From bb87bd4ac74d4bc5bb1a9b9e3db2562bdacf1984 Mon Sep 17 00:00:00 2001 From: Christoph Junghans Date: Sun, 16 Jul 2017 17:01:28 -0600 Subject: [PATCH] enable more user packages --- cmake/CMakeLists.txt | 14 ++++++++++++-- 1 file changed, 12 insertions(+), 2 deletions(-) diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt index b1990b1a9c..43d8f5decf 100644 --- a/cmake/CMakeLists.txt +++ b/cmake/CMakeLists.txt @@ -43,7 +43,9 @@ option(CMAKE_VERBOSE_MAKEFILE "Verbose makefile" OFF) 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 - REAX REPLICA RIGID SHOCK SNAP SRD VORONOI USER-ATC USER-AWPMD) + 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) foreach(PKG ${PACKAGES}) option(ENABLE_${PKG} "Build ${PKG} Package" ${ENABLE_ALL}) endforeach() @@ -62,6 +64,8 @@ endmacro() pkg_depends(MPIIO MPI) pkg_depends(QEQ MANYBODY) pkg_depends(USER-ATC MANYBODY) +pkg_depends(USER-H5MD MPI) +pkg_depends(USER-LB MPI) if(ENABLE_KSPACE) find_package(FFTW3) @@ -202,7 +206,7 @@ if(ENABLE_USER_OMP OR ENABLE_KOKKOS) set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${OpenMP_CXX_FLAGS}") endif() -foreach(SIMPLE_LIB REAX MEAM POEMS USER-ATC USER-AWPMD) +foreach(SIMPLE_LIB REAX MEAM POEMS USER-ATC USER-AWPMD USER-COLVARS USER-H5MD) if(ENABLE_${SIMPLE_LIB}) string(REGEX REPLACE "^USER-" "" SIMPLE_LIB "${SIMPLE_LIB}") string(TOLOWER "${SIMPLE_LIB}" INC_DIR) @@ -218,6 +222,12 @@ if(ENABLE_USER-AWPMD) ${LAMMPS_LIB_SOURCE_DIR}/awpmd/ivutils/include) endif() +if(ENABLE_USER-H5MD) + find_package(HDF5 REQUIRED) + list(APPEND LAMMPS_LINK_LIBS ${HDF5_LIBRARIES}) + include_directories(${HDF5_INCLUDE_DIRS} ${LAMMPS_LIB_SOURCE_DIR}/h5md/include) +endif() + if(ENABLE_MSCG) find_package(GSL REQUIRED) set(LAMMPS_LIB_MSCG_BIN_DIR ${LAMMPS_LIB_BINARY_DIR}/mscg)