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#
# KIM-API: An API for interatomic models
# Copyright (c) 2013--2022, Regents of the University of Minnesota.
# All rights reserved.
#
# Contributors:
# Ryan S. Elliott
# Ellad B. Tadmor
#
# SPDX-License-Identifier: LGPL-2.1-or-later
#
# This library is free software; you can redistribute it and/or
# modify it under the terms of the GNU Lesser General Public
# License as published by the Free Software Foundation; either
# version 2.1 of the License, or (at your option) any later version.
#
# This library is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
# Lesser General Public License for more details.
#
# You should have received a copy of the GNU Lesser General Public License
# along with this library; if not, write to the Free Software Foundation,
# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
#
#
# Release: This file is part of the kim-api.git repository.
#
=== kim-api-2.3.0 =============== 17Mar2022 ====================================
* Re-license from CDDL to LGPL-2.1-or-later
* Fixed bug in c bindings for KIM_Collections_GetDirectoryName()
* Transition from Travis CI to github actions
* Add partial_particle_energy computation to utility_forces_numer_deriv
* Fixes/Improvements to CMake build system
=== kim-api-2.2.1 =============== 13Dec2020 ====================================
* replace usage of localtime() with more secure localtime_r()
* Enable Github code scanning
* Refactor CI to move codecov support to centos docker CI and speedup macOS CI
* Fix build support for coverage
* Improvements and fixes in collections management
* Use CMake CACHE variables so kim items can override package settings
* Added discussion of standalone portable model CMakeLists.txt files to docs
* Eliminate a compiler warning
* Updates to support new version of fprettyify
* Refactor libkim-api.pc file for more standard support for relocatable
behavior
* Update travis-ci badge to use .com url
* Implement more reliable method for bash scripts to find ORIGIN
* Fix bugs in handling of -DKIM_API_SYSTEM_*_DIR=":/dir/..." build options; Add
CI testing for usage of these cases.
* Correct release date for 2.2.0 in this file (Dec -> Nov)
=== kim-api-2.2.0 =============== 18Nov2020 ====================================
* The kim-api now supports Windows. Significant additions have been made to
the code and CMakeLists.txt files to support building kim-api and items on
Windows via Cygwin and MinGW; Build on Windows requires C++17.
(Thanks to Alex Stukowski)
* kim-api is now "relocatable" after install. When installed to a non-standard
PREFIX (with the CMAKE_INSTALL_PREFIX CMake option) the entire install tree
may be moved, after install, to a new location in the file system and
everything should still work. This uses the RPATH, ${ORIGIN}, and similar
mechanisms and is functioning on Linux, macOS, and Windows. (This is tested
in the CI.)
* Added 'portable-model' utility which prints out an edn dictionary containing
information about the features and properties of a portable model. This
includes the list of supported compute arguments and callbacks, the
parameters that the model makes available at runtime, etc. The utility can
be found in the LIBEXEC install directory.
* Added Push/PopDefaultPrintFunction to KIM::Log interface to support Simulator
specific logging behavior such as the need for MPI communication to the head
node for I/O operations
* Portable Model parameter files are now guaranteed to all be found in a single
subdirectory. This provides uniform handling of parameter files for both
Portable Models and Simulator Models. New GetParameterFileDirectoryName()
and GetParameterFileBasename() routines have been added and
GetParameterFileName() has been deprecated in the KIM::ModelDriverCreate
interface. A new GetParameterFileBaseName() routine has been added and
GetParameterFileName() has been deprecated in the KIM::SimulatorModel
interface.
* Update documentation to point to new https://matsci.org discourse OpenKIM
forum
* Switch to minimum version 3.10 for CMake
* Complete refactor of CMake build details to improve exported target support.
This required an update to how kim-api items define their CMakeLists.txt
files. This version remains backward compatible with item CMakeLists.txt
files from older versions, but support for these is deprecated and will be
removed in v3.
