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New port: science/kim-api: Framework for reliable, reproducible, portable molecular simulations
This commit is contained in:
Yuri Victorovich
parent
e78463fedc
commit
747697260d
Notes:
svn2git
2021-03-31 03:12:20 +00:00
svn path=/head/; revision=506955
@ -110,6 +110,7 @@
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SUBDIR += jmol
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SUBDIR += jstrack
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SUBDIR += kalzium
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SUBDIR += kim-api
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SUBDIR += kst2
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SUBDIR += lammps
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SUBDIR += lamprop
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19
science/kim-api/Makefile
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19
science/kim-api/Makefile
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# $FreeBSD$
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PORTNAME= kim-api
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DISTVERSION= 2.1.0
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CATEGORIES= science
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MASTER_SITES= https://s3.openkim.org/kim-api/
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= Framework for reliable, reproducible, portable molecular simulations
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LICENSE= CDDL
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LICENSE_FILE= ${WRKSRC}/LICENSE.CDDL
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BUILD_DEPENDS= xxd:editors/vim-console
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USES= cmake:noninja fortran tar:txz
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USE_LDCONFIG= yes
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.include <bsd.port.mk>
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3
science/kim-api/distinfo
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3
science/kim-api/distinfo
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TIMESTAMP = 1563556754
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SHA256 (kim-api-2.1.0.txz) = d6b154b31b288ec0a5643db176950ed71f1ca83a146af210a1d5d01cce8ce958
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SIZE (kim-api-2.1.0.txz) = 294092
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8
science/kim-api/pkg-descr
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8
science/kim-api/pkg-descr
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OpenKIM is an online framework for making molecular simulations reliable,
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reproducible, and portable. Computer implementations of interatomic models are
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archived in OpenKIM, verified for coding integrity, and tested by computing
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their predictions for a variety of material properties. Models conforming to the
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KIM application programming interface (API) work seamlessly with major
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simulation codes that have adopted the KIM API standard.
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WWW: https://openkim.org/
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147
science/kim-api/pkg-plist
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147
science/kim-api/pkg-plist
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@ -0,0 +1,147 @@
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bin/kim-api-collections-management
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etc/bash_completion.d/kim-api-collections-management.bash
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include/kim-api/KIM_ChargeUnit.h
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include/kim-api/KIM_ChargeUnit.hpp
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include/kim-api/KIM_Collection.h
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include/kim-api/KIM_Collection.hpp
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include/kim-api/KIM_CollectionItemType.h
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include/kim-api/KIM_CollectionItemType.hpp
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include/kim-api/KIM_Collections.h
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include/kim-api/KIM_Collections.hpp
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include/kim-api/KIM_ComputeArgumentName.h
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include/kim-api/KIM_ComputeArgumentName.hpp
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include/kim-api/KIM_ComputeArguments.h
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include/kim-api/KIM_ComputeArguments.hpp
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include/kim-api/KIM_ComputeCallbackName.h
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include/kim-api/KIM_ComputeCallbackName.hpp
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include/kim-api/KIM_DataType.h
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include/kim-api/KIM_DataType.hpp
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include/kim-api/KIM_EnergyUnit.h
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include/kim-api/KIM_EnergyUnit.hpp
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include/kim-api/KIM_FunctionTypes.h
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include/kim-api/KIM_FunctionTypes.hpp
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include/kim-api/KIM_LOG_DEFINES.inc
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include/kim-api/KIM_LanguageName.h
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include/kim-api/KIM_LanguageName.hpp
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include/kim-api/KIM_LengthUnit.h
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include/kim-api/KIM_LengthUnit.hpp
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include/kim-api/KIM_Log.h
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include/kim-api/KIM_Log.hpp
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include/kim-api/KIM_LogMacros.h
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include/kim-api/KIM_LogMacros.hpp
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include/kim-api/KIM_LogVerbosity.h
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include/kim-api/KIM_LogVerbosity.hpp
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include/kim-api/KIM_Model.h
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include/kim-api/KIM_Model.hpp
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include/kim-api/KIM_ModelCompute.h
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include/kim-api/KIM_ModelCompute.hpp
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include/kim-api/KIM_ModelComputeArguments.h
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include/kim-api/KIM_ModelComputeArguments.hpp
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include/kim-api/KIM_ModelComputeArgumentsCreate.h
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include/kim-api/KIM_ModelComputeArgumentsCreate.hpp
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include/kim-api/KIM_ModelComputeArgumentsDestroy.h
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include/kim-api/KIM_ModelComputeArgumentsDestroy.hpp
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include/kim-api/KIM_ModelCreate.h
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include/kim-api/KIM_ModelCreate.hpp
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include/kim-api/KIM_ModelDestroy.h
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include/kim-api/KIM_ModelDestroy.hpp
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include/kim-api/KIM_ModelDriverCreate.h
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include/kim-api/KIM_ModelDriverCreate.hpp
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include/kim-api/KIM_ModelDriverHeaders.h
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include/kim-api/KIM_ModelDriverHeaders.hpp
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include/kim-api/KIM_ModelExtension.h
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include/kim-api/KIM_ModelExtension.hpp
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include/kim-api/KIM_ModelHeaders.h
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include/kim-api/KIM_ModelHeaders.hpp
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include/kim-api/KIM_ModelRefresh.h
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include/kim-api/KIM_ModelRefresh.hpp
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include/kim-api/KIM_ModelRoutineName.h
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include/kim-api/KIM_ModelRoutineName.hpp
