From 7605f72c9a3e484515da9b1bd10d36251dee6a5c Mon Sep 17 00:00:00 2001 From: Christoph Junghans Date: Sun, 16 Jul 2017 22:37:51 -0600 Subject: [PATCH] finish USER-QMMM --- cmake/CMakeLists.txt | 4 ++-- cmake/Modules/FindQE.cmake | 15 +++++++++++---- 2 files changed, 13 insertions(+), 6 deletions(-) diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt index c40cee9252..7727efa8c9 100644 --- a/cmake/CMakeLists.txt +++ b/cmake/CMakeLists.txt @@ -75,7 +75,7 @@ pkg_depends(USER-LB MPI) pkg_depends(USER-MISC MANYBODY) pkg_depends(USER-PHONON KSPACE) -if(ENABLE_REAX OR ENABLE_MEAM OR ENABLE_USER-QUIP) +if(ENABLE_REAX OR ENABLE_MEAM OR ENABLE_USER-QUIP OR ENABLE_USER-QMMM) enable_language(Fortran) endif() @@ -185,7 +185,7 @@ endif() if(ENABLE_USER-QMMM) find_package(QE REQUIRED) include_directories(${QE_INCLUDE_DIRS}) - list(APPEND LAMMPS_LINK_LIBS ${QE_LIBRARIES}) + list(APPEND LAMMPS_LINK_LIBS ${QE_LIBRARIES} ${CMAKE_Fortran_IMPLICIT_LINK_LIBRARIES}) endif() ######################################################################## diff --git a/cmake/Modules/FindQE.cmake b/cmake/Modules/FindQE.cmake index c46adc1689..4484bd4db2 100644 --- a/cmake/Modules/FindQE.cmake +++ b/cmake/Modules/FindQE.cmake @@ -8,15 +8,22 @@ find_path(QE_INCLUDE_DIR libqecouple.h PATH_SUFFIXES COUPLE/include) -find_library(QE_LIBRARY NAMES libqefft) +find_library(QECOUPLE_LIBRARY NAMES qecouple) +find_library(PW_LIBRARY NAMES pw) +find_library(QEMOD_LIBRARY NAMES qemod) +find_library(QEFFT_LIBRARY NAMES qefft) +find_library(QELA_LIBRARY NAMES qela) +find_library(CLIB_LIBRARY NAMES clib) +find_library(IOTK_LIBRARY NAMES iotk) -set(QE_LIBRARIES ${QE_LIBRARY}) + +set(QE_LIBRARIES ${QECOUPLE_LIBRARY} ${PW_LIBRARY} ${QEMOD_LIBRARY} ${QEFFT_LIBRARY} ${QELA_LIBRARY} ${CLIB_LIBRARY} ${IOTK_LIBRARY}) set(QE_INCLUDE_DIRS ${QE_INCLUDE_DIR}) include(FindPackageHandleStandardArgs) # handle the QUIETLY and REQUIRED arguments and set QE_FOUND to TRUE # if all listed variables are TRUE -find_package_handle_standard_args(QE DEFAULT_MSG QE_LIBRARY QE_INCLUDE_DIR) +find_package_handle_standard_args(QE DEFAULT_MSG QECOUPLE_LIBRARY PW_LIBRARY QEMOD_LIBRARY QEFFT_LIBRARY QELA_LIBRARY CLIB_LIBRARY IOTK_LIBRARY QE_INCLUDE_DIR) -mark_as_advanced(QE_INCLUDE_DIR QE_LIBRARY ) +mark_as_advanced(QE_INCLUDE_DIR QECOUPLE_LIBRARY PW_LIBRARY QEMOD_LIBRARY QEFFT_LIBRARY QELA_LIBRARY CLIB_LIBRARY IOTK_LIBRARY)