* Added human readable CMake configuration summary log (also a detailed
version) which is printed at the end of the cmake configuration step
* Added new documentation page describing CMakeLists.txt files for the various
kim-api item types
* Added native CMake implementation of xxd processing which allows the package
to be build on systems without the xxd executable
* The collections-management utility will now use curl if wget is not available
on the system
* Added a user-agent string to wget/curl commands so downloads and queries may
be identified as coming from the collections-management utility
* Improve debugging of collections-management behavior with new CM_VERBOSITY
environment variable and added better error messages
* Full refactoring of travis-ci, docker, and testing implementation
* Added support for openSUSE, ubuntu, centos, and debian to testing via docker
* Added ubuntu_cmake310 to explicitly test build with CMake version 3.10
* Added MinGW travis-ci testing (Thanks to Alex Stukowski)
* Added unique build identifier to default name for config and user collection
files
* Refactor and improve handling of deprecated identifiers in configuration file
* Check for and ignore empty kim standard metadata files
* Adopted the `fprettify` Fortran code formatter and reformat all Fortran code
to conform to the kim-api settings (now in .fprettify.rc). Added scripts to
support git-commit hook
* Refactor #includes to satisfy include-what-you-use linter
* Refactor initialization of pointers as best practice
* Fix a bug in C language binding for SimulatorModel Interface
* Fix a bug associated with the edn-cpp use of exceptions
* Fix issues identified by Coverity Scan
* Various fixes and improvements
* Various documentation updates
=== kim-api-2.1.3 =============== 16Aug2019 ====================================
* Adjust kim_collections_module to work around gfortran <= 4.8 bug.
* Fix minor bug in collections-management.
* Improve backward compatibility support for ~/.kim-api/config file format.
* Fix to Fortran/C mapping of KIM_LENGTH_UNIT_BOHR.
* Fixes to Fortran documentation and cross-references.
* Added information/links to the top level README.md
=== kim-api-2.1.2 =============== 29Jul2019 ====================================
* Fixup Fortran kim_collections_module interfaces to be consistent with c/c++.
* Fixup collections-management for portabability to dash.
* Improve item-wrapper.cpp.in for more standard compliant MD, MO, SM behavior.
* Improve zsh completion install behavior.
* Fixup Fortran c_long communication and overflow behavior.
* Add missing testing of interface in examples/simulators/collections-example.
* Improve example/simulators to remove warnings.
* Fix bug in KIM::SimulatorModel::Create().
=== kim-api-2.1.1 =============== 24Jul2019 ====================================
* Refactor 'kim-api-collections-management list' code for performance.
* Update collections-management to use 'make -j2' for improved performance.
* Improve kim-api-collections-management handling of passwords for use with
sudo. Specifically, support reading of passwords with whitespace and other
special characters.
* Add zsh support to activate/deactivate scripts & zsh completions.
* Fix c_long overflow (for i386 systems) bug in Fortran kim_collections_module.
* Rework 'kim-api-collections-management install xxx OpenKIM' behavior. Now
installs the latest official release archive found at
https://s3.openkim.org/archives/collection/. This also greatly reduces the
total build and install time.
* Redefine/refactor KIM::Collections behavior for finding item names.
Previously, a shared library file was found, opened, and checked for
validity. To significantly improve performance, now simply the existence of
the shared library file is used to identify available item names.
* Redefine/refactor collections-management and collections-info to remove
'--with-version' option.
* Fixup and improve Fortran example codes.
* Added reopology.org graphic of available binaries to README.md.
=== kim-api-2.1.0 =============== 16Jul2019 ====================================
* Added new KIM::SimulatorModel interface providing programatic support to
simulators for packaging of parameter files, input commands, and metadata
necessary to run a simulator's native potentials.
* Added new KIM::Collections interface (and the supporting extensible
enumerations KIM::Collection and KIM::CollectionItemTypes) providing
programatic access to the KIM API Collections and its configuration settings.
(This included a refactor and removal of old_KIM_API_DIRS.*.)
* Convert from old 'models' to 'portable-models' nomenclature for KIM API
collections, including environment variables, configuration file, etc. (For
backward compatibility, the old configuration file format is still accepted.)
