Merge pull request #2488 from ellio167/kim-api-2.2

Update KIM.cmake for kim-api-2.2.0

cmake/Modules/Packages/KIM.cmake

@@ -34,8 +34,8 @@ if(DOWNLOAD_KIM)
   enable_language(C)
   enable_language(Fortran)
   ExternalProject_Add(kim_build
-    URL https://s3.openkim.org/kim-api/kim-api-2.1.3.txz
-    URL_MD5 6ee829a1bbba5f8b9874c88c4c4ebff8
+    URL https://s3.openkim.org/kim-api/kim-api-2.2.0.txz
+    URL_MD5 e7f944e1593cffd7444679a660607f6c
     BINARY_DIR build
     CMAKE_ARGS ${CMAKE_REQUEST_PIC}
                -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
@@ -53,11 +53,28 @@ if(DOWNLOAD_KIM)
   add_library(LAMMPS::KIM UNKNOWN IMPORTED)
   set_target_properties(LAMMPS::KIM PROPERTIES
     IMPORTED_LOCATION "${INSTALL_DIR}/lib/libkim-api${CMAKE_SHARED_LIBRARY_SUFFIX}"
-    INTERFACE_INCLUDE_DIRECTORIES "${INSTALL_DIR}/include/kim-api")
-  target_link_libraries(lammps PRIVATE LAMMPS::KIM)
+    INTERFACE_INCLUDE_DIRECTORIES "${INSTALL_DIR}/include/kim-api"
+    )
   add_dependencies(LAMMPS::KIM kim_build)
+  target_link_libraries(lammps PRIVATE LAMMPS::KIM)
+  # Set rpath so lammps build directory is relocatable
+  if("${CMAKE_SYSTEM_NAME}" STREQUAL "Darwin")
+    set(_rpath_prefix "@loader_path")
+  else()
+    set(_rpath_prefix "$ORIGIN")
+  endif()
+  set_target_properties(lmp PROPERTIES
+    BUILD_RPATH "${_rpath_prefix}/kim_build-prefix/lib"
+    )
 else()
-  find_package(PkgConfig REQUIRED)
-  pkg_check_modules(KIM-API REQUIRED IMPORTED_TARGET libkim-api>=${KIM-API_MIN_VERSION})
-  target_link_libraries(lammps PRIVATE PkgConfig::KIM-API)
+  if(KIM-API_FOUND AND KIM_API_VERSION VERSION_GREATER_EQUAL 2.2.0)
+    # For kim-api >= 2.2.0
+    find_package(KIM-API ${KIM-API_MIN_VERSION} CONFIG REQUIRED)
+    target_link_libraries(lammps PRIVATE KIM-API::kim-api)
+  else()
+    # For kim-api 2.1.3 (consistent with previous version of this file)
+    find_package(PkgConfig REQUIRED)
+    pkg_check_modules(KIM-API REQUIRED IMPORTED_TARGET libkim-api>=KIM-API_MIN_VERSION)
+    target_link_libraries(lammps PRIVATE PkgConfig::KIM-API)
+  endif()
 endif()

lib/kim/Install.py

@@ -18,12 +18,13 @@ parser = ArgumentParser(prog='Install.py',
 # settings
 
 thisdir = fullpath('.')
-version = "2.1.3"
+version = "2.2.0"
 
 # known checksums for different KIM-API versions. used to validate the download.
 checksums = { \
         '2.1.2' : '6ac52e14ef52967fc7858220b208cba5', \
         '2.1.3' : '6ee829a1bbba5f8b9874c88c4c4ebff8', \
+        '2.2.0' : 'e7f944e1593cffd7444679a660607f6c', \
         }