=== 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 ============ 22Feb2019 ==================================== * 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.
View the NEWS file for additional history.