivative based on the Model's energy.
1031 * Fixed a bug in the MI_OPBC_* support for ex_model_Ne_P_fastLJ
1033 * Fixed a bug in the make system that occurred when using static linking that
1034 would cause some Models to be incorrectly identified as "unknown"
1036 * ex_test_*_free_cluster and ex_test_*_free_cluster_stiff now support CLUSTER
1037 NBC (which means they work with ALL NBC methods)
1039 * Documentation updates
1041 * Updated 32/64 bit switching in Fortran code for easier maintenance
1043 * Moved library compile flags to end of command line to make sure all libraries
1044 are correctly associated with the appropriate .so files
1046 * Cleaned up ex_model_driver_P_* and ex_model_Ne_P_fastLJ to simplify memory
1047 management and PARAM_* handling
1050 === openkim-api-v1.1.0 ========== 12Jul2012 ====================================
1053 * Documentation updates
1055 * Introduced the use of THIS_FILE_NAME in Fortran examples instead of __FILE__.
1056 This allows for easily setting the value of THIS_FILE_NAME to something
1057 appropriate (short) when the default preprocessor value of __FILE__ is longer
1058 that 132 characters (the max line length for Fortran)
1060 * Changed KIM standard time unit from `fs' to `ps' to be consistent with LAMMPS
1063 * Changed KIM_COMPUTE and KIM_NOT_COMPUTE to KIM_COMPUTE_TRUE and
1064 KIM_COMPUTE_FALSE, respectively
1066 * Removed KIM_API_MAX_NEIGHBORS; the api no longer puts any restriction on the
1067 number of neighbors for an atom
1069 * Updated api and examples to always `return' with an error code instead of
1070 `exit' or `stop'. This allows the Test to handle errors and is a better
1071 convention for error handling
1073 * Added KIM_STATUS_MODEL_UNSUPPORTED_CONFIGURATION for cases where a
1074 configuration is identified at run time as unsupported
1076 * Removed requirement for a trailing `/' in environment variables (such as
1079 * Added make warning if `make' is invoked from a Model directory when static
1080 linking is being used.
1082 * Added `make examples-force' target
1084 * `make examples' only copies files; it no longer also compiles everything
1086 * Changed all call-back interfaces (model_init, model_reinit, model_compute,
1087 model_destroy) to be consistent: integer functions (in Fortran speak). Also
1088 updated examples and templates to conform to this new interface.
1090 * Added get_model_partcl_typs() and get_test_partcl_type() service routines
1091 Removed get_partcl_types() routine.
1093 * Added ability of a Model/Model Driver to set its particle type codes at
1096 * Added support for .kimignore files in MODELS, MODEL_DRIVERS, and TESTS
1099 * Added `Temperature' to standard.kim for "temperature dependent" Models
1101 * New Model Driver interface supports reading from any number of files (not
1104 * Support for 001-999 particle types in Model Drivers
1106 * Use $(strip ) function to avoid difficult trailing space problem in make files
1108 * Rearranged and simplify compiler settings files
1109 (KIM_API/*_compiler_settings.mk)
1111 * Changed CPPLIBFLAG to LINKLIBFLAG in Make files to better represent its use
1113 * Many improvements to Make-system portability
1115 * Carriage returns are now striped from kim and parameter files during Make
1117 * Improvements to the vc_forces_numer_deriv verification check
1119 * Bug fixes for KIM_API_init() matching
1121 * Significant clean-up/rearrangement of core api code
1124 === openkim-api-v1.0.1 ========== 25Feb2012 ====================================
1127 * Bug fix to ex_model_Ne_P_fastLJ
1129 * Bug fix to ex_model_Al_PF_ErcolessiAdams (and associated template file)
1131 * Documentation updates
1134 === openkim-api-v1.0.0 ========== 22Feb2012 ====================================
1137 * Moved all examples to EXAMPLES directory and added `make examples' target.
1139 * Renamed all example Model Drivers, Models, and Tests. Now have `ex_' prefix.
1141 * Renamed nearly all API functions to improve readability and comprehension.
1143 * Changed KIM_API_get_half_neigh and KIM_API_get_full_neigh to just
1146 * Total re-work of unit handling for the API.
1148 * Added KIM_API_model_info() function for Tests to use for discovering what a
1151 * Added KIM_API_getm_* and KIM_API_setm_* routines to get/set multiple arguments
1152 in one function call.
1154 * Added KIM_API_sting_init() for use by Tests that generate their KIM descriptor
1157 * Added process_dEdr and process_dE2dr2 approach for calculating general
1158 properties. Currently automatic support for `virial', `particleVirial', and
1159 `hessian' is available.
1161 * Added "unsymmetric half neighbor lists" (numberContributingParticles).
1163 * Added model/test buffers for use by Model and Test, respectively.
1165 * Improvements in dynamic linking setup.
1167 * Examples additions, improvements, and bug fixes.
1172 === openkim-api-v0.2.0 ========== 15Sep2011 ====================================
1175 * Updated documentation
1177 * Added KIM_API_report_error() service function and updated all examples
1178 and templates to use this function.
1180 * Added KIMstatus.h which contains definitions of KIM status codes.
1182 * Added KIM_API_status_msg() service routine to return a string describing a
1185 * Updated messages printed to kim.log file to be more informative.
1187 * Model KIM descriptor files are now incorporated into the Model's binary
1188 library file. This means that the file is no longer required at run time and
1189 that the Model must be recompiled after changes to the descriptor file.
1191 * Added Model Driver Templates
1193 * Added two Model Drivers and four Models based on the Model Drivers
1195 * Removed example model_Ar_P_MMorse in favor of the Morse Driver and its Models
1197 * Added support for Model Drivers
1202 === openkim-api-v0.1.2 ========== 22Aug2011 ====================================
1205 * Fixed a number of bugs in the examples related to running on 64bit machines
1207 * Fixed a bug in kim_api_get_nbc_method_f() related to running on 64bit
1211 === openkim-api-v0.1.1 ========== 16Aug2011 ====================================
1214 * Fixed memory handling bug associated with the service functions
1215 KIM_API_get_listAtomTypes()
1216 KIM_API_get_listParams()
1217 KIM_API_get_listFreeParams()
1218 KIM_API_get_listFixedParams()
1219 KIM_API_get_NBC_method()
1221 * Fixed bug in test_**_free_cluster.F90
1223 * Renamed `README.git' to `README_GIT' to avoid confusion with the
1224 git convention that the extension `.git' refers to a bare repository
1227 === openkim-api-v0.1.0 ========== 08Aug2011 ====================================
1230 * Added TEMPLATE files to help users create their own KIM Models.
1232 * Added a number of example Models and Tests to help users understand how to
1233 implement their own openkim-api compliant codes.
1235 * Added support for ATOM/PARTICLE types
1237 * Added support for Models to publish their parameters
1239 * Added support for Models to define a `reinit' function for use when their
1240 parameters are changed by a Test.
1242 * Improved the Makefile system in general (although, more needs to be done)
1244 * Added support for neighbor list and boundary conditions (NBC)
1246 * Added support for dynamic linking
1248 * Updated documentation
1250 * Added documentation to the standard.kim file which now describes in detail
1251 the format and content of KIM descriptor files.
1253 * Added README files to every directory. These files provide a short
1254 (hopefully helpful) description of the contents of the directory)
1257 === openkim-api-v0.0.0 =========================================================
1260 The initial release of the openkim-api package. This was first made available
1261 to participants at the Inaugural Openkim Workshop held in San Diego, CA on