Unverified Commit cbae3b5a authored by Axel Kohlmeyer's avatar Axel Kohlmeyer Committed by GitHub
Browse files

Merge pull request #1184 from DiscreteLogarithm/sdpd 

add USER-SDPD package for Smoothed Dissipative Particle Dynamics
parents 3681bc85 e0955f64

cmake/CMakeLists.txt

+16 −2
Original line number Diff line number Diff line
@@ -172,8 +172,8 @@ set(DEFAULT_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS DIPOLE GRANULAR 
  USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD USER-LB USER-MANIFOLD

  USER-MEAMC USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF

  USER-PHONON USER-PLUMED USER-PTM USER-QTB USER-REAXC USER-SCAFACOS

  USER-SMD USER-SMTBQ USER-SPH USER-TALLY USER-UEF USER-VTK USER-QUIP

  USER-QMMM)

  USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY USER-UEF USER-VTK

  USER-QUIP USER-QMMM)

set(ACCEL_PACKAGES USER-OMP KOKKOS OPT USER-INTEL GPU)

set(OTHER_PACKAGES CORESHELL QEQ)

foreach(PKG ${DEFAULT_PACKAGES})
@@ -905,6 +905,20 @@ if(PKG_USER-OMP) 
    include_directories(${USER-OMP_SOURCES_DIR})

endif()



# Fix rigid/meso requires RIGID to be installed

if(PKG_USER-SDPD)

  set(USER-SDPD_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/USER-SDPD)



  get_property(hlist GLOBAL PROPERTY FIX)

  if(NOT PKG_RIGID)

    list(REMOVE_ITEM hlist ${USER-SDPD_SOURCES_DIR}/fix_rigid_meso.h)

    list(REMOVE_ITEM LIB_SOURCES ${USER-SDPD_SOURCES_DIR}/fix_rigid_meso.cpp)

  endif()

  set_property(GLOBAL PROPERTY FIX "${hlist}")



  include_directories(${USER-SDPD_SOURCES_DIR})

endif()



if(PKG_KOKKOS)

  set(LAMMPS_LIB_KOKKOS_SRC_DIR ${LAMMPS_LIB_SOURCE_DIR}/kokkos)

  set(LAMMPS_LIB_KOKKOS_BIN_DIR ${LAMMPS_LIB_BINARY_DIR}/kokkos)

cmake/presets/all_off.cmake

+1 −1
Original line number Diff line number Diff line
@@ -8,7 +8,7 @@ set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVA 
                  USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESO

                  USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE

                  USER-NETCDF USER-OMP USER-PHONON USER-QMMM USER-QTB

                  USER-QUIP USER-REAXC USER-SMD USER-SMTBQ USER-SPH USER-TALLY

                  USER-QUIP USER-REAXC USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY

                  USER-UEF USER-VTK)



set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI

cmake/presets/all_on.cmake

+1 −1
Original line number Diff line number Diff line
@@ -8,7 +8,7 @@ set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVA 
                  USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESO

                  USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE

                  USER-NETCDF USER-OMP USER-PHONON USER-QMMM USER-QTB

                  USER-QUIP USER-REAXC USER-SMD USER-SMTBQ USER-SPH USER-TALLY

                  USER-QUIP USER-REAXC USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY

                  USER-UEF USER-VTK)



set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI

cmake/presets/manual_selection.cmake

+1 −0
Original line number Diff line number Diff line
@@ -61,6 +61,7 @@ set(PKG_USER-QMMM OFF CACHE BOOL "" FORCE) 
set(PKG_USER-QTB OFF CACHE BOOL "" FORCE)

set(PKG_USER-QUIP OFF CACHE BOOL "" FORCE)

set(PKG_USER-REAXC OFF CACHE BOOL "" FORCE)

set(PKG_USER-SDPD OFF CACHE BOOL "" FORCE)

set(PKG_USER-SMD OFF CACHE BOOL "" FORCE)

set(PKG_USER-SMTBQ OFF CACHE BOOL "" FORCE)

set(PKG_USER-SPH OFF CACHE BOOL "" FORCE)

cmake/presets/nolib.cmake

+1 −1
Original line number Diff line number Diff line
@@ -8,7 +8,7 @@ set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVA 
                  USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESO

                  USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE

                  USER-NETCDF USER-OMP USER-PHONON USER-QMMM USER-QTB

                  USER-QUIP USER-REAXC USER-SMD USER-SMTBQ USER-SPH USER-TALLY

                  USER-QUIP USER-REAXC USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY

                  USER-UEF USER-VTK)



set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI

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