diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt index a9ea3a059fb9d14bab34adb1f2b0bbefa30dda37..478785b3cb7169fa4610f1c28e4cd6e049273c8b 100644 --- a/cmake/CMakeLists.txt +++ b/cmake/CMakeLists.txt @@ -198,14 +198,13 @@ if(ENABLE_PYTHON) add_definitions(-DLMP_PYTHON) include_directories(${PYTHON_INCLUDE_DIR}) list(APPEND LAMMPS_LINK_LIBS ${PYTHON_LIBRARY}) - if(NOT PYTHON_INSTDIR) - execute_process(COMMAND ${PYTHON_EXECUTABLE} - -c "import distutils.sysconfig as cg; print(cg.get_python_lib(1,0,prefix='${CMAKE_INSTALL_PREFIX}'))" - OUTPUT_VARIABLE PYTHON_INSTDIR OUTPUT_STRIP_TRAILING_WHITESPACE) - endif() - install(FILES ${CMAKE_CURRENT_SOURCE_DIR}/../python/lammps.py DESTINATION ${PYTHON_INSTDIR}) - if(NOT BUILD_SHARED_LIBS) - message(FATAL_ERROR "Python package need lammps to be build shared, use -DBUILD_SHARED_LIBS=ON") + if(BUILD_SHARED_LIBS) + if(NOT PYTHON_INSTDIR) + execute_process(COMMAND ${PYTHON_EXECUTABLE} + -c "import distutils.sysconfig as cg; print(cg.get_python_lib(1,0,prefix='${CMAKE_INSTALL_PREFIX}'))" + OUTPUT_VARIABLE PYTHON_INSTDIR OUTPUT_STRIP_TRAILING_WHITESPACE) + endif() + install(FILES ${CMAKE_CURRENT_SOURCE_DIR}/../python/lammps.py DESTINATION ${PYTHON_INSTDIR}) endif() endif() @@ -401,6 +400,10 @@ foreach(SIMPLE_LIB REAX MEAM POEMS USER-ATC USER-AWPMD USER-COLVARS USER-H5MD target_include_directories(awpmd PUBLIC ${LAMMPS_LIB_SOURCE_DIR}/awpmd/systems/interact ${LAMMPS_LIB_SOURCE_DIR}/awpmd/ivutils/include) elseif(PKG_LIB STREQUAL h5md) target_include_directories(h5md PUBLIC ${LAMMPS_LIB_SOURCE_DIR}/h5md/include) + elseif(PKG_LIB STREQUAL colvars) + target_compile_options(colvars PRIVATE -DLEPTON) + target_include_directories(colvars PRIVATE ${LAMMPS_LIB_SOURCE_DIR}/colvars/lepton/include) + target_include_directories(colvars PUBLIC ${LAMMPS_LIB_SOURCE_DIR}/colvars) else() target_include_directories(${PKG_LIB} PUBLIC ${LAMMPS_LIB_SOURCE_DIR}/${PKG_LIB}) endif() diff --git a/src/MANYBODY/pair_polymorphic.h b/src/MANYBODY/pair_polymorphic.h index 9917bcd96df565ec9ec5953fe5b135a5d50ac7e8..18eab4636578e3cbb6e254ad853a4dc055d7925a 100644 --- a/src/MANYBODY/pair_polymorphic.h +++ b/src/MANYBODY/pair_polymorphic.h @@ -21,6 +21,7 @@ PairStyle(polymorphic,PairPolymorphic) #define LMP_PAIR_POLYMORPHIC_H #include "pair.h" +#include <math.h> namespace LAMMPS_NS { diff --git a/src/MANYBODY/pair_tersoff_mod.h b/src/MANYBODY/pair_tersoff_mod.h index 8bc7ed37a8f7345f4665d589d957d95f2822a910..fea3919be315688871058e832596600a7a3a7d71 100644 --- a/src/MANYBODY/pair_tersoff_mod.h +++ b/src/MANYBODY/pair_tersoff_mod.h @@ -21,6 +21,7 @@ PairStyle(tersoff/mod,PairTersoffMOD) #define LMP_PAIR_TERSOFF_MOD_H #include "pair_tersoff.h" +#include <math.h> namespace LAMMPS_NS {