svn commit: r506955 - in head/science: . kim-api
Yuri Victorovich
yuri at FreeBSD.org
Fri Jul 19 17:51:10 UTC 2019
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 at 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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