Commit fc2e8b3c authored by Christoph Junghans's avatar Christoph Junghans
Browse files

more USER packages

parent bb87bd4a
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+23 −2
Original line number Diff line number Diff line
@@ -45,7 +45,9 @@ set(PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GRANULAR
  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-FEP USER-H5MD USER-LB USER-MANIFOLD USER-MEAMC USER-MGPT USER-MISC
  USER-MOLFILE USER-NETCDF USER-PHONON USER-QTB USER-REAXC USER-SMD 
  USER-SMTBQ USER-SPH USER-TALLY)
foreach(PKG ${PACKAGES})
  option(ENABLE_${PKG} "Build ${PKG} Package" ${ENABLE_ALL})
endforeach()
@@ -66,6 +68,8 @@ pkg_depends(QEQ MANYBODY)
pkg_depends(USER-ATC MANYBODY)
pkg_depends(USER-H5MD MPI)
pkg_depends(USER-LB MPI)
pkg_depends(USER-MISC MANYBODY)
pkg_depends(USER-PHONON KSPACE)

if(ENABLE_KSPACE)
  find_package(FFTW3)
@@ -131,6 +135,22 @@ if(ENABLE_VORONOI)
  #TODO download and build voro++
endif()

if(ENABLE_USER-MOLFILE)
  list(APPEND LAMMPS_LINK_LIBS ${CMAKE_DL_LIBS})
endif()

if(ENABLE_USER-NETCDF)
  find_package(NetCDF REQUIRED)
  include_directories(NETCDF_INCLUDE_DIR)
  list(APPEND LAMMPS_LINK_LIBS ${NETCDF_LIBRARY})
  add_definitions(-DLMP_HAS_NETCDF -DNC_64BIT_DATA=0x0020)
endif()

if(ENABLE_USER-SMD)
  find_package(Eigen3 REQUIRED)
  include_directories(${EIGEN3_INCLUDE_DIR})
endif()

########################################################################
# Basic system tests (standard libraries, headers, functions, types)   #
########################################################################
@@ -206,7 +226,8 @@ if(ENABLE_USER_OMP OR ENABLE_KOKKOS)
  set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${OpenMP_CXX_FLAGS}")
endif()

foreach(SIMPLE_LIB REAX MEAM POEMS USER-ATC USER-AWPMD USER-COLVARS USER-H5MD)
foreach(SIMPLE_LIB REAX MEAM POEMS USER-ATC USER-AWPMD USER-COLVARS USER-H5MD
  USER-MOLFILE)
  if(ENABLE_${SIMPLE_LIB})
    string(REGEX REPLACE "^USER-" "" SIMPLE_LIB "${SIMPLE_LIB}")
    string(TOLOWER "${SIMPLE_LIB}" INC_DIR)