Date: Fri, 19 Jul 2019 17:51:09 +0000 (UTC) From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r506955 - in head/science: . kim-api Message-ID: <201907191751.x6JHp9np051007@repo.freebsd.org>
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Author: yuri Date: Fri Jul 19 17:51:08 2019 New Revision: 506955 URL: https://svnweb.freebsd.org/changeset/ports/506955 Log: New port: science/kim-api: Framework for reliable, reproducible, portable molecular simulations Added: head/science/kim-api/ head/science/kim-api/Makefile (contents, props changed) head/science/kim-api/distinfo (contents, props changed) head/science/kim-api/pkg-descr (contents, props changed) head/science/kim-api/pkg-plist (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Fri Jul 19 17:08:28 2019 (r506954) +++ head/science/Makefile Fri Jul 19 17:51:08 2019 (r506955) @@ -110,6 +110,7 @@ SUBDIR += jmol SUBDIR += jstrack SUBDIR += kalzium + SUBDIR += kim-api SUBDIR += kst2 SUBDIR += lammps SUBDIR += lamprop Added: head/science/kim-api/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/kim-api/Makefile Fri Jul 19 17:51:08 2019 (r506955) @@ -0,0 +1,19 @@ +# $FreeBSD$ + +PORTNAME= kim-api +DISTVERSION= 2.1.0 +CATEGORIES= science +MASTER_SITES= https://s3.openkim.org/kim-api/ + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Framework for reliable, reproducible, portable molecular simulations + +LICENSE= CDDL +LICENSE_FILE= ${WRKSRC}/LICENSE.CDDL + +BUILD_DEPENDS= xxd:editors/vim-console + +USES= cmake:noninja fortran tar:txz +USE_LDCONFIG= yes + +.include <bsd.port.mk> Added: head/science/kim-api/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/kim-api/distinfo Fri Jul 19 17:51:08 2019 (r506955) @@ -0,0 +1,3 @@ +TIMESTAMP = 1563556754 +SHA256 (kim-api-2.1.0.txz) = d6b154b31b288ec0a5643db176950ed71f1ca83a146af210a1d5d01cce8ce958 +SIZE (kim-api-2.1.0.txz) = 294092 Added: head/science/kim-api/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/kim-api/pkg-descr Fri Jul 19 17:51:08 2019 (r506955) @@ -0,0 +1,8 @@ +OpenKIM is an online framework for making molecular simulations reliable, +reproducible, and portable. Computer implementations of interatomic models are +archived in OpenKIM, verified for coding integrity, and tested by computing +their predictions for a variety of material properties. Models conforming to the +KIM application programming interface (API) work seamlessly with major +simulation codes that have adopted the KIM API standard. + +WWW: https://openkim.org/ Added: head/science/kim-api/pkg-plist ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/kim-api/pkg-plist Fri Jul 19 17:51:08 2019 (r506955) @@ -0,0 +1,147 @@ +bin/kim-api-collections-management +etc/bash_completion.d/kim-api-collections-management.bash +include/kim-api/KIM_ChargeUnit.h +include/kim-api/KIM_ChargeUnit.hpp +include/kim-api/KIM_Collection.h +include/kim-api/KIM_Collection.hpp +include/kim-api/KIM_CollectionItemType.h +include/kim-api/KIM_CollectionItemType.hpp +include/kim-api/KIM_Collections.h +include/kim-api/KIM_Collections.hpp +include/kim-api/KIM_ComputeArgumentName.h +include/kim-api/KIM_ComputeArgumentName.hpp +include/kim-api/KIM_ComputeArguments.h +include/kim-api/KIM_ComputeArguments.hpp +include/kim-api/KIM_ComputeCallbackName.h +include/kim-api/KIM_ComputeCallbackName.hpp +include/kim-api/KIM_DataType.h +include/kim-api/KIM_DataType.hpp +include/kim-api/KIM_EnergyUnit.h +include/kim-api/KIM_EnergyUnit.hpp +include/kim-api/KIM_FunctionTypes.h +include/kim-api/KIM_FunctionTypes.hpp +include/kim-api/KIM_LOG_DEFINES.inc +include/kim-api/KIM_LanguageName.h +include/kim-api/KIM_LanguageName.hpp +include/kim-api/KIM_LengthUnit.h +include/kim-api/KIM_LengthUnit.hpp +include/kim-api/KIM_Log.h +include/kim-api/KIM_Log.hpp +include/kim-api/KIM_LogMacros.h +include/kim-api/KIM_LogMacros.hpp +include/kim-api/KIM_LogVerbosity.h +include/kim-api/KIM_LogVerbosity.hpp +include/kim-api/KIM_Model.h +include/kim-api/KIM_Model.hpp +include/kim-api/KIM_ModelCompute.h +include/kim-api/KIM_ModelCompute.hpp +include/kim-api/KIM_ModelComputeArguments.h +include/kim-api/KIM_ModelComputeArguments.hpp +include/kim-api/KIM_ModelComputeArgumentsCreate.h +include/kim-api/KIM_ModelComputeArgumentsCreate.hpp +include/kim-api/KIM_ModelComputeArgumentsDestroy.h +include/kim-api/KIM_ModelComputeArgumentsDestroy.hpp +include/kim-api/KIM_ModelCreate.h +include/kim-api/KIM_ModelCreate.hpp +include/kim-api/KIM_ModelDestroy.h +include/kim-api/KIM_ModelDestroy.hpp +include/kim-api/KIM_ModelDriverCreate.h +include/kim-api/KIM_ModelDriverCreate.hpp +include/kim-api/KIM_ModelDriverHeaders.h +include/kim-api/KIM_ModelDriverHeaders.hpp +include/kim-api/KIM_ModelExtension.h +include/kim-api/KIM_ModelExtension.hpp +include/kim-api/KIM_ModelHeaders.h +include/kim-api/KIM_ModelHeaders.hpp +include/kim-api/KIM_ModelRefresh.h +include/kim-api/KIM_ModelRefresh.hpp +include/kim-api/KIM_ModelRoutineName.h +include/kim-api/KIM_ModelRoutineName.hpp +include/kim-api/KIM_ModelWriteParameterizedModel.h +include/kim-api/KIM_ModelWriteParameterizedModel.hpp +include/kim-api/KIM_Numbering.h +include/kim-api/KIM_Numbering.hpp +include/kim-api/KIM_SemVer.h +include/kim-api/KIM_SemVer.hpp +include/kim-api/KIM_SimulatorHeaders.h +include/kim-api/KIM_SimulatorHeaders.hpp +include/kim-api/KIM_SimulatorModel.h +include/kim-api/KIM_SimulatorModel.hpp +include/kim-api/KIM_SpeciesName.h +include/kim-api/KIM_SpeciesName.hpp +include/kim-api/KIM_SupportStatus.h +include/kim-api/KIM_SupportStatus.hpp +include/kim-api/KIM_SupportedExtensions.h +include/kim-api/KIM_SupportedExtensions.hpp +include/kim-api/KIM_TemperatureUnit.h +include/kim-api/KIM_TemperatureUnit.hpp +include/kim-api/KIM_TimeUnit.h +include/kim-api/KIM_TimeUnit.hpp +include/kim-api/KIM_UnitSystem.h +include/kim-api/KIM_UnitSystem.hpp +include/kim-api/KIM_Version.h +include/kim-api/KIM_Version.hpp +lib/kim-api/cmake/KIM_SharedLibrarySchema.hpp +lib/kim-api/cmake/item-compiled-with-version.txt.in +lib/kim-api/cmake/item-info.txt.in +lib/kim-api/cmake/item-wrapper.cpp.in +lib/kim-api/mod/kim_charge_unit_module.mod +lib/kim-api/mod/kim_collection_item_type_module.mod +lib/kim-api/mod/kim_collection_module.mod +lib/kim-api/mod/kim_collections_module.mod +lib/kim-api/mod/kim_compute_argument_name_module.mod +lib/kim-api/mod/kim_compute_arguments_module.mod +lib/kim-api/mod/kim_compute_callback_name_module.mod +lib/kim-api/mod/kim_data_type_module.mod +lib/kim-api/mod/kim_energy_unit_module.mod +lib/kim-api/mod/kim_language_name_module.mod +lib/kim-api/mod/kim_length_unit_module.mod +lib/kim-api/mod/kim_log_module.mod +lib/kim-api/mod/kim_log_verbosity_module.mod +lib/kim-api/mod/kim_model_compute_arguments_create_module.mod +lib/kim-api/mod/kim_model_compute_arguments_destroy_module.mod +lib/kim-api/mod/kim_model_compute_arguments_module.mod +lib/kim-api/mod/kim_model_compute_module.mod +lib/kim-api/mod/kim_model_create_module.mod +lib/kim-api/mod/kim_model_destroy_module.mod +lib/kim-api/mod/kim_model_driver_create_module.mod +lib/kim-api/mod/kim_model_driver_headers_module.mod +lib/kim-api/mod/kim_model_extension_module.mod +lib/kim-api/mod/kim_model_headers_module.mod +lib/kim-api/mod/kim_model_module.mod +lib/kim-api/mod/kim_model_refresh_module.mod +lib/kim-api/mod/kim_model_routine_name_module.mod +lib/kim-api/mod/kim_model_write_parameterized_model_module.mod +lib/kim-api/mod/kim_numbering_module.mod +lib/kim-api/mod/kim_sem_ver_module.mod +lib/kim-api/mod/kim_simulator_headers_module.mod +lib/kim-api/mod/kim_simulator_model_module.mod +lib/kim-api/mod/kim_species_name_module.mod +lib/kim-api/mod/kim_support_status_module.mod +lib/kim-api/mod/kim_supported_extensions_module.mod +lib/kim-api/mod/kim_temperature_unit_module.mod +lib/kim-api/mod/kim_time_unit_module.mod +lib/kim-api/mod/kim_unit_system_module.mod +lib/kim-api/model-drivers/LennardJones612__MD_414112407348_003/libkim-api-model-driver.so +lib/kim-api/model-drivers/ex_model_driver_P_LJ/libkim-api-model-driver.so +lib/kim-api/model-drivers/ex_model_driver_P_Morse/libkim-api-model-driver.so +lib/kim-api/portable-models/LennardJones612_UniversalShifted__MO_959249795837_003/libkim-api-portable-model.so +lib/kim-api/portable-models/LennardJones_Ar/libkim-api-portable-model.so +lib/kim-api/portable-models/ex_model_Ar_P_LJ/libkim-api-portable-model.so +lib/kim-api/portable-models/ex_model_Ar_P_MLJ_Fortran/libkim-api-portable-model.so +lib/kim-api/portable-models/ex_model_Ar_P_Morse/libkim-api-portable-model.so +lib/kim-api/portable-models/ex_model_Ar_P_Morse_07C/libkim-api-portable-model.so +lib/kim-api/portable-models/ex_model_Ar_P_Morse_07C_w_Extensions/libkim-api-portable-model.so +lib/kim-api/portable-models/ex_model_Ar_P_Morse_MultiCutoff/libkim-api-portable-model.so +lib/kim-api/portable-models/ex_model_Ar_SLJ_MultiCutoff/libkim-api-portable-model.so +lib/kim-api/simulator-models/Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu/libkim-api-simulator-model.so +lib/libkim-api.so +lib/libkim-api.so.2 +libdata/pkgconfig/libkim-api.pc +libexec/kim-api/kim-api-collections-info +libexec/kim-api/kim-api-shared-library-test +libexec/kim-api/kim-api-simulator-model +share/cmake/Modules/FindKIM-API.cmake +share/cmake/kim-api/kim-api-config-version.cmake +share/cmake/kim-api/kim-api-config.cmake +share/emacs/site-lisp/kim-api/kim-api-c-style.el
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