Unverified Commit 4eafb624 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer Committed by GitHub
Browse files

Merge pull request #1392 from ellio167/kim-2.0.2 

Updates for kim-api-2.0.2 release
parents 67775373 9d0e518c

cmake/CMakeLists.txt

+13 −13
Original line number Diff line number Diff line
@@ -667,15 +667,15 @@ if(PKG_KIM) 
    list(APPEND LAMMPS_LINK_LIBS ${CURL_LIBRARIES})

    add_definitions(-DLMP_KIM_CURL)

  endif()

  option(DOWNLOAD_KIM "Download KIM-API v2 from OpenKIM instead of using an already installed one" OFF)

  option(DOWNLOAD_KIM "Download KIM-API from OpenKIM instead of using an already installed one" OFF)

  if(DOWNLOAD_KIM)

    message(STATUS "KIM-API v2 download requested - we will build our own")

    message(STATUS "KIM-API download requested - we will build our own")

    enable_language(C)

    enable_language(Fortran)

    include(ExternalProject)

    ExternalProject_Add(kim_build

      URL https://s3.openkim.org/kim-api/kim-api-v2-2.0.1.txz

      URL_MD5 289c57f0c3bc2a549662283cac1c4ef1

      URL https://s3.openkim.org/kim-api/kim-api-2.0.2.txz

      URL_MD5 537d9c0abd30f85b875ebb584f9143fa

      BINARY_DIR build

      CMAKE_ARGS -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}

                 -DCMAKE_CXX_COMPILER=${CMAKE_CXX_COMPILER}
@@ -684,17 +684,17 @@ if(PKG_KIM) 
                 -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}

      )

    ExternalProject_get_property(kim_build INSTALL_DIR)

    set(KIM-API-V2_INCLUDE_DIRS ${INSTALL_DIR}/include/kim-api-v2)

    set(KIM-API-V2_LDFLAGS ${INSTALL_DIR}/${CMAKE_INSTALL_LIBDIR}/libkim-api-v2${CMAKE_SHARED_LIBRARY_SUFFIX})

    set(KIM-API_INCLUDE_DIRS ${INSTALL_DIR}/include/kim-api)

    set(KIM-API_LDFLAGS ${INSTALL_DIR}/${CMAKE_INSTALL_LIBDIR}/libkim-api${CMAKE_SHARED_LIBRARY_SUFFIX})

    list(APPEND LAMMPS_DEPS kim_build)

  else()

    find_package(KIM-API-V2)

    if(NOT KIM-API-V2_FOUND)

      message(FATAL_ERROR "KIM-API v2 not found, help CMake to find it by setting PKG_CONFIG_PATH, or set DOWNLOAD_KIM=ON to download it")

    find_package(KIM-API)

    if(NOT KIM-API_FOUND)

      message(FATAL_ERROR "KIM-API not found, help CMake to find it by setting PKG_CONFIG_PATH, or set DOWNLOAD_KIM=ON to download it")

    endif()

  endif()

  list(APPEND LAMMPS_LINK_LIBS "${KIM-API-V2_LDFLAGS}")

  include_directories(${KIM-API-V2_INCLUDE_DIRS})

  list(APPEND LAMMPS_LINK_LIBS "${KIM-API_LDFLAGS}")

  include_directories(${KIM-API_INCLUDE_DIRS})

endif()



if(PKG_MESSAGE)

cmake/Modules/FindKIM-API-V2.cmake→cmake/Modules/FindKIM-API.cmake.in

+11 −11
Original line number Diff line number Diff line
@@ -19,7 +19,7 @@ 
#



#

# Copyright (c) 2013--2018, Regents of the University of Minnesota.

# Copyright (c) 2013--2019, Regents of the University of Minnesota.

# All rights reserved.

#

# Contributors:
@@ -28,23 +28,23 @@ 
#    Ryan S. Elliott

#



# - Find KIM-API-V2

# - Find KIM-API

#

# sets standard pkg_check_modules variables plus:

#

# KIM-API-V2-CMAKE_C_COMPILER

# KIM-API-V2-CMAKE_CXX_COMPILER

# KIM-API-V2-CMAKE_Fortran_COMPILER

# KIM-API-CMAKE_C_COMPILER

# KIM-API-CMAKE_CXX_COMPILER

# KIM-API-CMAKE_Fortran_COMPILER

#

find_package(PkgConfig REQUIRED)

include(FindPackageHandleStandardArgs)



pkg_check_modules(KIM-API-V2 REQUIRED libkim-api-v2>=2.0)

pkg_check_modules(KIM-API REQUIRED libkim-api>=2.0)



pkg_get_variable(KIM-API-V2-CMAKE_C_COMPILER libkim-api-v2 CMAKE_C_COMPILER)

pkg_get_variable(KIM-API-V2-CMAKE_CXX_COMPILER libkim-api-v2 CMAKE_CXX_COMPILER)

pkg_get_variable(KIM-API-V2_CMAKE_Fortran_COMPILER libkim-api-v2 CMAKE_Fortran_COMPILER)

pkg_get_variable(KIM-API-V2-CMAKE_C_COMPILER libkim-api CMAKE_C_COMPILER)

pkg_get_variable(KIM-API-V2-CMAKE_CXX_COMPILER libkim-api CMAKE_CXX_COMPILER)

pkg_get_variable(KIM-API-V2_CMAKE_Fortran_COMPILER libkim-api CMAKE_Fortran_COMPILER)