* Added support for Metadata files to (internal) KIM::SharedLibrary and
programatic access to these files from the new KIM::Collections interface.
* Automatically add standard openkim.org metadata files (kimspec.edn,
kimprovenance.edn, and kimcite-*.bib) to an item's shared library if they
exist.
* Significant documentation updates to describe the new interfaces as well as
changing to the the Portable Model (PM) and Simulator Model (SM) terminology.
* Added explicit documentation of Fortran interfaces for routines called by the
KIM API (ModelCreate, ModelDestroy, GetNeighborList, etc.).
* Added mention of "Toy Models" to documentation.
* Added data-type error checking for Portable Model parameter get/set routines;
Thanks to Daniel Schopf.
* Bug fixes and improvements to kim-api-collections-management script
* Added support for Include-What-You-Use (IWYU).
* Added (internal) copy of edn-cpp parser for use with SMs.
* Updated existing examples as necessary and added SM example.
* Added new "unit-test" examples of simulators using the Collections and SM
interfaces.
* Improvement to pkgconfig support; Thanks to Christoph Junghans.
* Added new tests to CI, based on INSTALL file.
* Updates create-package script and added run-cmds-from-install script.
* Added .clang-format-hook-ignore file and mechanism (specifically for edn-cpp).
* Updates to better support binary installation on various systems.
* Added CDDL headers to files that did not have them.
=== kim-api-2.0.2 =============== 28Mar2019 ====================================
* Transition from 'kim-api-v2' naming to 'kim-api' for better alignment with
open source conventions
* Added a simulator model example
* Refactored support for simulator models: separated from models in collections.
Updated collections-management utility appropriately
* Updated calls to scanf() for better security
* Refactored old_KIM_API_DIRS.cpp to remove calls to 'exit()'
* Added build options to set system collection directories
* Added support for colon-separated list of directories for user and system
collections
* Added '--version' flag to utilities
* Update bash completion to work with old and new bash
* Improve robustness of creat-package script
* Updated badges to point to 'devel' branch & create-package to change to
'master' branch for release commit
* Added coverity & codecov badges to README.md
* Added vX.Y.Z-git tags to git repo and updated create-package script
* Added NEWS file to Doxygen documentation & updated doxygen settings
* Improved version build metadata string using "git describe"
* Updated link flags for codecov
=== kim-api-v2-2.0.1 ============ 27Feb2019 ====================================
* Fix bug in KIM::SemVer::ParseSemVer()
* Various minor fixes to address issues identified by Coverity Scan
* Fix version string in libkim-api-v2.pc to conform to RPM schema
* Added advanced CMake options for compilers used to build items after install
* Added item install prefix CMake variables to cache; helps with packaging
* Remove dead code in top level CMakeLists.txt
=== kim-api-v2-2.0.0 ============ 06Feb2019 ====================================
* Update main documentation.
* Added function level documentation with cross-references and input/output
argument descriptions.
* Added Known() member function to extensible enumerations.
* Extensible enumeration default constructors now create uninitialized objects.
* Rename C++ *.String() routines to *.ToString.
* Added 'recursive' to all Fortran routines (for better thread safety).
* Added support files for readthedocs.
* Additions and fixes for collections-management utility.
* Travis CI configuration updates.
* Avoid some compiler warnings from clang.
* Various CMake fixes/adjustments.
* Various bug fixes in api code.
=== kim-api-v2-2.0.0-beta.3 ===== 07Dec2018 ====================================
* Updated and added examples to work with and demonstrate api changes/additions
* Implemented new KIM::Model::IsRoutinePresent interface to facilitate
backward compatibility
* Updated SpeciesName entries for recently renamed periodic table elements
* Added WriteParameterizedModel Routine and assoc. code
* Added Extension Routine to allow for non-standard extensions
* Added Push/Pop Default Verbosity to KIM::Log
* Changed Release default LogVerbosity to INFORMATION
* Added ctest test for items to check that shared libraries can be opened
* Improvements to Collections-Management behavior
* Removed unnecessary header files
* Updated travis.ci configuration
* Refactored some backend implementation to improve maintainability, including
significant new KIM_SharedLibrarySchema interface
* Improvements to CMake build system
* Updated create-package script
* Updated documentation
=== kim-api-v2.0.0-beta.2 ======= 28Oct2018 ====================================
* CMake build and test replaces custom Makefiles; added travis, gitlab CI
A big thank you to Richard Berger and Christoph Junghans for their major
contribution in getting the KIM API package converted to CMake.
