add OpenKIM support

option(ENABLE_ALL "Build all packages" OFF)

set(PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GRANULAR

  KSPACE MANYBODY MC MEAM MISC MOLECULE MSCG MPIIO PERI POEMS PYTHON QEQ

  KIM KSPACE MANYBODY MC MEAM MISC MOLECULE MSCG MPIIO PERI POEMS PYTHON QEQ

  REAX REPLICA RIGID SHOCK SNAP SRD VORONOI USER-ATC USER-AWPMD USER-CGDNA

  USER-CGSDK USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF

  USER-FEP USER-H5MD USER-LB USER-MANIFOLD USER-MEAMC USER-MGPT USER-MISC

  list(APPEND LAMMPS_LINK_LIBS ${VTK_LIBRARIES})

endif()

if(ENABLE_KIM)

  find_package(KIM REQUIRED)

  list(APPEND LAMMPS_LINK_LIBS ${KIM_LIBRARIES})

  include_directories(${KIM_INCLUDE_DIRS})

endif()

if(ENABLE_MSCG)

  find_package(GSL REQUIRED)

  set(LAMMPS_LIB_MSCG_BIN_DIR ${LAMMPS_LIB_BINARY_DIR}/mscg)

# - Find kim

# Find the native KIM headers and libraries.

#

#  KIM_INCLUDE_DIRS - where to find kim.h, etc.

#  KIM_LIBRARIES    - List of libraries when using kim.

#  KIM_FOUND        - True if kim found.

#

find_path(KIM_INCLUDE_DIR KIM_API.h PATH_SUFFIXES kim-api-v1)

find_library(KIM_LIBRARY NAMES kim-api-v1)

set(KIM_LIBRARIES ${KIM_LIBRARY})

set(KIM_INCLUDE_DIRS ${KIM_INCLUDE_DIR})

include(FindPackageHandleStandardArgs)

# handle the QUIETLY and REQUIRED arguments and set KIM_FOUND to TRUE

# if all listed variables are TRUE

find_package_handle_standard_args(KIM DEFAULT_MSG KIM_LIBRARY KIM_INCLUDE_DIR)

mark_as_advanced(KIM_INCLUDE_DIR KIM_LIBRARY )

# - Find NetCDF

# Find the native NetCDF includes and library

#

#  NETCDF_INCLUDE_DIR  - user modifiable choice of where netcdf headers are

#  NETCDF_LIBRARY      - user modifiable choice of where netcdf libraries are

#

# Your package can require certain interfaces to be FOUND by setting these

#

#  NETCDF_CXX         - require the C++ interface and link the C++ library

#  NETCDF_F77         - require the F77 interface and link the fortran library

#  NETCDF_F90         - require the F90 interface and link the fortran library

#

# Or equivalently by calling FindNetCDF with a COMPONENTS argument containing one or

# more of "CXX;F77;F90".

#

# When interfaces are requested the user has access to interface specific hints:

#

#  NETCDF_${LANG}_INCLUDE_DIR - where to search for interface header files

#  NETCDF_${LANG}_LIBRARY     - where to search for interface libraries

#

# This module returns these variables for the rest of the project to use.

#

#  NETCDF_FOUND          - True if NetCDF found including required interfaces (see below)

#  NETCDF_LIBRARIES      - All netcdf related libraries.

#  NETCDF_INCLUDE_DIRS   - All directories to include.

#  NETCDF_HAS_INTERFACES - Whether requested interfaces were found or not.

#  NETCDF_${LANG}_INCLUDE_DIRS/NETCDF_${LANG}_LIBRARIES - C/C++/F70/F90 only interface

#

# Normal usage would be:

#  set (NETCDF_F90 "YES")

#  find_package (NetCDF REQUIRED)

#  target_link_libraries (uses_everthing ${NETCDF_LIBRARIES})

#  target_link_libraries (only_uses_f90 ${NETCDF_F90_LIBRARIES})

#search starting from user editable cache var

if (NETCDF_INCLUDE_DIR AND NETCDF_LIBRARY)