# handle the QUIETLY and REQUIRED arguments and set KIM-API-V2_FOUND to TRUE

# handle the QUIETLY and REQUIRED arguments and set KIM-API_FOUND to TRUE

# if all listed variables are TRUE

find_package_handle_standard_args(KIM-API-V2 REQUIRED_VARS KIM-API-V2_LIBRARIES)
 
find_package_handle_standard_args(KIM-API REQUIRED_VARS KIM-API_LIBRARIES)

doc/src/Build_extras.txt

+1 −1
Original line number Diff line number Diff line
@@ -195,7 +195,7 @@ https://openkim.org/browse/models/by-model-drivers 
If DOWNLOAD_KIM is set, the KIM library will be downloaded and built

inside the CMake build directory.  If the KIM library is already on

your system (in a location CMake cannot find it), set the PKG_CONFIG_PATH

environment variable so that libkim-api-v2 can be found.

environment variable so that libkim-api can be found.



[Traditional make]:

lib/kim/Install.py

+3 −3
Original line number Diff line number Diff line
@@ -18,7 +18,7 @@ parser = ArgumentParser(prog='Install.py', 
# settings



thisdir = fullpath('.')

version = "kim-api-v2-2.0.1"

version = "kim-api-2.0.2"



# help message
@@ -154,7 +154,7 @@ if buildflag: 
  # add all OpenKIM models, if desired

  if everythingflag:

    print("Adding all OpenKIM models, this will take a while ...")

    cmd = '%s/bin/kim-api-v2-collections-management install system OpenKIM' % (kimdir)

    cmd = '%s/bin/kim-api-collections-management install system OpenKIM' % (kimdir)

    txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)

    if verboseflag:

      print(txt.decode("UTF-8"))
@@ -171,7 +171,7 @@ if addflag: 
    sys.exit("\nkim-api is not installed")



  # download single model

  cmd = '%s/bin/kim-api-v2-collections-management install system %s' % (kimdir.decode("UTF-8"), addmodelname)

  cmd = '%s/bin/kim-api-collections-management install system %s' % (kimdir.decode("UTF-8"), addmodelname)

  txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)

  if verboseflag:

    print(txt.decode("UTF-8"))

lib/kim/Makefile.lammps

+4 −4
Original line number Diff line number Diff line
@@ -23,11 +23,11 @@ kim_PREFIX := $(if $(shell printf -- "$${PKG_CONFIG_PATH}"),$(kim_PREFIX):$(she 


# there is no usable libcurl installation

ifeq ($(shell curl-config --version 2> /dev/null),)

kim_SYSINC  := $(shell export PKG_CONFIG_PATH="$(kim_PREFIX)"; pkg-config --cflags libkim-api-v2 2> /dev/null)

kim_SYSLIB  := $(shell export PKG_CONFIG_PATH="$(kim_PREFIX)"; pkg-config --libs   libkim-api-v2 2> /dev/null)

kim_SYSINC  := $(shell export PKG_CONFIG_PATH="$(kim_PREFIX)"; pkg-config --cflags libkim-api 2> /dev/null)

kim_SYSLIB  := $(shell export PKG_CONFIG_PATH="$(kim_PREFIX)"; pkg-config --libs   libkim-api 2> /dev/null)

else

kim_SYSINC  := $(shell export PKG_CONFIG_PATH="$(kim_PREFIX)"; pkg-config --cflags libkim-api-v2 2> /dev/null) $(shell curl-config --cflags) -DLMP_KIM_CURL

kim_SYSLIB  := $(shell export PKG_CONFIG_PATH="$(kim_PREFIX)"; pkg-config --libs   libkim-api-v2 2> /dev/null) $(shell curl-config --libs)

kim_SYSINC  := $(shell export PKG_CONFIG_PATH="$(kim_PREFIX)"; pkg-config --cflags libkim-api 2> /dev/null) $(shell curl-config --cflags) -DLMP_KIM_CURL

kim_SYSLIB  := $(shell export PKG_CONFIG_PATH="$(kim_PREFIX)"; pkg-config --libs   libkim-api 2> /dev/null) $(shell curl-config --libs)

endif



ifeq ($(strip $(kim_SYSINC)),)

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