* Using standard pkg-config setup instead of custom kim-api-v2-build-config
* Major restructuring of the Fortran bindings.
* Make ModelRefresh and ModelComputeArgumentsDestroy functions optional
* Add Model routine and callback prototypes in KIM_Functions header
* Add a required unique name field for parameters.
* Refactoring of neighbor list hints. The half-list hint had a fatal flaw
which required its removal.
* Significant refactoring of the logging macros in C and C++. Complete removal
of all preprocessing for Fortran.
* Redesign of release and packaging script and process.
* Added a couple of new models that illustrate various features of the api.
* Removed v1 to v2 porting guide.
* "Summary of Differences Between kim-api-v1 and kim-api-v2" docs page now
contains tables with a complete listing of all kim-api identifiers in all
languages and their mappings between one-another.
* Complete update of documentation. Rework and correct definition of
partialVirial and partialParticleVirial.
* Added emacs cc-mode settings
* Added clang-format settings, scripts, and git-hooks for C/C++
* Complete review of C++, C, and Fortran bindings for consistency
* Many other small and not-so-small changes.
=== kim-api-v2.0.0-beta.1 ======= 07Jul2018 ====================================
* Fix memory leak and uninitialized variables id'ed by coverity scan.
* Update docs and porting guide for neighbor list hints changes.
* Implement neighbor list hints (paddingNeighbor & halfList); update examples.
* Add SetArgumentPointer(xxx * const ptr) to C++ bindings for consistency.
* Add C++ LennardJones_Ar stand-alone model example.
* Fix compatibility checking code in example simulators.
* Update LennardJones612 example to use 1/2 list short-circuit mechanism.
* Fix collections-info to set log verbosity to debug.
* Use NULL consistently to initialize pointers in implemenation code.
=== 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-v2.0.0-beta.0 ======= 26Jun2018 ====================================
* Added a 'Guide for porting content from KIM API v1 to v2' to documentation
* Documentation updates and improvements
* Implemented extensive error checking and logging within the API
* Separated Model object into ComputeArguments and Model
* Many refinements and corrections to the new API
=== 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 openkim.org
* 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
completions.
* Added bash completions for user utilities
* Added support for the sysconfdir variable to the build system
* Updated utilities to more closely follow docopt.org 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 openkim.org
Verification Checks.
* Various minor typo and bug fixes.
=== kim-api-v2.0.0-alpha.0 ====== 18Jan2018 ====================================
* Complete rewrite of the kim-api package. Released as "alpha" to solicit
feedback from the user community. Changes (possibly incompatible) will be
made based on user experience.
* Major changes are summarized below.
* NBCs have been eliminated.
* KIM descriptor files have been eliminated.
* A new memory management scheme has been adopted.
* The api is now much more consistent within each language (C++, C, Fortran)
binding.
* Improved logging facilities and error messages.
* Added Doxygen generated documentation. (See the docs for more details on
this version of the kim-api and on the differences between v1 and v2.)
=== 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 openkim.org.
=== kim-api-v1.9.1 ============== 27Sep2017 ====================================
* Adjustment to build config flags to make cross-language compiling a bit more
flexible
* 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
collections.
=== 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
directories
* 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 openkim.org 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 openkim.org.
* 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
"descriptor.kim" in accordance with the new convention of the openkim.org
processing pipeline.
* Deprecate KIM_API_init() and add KIM_API_file_init() to replace it as the
primary openkim.org 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
version.
* 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'
command.
* 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.