  # Already in cache, be silent

  set (NETCDF_FIND_QUIETLY TRUE)

endif ()

set(USE_DEFAULT_PATHS "NO_DEFAULT_PATH")

if(NETCDF_USE_DEFAULT_PATHS)

  set(USE_DEFAULT_PATHS "")

endif()

find_path (NETCDF_INCLUDE_DIR netcdf.h

  HINTS "${NETCDF_DIR}/include")

mark_as_advanced (NETCDF_INCLUDE_DIR)

set (NETCDF_C_INCLUDE_DIRS ${NETCDF_INCLUDE_DIR})

find_library (NETCDF_LIBRARY NAMES netcdf

  HINTS "${NETCDF_DIR}/lib")

mark_as_advanced (NETCDF_LIBRARY)

set (NETCDF_C_LIBRARIES ${NETCDF_LIBRARY})

#start finding requested language components

set (NetCDF_libs "")

set (NetCDF_includes "${NETCDF_INCLUDE_DIR}")

get_filename_component (NetCDF_lib_dirs "${NETCDF_LIBRARY}" PATH)

set (NETCDF_HAS_INTERFACES "YES") # will be set to NO if we're missing any interfaces

macro (NetCDF_check_interface lang header libs)

  if (NETCDF_${lang})

    #search starting from user modifiable cache var

    find_path (NETCDF_${lang}_INCLUDE_DIR NAMES ${header}

      HINTS "${NETCDF_INCLUDE_DIR}"

      HINTS "${NETCDF_${lang}_ROOT}/include"

      ${USE_DEFAULT_PATHS})

    find_library (NETCDF_${lang}_LIBRARY NAMES ${libs}

      HINTS "${NetCDF_lib_dirs}"

      HINTS "${NETCDF_${lang}_ROOT}/lib"

      ${USE_DEFAULT_PATHS})

    mark_as_advanced (NETCDF_${lang}_INCLUDE_DIR NETCDF_${lang}_LIBRARY)

    #export to internal varS that rest of project can use directly

    set (NETCDF_${lang}_LIBRARIES ${NETCDF_${lang}_LIBRARY})

    set (NETCDF_${lang}_INCLUDE_DIRS ${NETCDF_${lang}_INCLUDE_DIR})

    if (NETCDF_${lang}_INCLUDE_DIR AND NETCDF_${lang}_LIBRARY)

      list (APPEND NetCDF_libs ${NETCDF_${lang}_LIBRARY})

      list (APPEND NetCDF_includes ${NETCDF_${lang}_INCLUDE_DIR})

    else ()

      set (NETCDF_HAS_INTERFACES "NO")

      message (STATUS "Failed to find NetCDF interface for ${lang}")

    endif ()

  endif ()

endmacro ()

list (FIND NetCDF_FIND_COMPONENTS "CXX" _nextcomp)

if (_nextcomp GREATER -1)

  set (NETCDF_CXX 1)

endif ()

list (FIND NetCDF_FIND_COMPONENTS "F77" _nextcomp)

if (_nextcomp GREATER -1)

  set (NETCDF_F77 1)

endif ()

list (FIND NetCDF_FIND_COMPONENTS "F90" _nextcomp)

if (_nextcomp GREATER -1)

  set (NETCDF_F90 1)

endif ()

NetCDF_check_interface (CXX netcdfcpp.h netcdf_c++)

NetCDF_check_interface (F77 netcdf.inc  netcdff)

NetCDF_check_interface (F90 netcdf.mod  netcdff)

#export accumulated results to internal varS that rest of project can depend on

list (APPEND NetCDF_libs "${NETCDF_C_LIBRARIES}")

set (NETCDF_LIBRARIES ${NetCDF_libs})

set (NETCDF_INCLUDE_DIRS ${NetCDF_includes})

# handle the QUIETLY and REQUIRED arguments and set NETCDF_FOUND to TRUE if

# all listed variables are TRUE

include (FindPackageHandleStandardArgs)

find_package_handle_standard_args (NetCDF

  DEFAULT_MSG NETCDF_LIBRARIES NETCDF_INCLUDE_DIRS NETCDF_HAS_INTERFACES)