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include/kim-api/KIM_ModelWriteParameterizedModel.h
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include/kim-api/KIM_ModelWriteParameterizedModel.hpp
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include/kim-api/KIM_Numbering.h
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include/kim-api/KIM_Numbering.hpp
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include/kim-api/KIM_SemVer.h
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include/kim-api/KIM_SemVer.hpp
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include/kim-api/KIM_SimulatorHeaders.h
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include/kim-api/KIM_SimulatorHeaders.hpp
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include/kim-api/KIM_SimulatorModel.h
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include/kim-api/KIM_SimulatorModel.hpp
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include/kim-api/KIM_SpeciesName.h
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include/kim-api/KIM_SpeciesName.hpp
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include/kim-api/KIM_SupportStatus.h
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include/kim-api/KIM_SupportStatus.hpp
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include/kim-api/KIM_SupportedExtensions.h
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include/kim-api/KIM_SupportedExtensions.hpp
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include/kim-api/KIM_TemperatureUnit.h
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include/kim-api/KIM_TemperatureUnit.hpp
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include/kim-api/KIM_TimeUnit.h
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include/kim-api/KIM_TimeUnit.hpp
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include/kim-api/KIM_UnitSystem.h
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include/kim-api/KIM_UnitSystem.hpp
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include/kim-api/KIM_Version.h
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include/kim-api/KIM_Version.hpp
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lib/kim-api/cmake/KIM_SharedLibrarySchema.hpp
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lib/kim-api/cmake/item-compiled-with-version.txt.in
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lib/kim-api/cmake/item-info.txt.in
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lib/kim-api/cmake/item-wrapper.cpp.in
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lib/kim-api/mod/kim_charge_unit_module.mod
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lib/kim-api/mod/kim_collection_item_type_module.mod
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lib/kim-api/mod/kim_collection_module.mod
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lib/kim-api/mod/kim_collections_module.mod
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lib/kim-api/mod/kim_compute_argument_name_module.mod
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lib/kim-api/mod/kim_compute_arguments_module.mod
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lib/kim-api/mod/kim_compute_callback_name_module.mod
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lib/kim-api/mod/kim_data_type_module.mod
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lib/kim-api/mod/kim_energy_unit_module.mod
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lib/kim-api/mod/kim_language_name_module.mod
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lib/kim-api/mod/kim_length_unit_module.mod
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lib/kim-api/mod/kim_log_module.mod
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lib/kim-api/mod/kim_log_verbosity_module.mod
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lib/kim-api/mod/kim_model_compute_arguments_create_module.mod
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lib/kim-api/mod/kim_model_compute_arguments_destroy_module.mod
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lib/kim-api/mod/kim_model_compute_arguments_module.mod
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lib/kim-api/mod/kim_model_compute_module.mod
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lib/kim-api/mod/kim_model_create_module.mod
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lib/kim-api/mod/kim_model_destroy_module.mod
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lib/kim-api/mod/kim_model_driver_create_module.mod
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lib/kim-api/mod/kim_model_driver_headers_module.mod
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lib/kim-api/mod/kim_model_extension_module.mod
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lib/kim-api/mod/kim_model_headers_module.mod
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lib/kim-api/mod/kim_model_module.mod
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lib/kim-api/mod/kim_model_refresh_module.mod
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lib/kim-api/mod/kim_model_routine_name_module.mod
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lib/kim-api/mod/kim_model_write_parameterized_model_module.mod
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lib/kim-api/mod/kim_numbering_module.mod
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lib/kim-api/mod/kim_sem_ver_module.mod
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lib/kim-api/mod/kim_simulator_headers_module.mod
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lib/kim-api/mod/kim_simulator_model_module.mod
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lib/kim-api/mod/kim_species_name_module.mod
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lib/kim-api/mod/kim_support_status_module.mod
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lib/kim-api/mod/kim_supported_extensions_module.mod
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lib/kim-api/mod/kim_temperature_unit_module.mod
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lib/kim-api/mod/kim_time_unit_module.mod
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lib/kim-api/mod/kim_unit_system_module.mod
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lib/kim-api/model-drivers/LennardJones612__MD_414112407348_003/libkim-api-model-driver.so
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lib/kim-api/model-drivers/ex_model_driver_P_LJ/libkim-api-model-driver.so
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lib/kim-api/model-drivers/ex_model_driver_P_Morse/libkim-api-model-driver.so
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lib/kim-api/portable-models/LennardJones612_UniversalShifted__MO_959249795837_003/libkim-api-portable-model.so
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lib/kim-api/portable-models/LennardJones_Ar/libkim-api-portable-model.so
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lib/kim-api/portable-models/ex_model_Ar_P_LJ/libkim-api-portable-model.so
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lib/kim-api/portable-models/ex_model_Ar_P_MLJ_Fortran/libkim-api-portable-model.so
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lib/kim-api/portable-models/ex_model_Ar_P_Morse/libkim-api-portable-model.so
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lib/kim-api/portable-models/ex_model_Ar_P_Morse_07C/libkim-api-portable-model.so
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lib/kim-api/portable-models/ex_model_Ar_P_Morse_07C_w_Extensions/libkim-api-portable-model.so
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lib/kim-api/portable-models/ex_model_Ar_P_Morse_MultiCutoff/libkim-api-portable-model.so
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lib/kim-api/portable-models/ex_model_Ar_SLJ_MultiCutoff/libkim-api-portable-model.so
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lib/kim-api/simulator-models/Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu/libkim-api-simulator-model.so
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lib/libkim-api.so
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lib/libkim-api.so.2
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libdata/pkgconfig/libkim-api.pc
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libexec/kim-api/kim-api-collections-info
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libexec/kim-api/kim-api-shared-library-test
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libexec/kim-api/kim-api-simulator-model
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share/cmake/Modules/FindKIM-API.cmake
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share/cmake/kim-api/kim-api-config-version.cmake
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share/cmake/kim-api/kim-api-config.cmake
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share/emacs/site-lisp/kim-api/kim-api-c-style.el
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