tx258/lammps-gran-kokkos
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Merge branch 'master' of github.com:gtribello/lammps into fix-plumed

Browse Source
This commit is contained in:
Axel Kohlmeyer
2018-10-28 21:29:53 -04:00
parent a60b6d1ab8 3cc9384488
commit e788ffe210
1 changed files with 24 additions and 2 deletions
Download Patch File Download Diff File Expand all files Collapse all files

26
cmake/CMakeLists.txt
View File

@ -171,8 +171,9 @@ set(DEFAULT_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS DIPOLE GRANULAR
USER-BOCS USER-CGDNA USER-MESO 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 USER-MOFFF USER-MOLFILE USER-NETCDF
USER-PHONON 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-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)
set(ACCEL_PACKAGES USER-OMP KOKKOS OPT USER-INTEL GPU)
set(OTHER_PACKAGES CORESHELL QEQ)
foreach(PKG ${DEFAULT_PACKAGES})
@ -526,6 +527,27 @@ if(PKG_USER-SCAFACOS)
include_directories(${SCAFACOS_INCLUDE_DIRS})
endif()
if(PKG_USER-PLUMED)
option(DOWNLOAD_PLUMED "Download Plumed (instead of using the system's one)" OFF)
if(DOWNLOAD_PLUMED)
include(ExternalProject)
ExternalProject_Add(plumed_build
URL https://github.com/plumed/plumed2/releases/download/v2.4.3/plumed-2.4.3.tgz
URL_MD5 bed9c88c8c635b269c1cd4a0598a2934
BUILD_IN_SOURCE 1
CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR>
$<$<BOOL:${BUILD_SHARED_LIBS}>:--with-pic> )
ExternalProject_get_property(plumed_build INSTALL_DIR)
set(PLUMED_BUILD_DIR ${INSTALL_DIR})
list(APPEND LAMMPS_DEPS plumed_build)
list(APPEND LAMMPS_LINK_LIBS ${PLUMED_BUILD_DIR}/lib/libplumed.so)
else()
find_package(PkgConfig REQUIRED)
pkg_check_modules(PLUMED plumed REQUIRED)
list(APPEND LAMMPS_LINK_LIBS ${PLUMED_LDFLAGS})
endif()
endif()
if(PKG_USER-MOLFILE)
add_library(molfile INTERFACE)
target_include_directories(molfile INTERFACE ${LAMMPS_LIB_SOURCE_DIR}/molfile)