--- /dev/null
- if(GMX_ASM_USEASM-NASM)
- enable_language(ASM-NASM)
+set(LIBGROMACS_SOURCES)
+
+add_subdirectory(legacyheaders)
+add_subdirectory(gmxlib)
+add_subdirectory(mdlib)
+add_subdirectory(gmxpreprocess)
+add_subdirectory(analysisdata)
+add_subdirectory(fatalerror)
+add_subdirectory(options)
+add_subdirectory(selection)
+add_subdirectory(trajectoryanalysis)
+add_subdirectory(utility)
+
+file(GLOB LIBGROMACS_HEADERS *.h)
+install(FILES ${LIBGROMACS_HEADERS} DESTINATION ${INCL_INSTALL_DIR}/gromacs
+ COMPONENT development)
+
+# only fiddle with assembly kernels if we're not doing OpenMM build
+if(NOT GMX_OPENMM)
- COMMAND ${CMAKE_ASM-NASM_COMPILER} -f ${CMAKE_ASM-NASM_OBJECT_FORMAT} -o ${OBJ} ${SRC})
++if(GMX_ASM_USEASM_NASM)
++ enable_language(ASM_NASM)
+ # if NASM is used, we need a special build command for windows...
+ FOREACH(SRC ${GMX_SSEKERNEL_ASM_SRC})
+ GET_FILENAME_COMPONENT(FILE_BASE ${SRC} NAME_WE)
+ SET(OBJ ${CMAKE_CURRENT_BINARY_DIR}/${FILE_BASE}${CMAKE_C_OUTPUT_EXTENSION})
+
+ ADD_CUSTOM_COMMAND(OUTPUT ${OBJ}
+ MAIN_DEPENDENCY ${SRC}
- else(GMX_ASM_USEASM-NASM)
++ COMMAND ${CMAKE_ASM_NASM_COMPILER} -f ${CMAKE_ASM_NASM_OBJECT_FORMAT} -o ${OBJ} ${SRC})
+
+ SET(ALL_ASM_OBJS ${ALL_ASM_OBJS} ${OBJ})
+ ENDFOREACH(SRC ${GMX_SSEKERNEL_ASM_SRC})
+ set(GMX_SSEKERNEL_ASM_SRC ${ALL_ASM_OBJS})
- endif(GMX_ASM_USEASM-NASM)
++else(GMX_ASM_USEASM_NASM)
+ enable_language(ASM-ATT)
+ SET(CMAKE_ASM-ATT_COMPILER ${CMAKE_C_COMPILER})
+ if(GMX_IA32_ASM)
+ set_source_files_properties(${GMX_SSEKERNEL_ASM_SRC} PROPERTIES COMPILE_FLAGS "-c -m32")
+ else()
+ set_source_files_properties(${GMX_SSEKERNEL_ASM_SRC} PROPERTIES COMPILE_FLAGS "-c -m64")
+ endif()
++endif(GMX_ASM_USEASM_NASM)
+endif(NOT GMX_OPENMM)
+
+list(APPEND LIBGROMACS_SOURCES ${GMXLIB_SOURCES} ${GMX_SSEKERNEL_ASM_SRC} ${MDLIB_SOURCES})
+
+# add target that generates version.c every time a make is run
+# only do this if we generate the version
+if (USE_VERSION_H)
+ add_custom_target(gmx_version ALL
+ COMMAND ${CMAKE_COMMAND}
+ -D GIT_EXECUTABLE="${GIT_EXECUTABLE}"
+ -D GIT_VERSION="${GIT_VERSION}"
+ -D PROJECT_VERSION="${PROJECT_VERSION}"
+ -D PROJECT_SOURCE_DIR="${PROJECT_SOURCE_DIR}"
+ -D VERSION_C_CMAKEIN="${CMAKE_CURRENT_SOURCE_DIR}/version.c.cmakein"
+ -D VERSION_C_OUT="${CMAKE_CURRENT_BINARY_DIR}/version.c"
+ -P ${CMAKE_SOURCE_DIR}/cmake/gmxGenerateVersionInfo.cmake
+ WORKING_DIRECTORY ${CMAKE_SOURCE_DIR}/src/gmxlib
+ DEPENDS ${CMAKE_CURRENT_SOURCE_DIR}/version.c.cmakein
+ COMMENT "Generating version information")
+ list(APPEND LIBGROMACS_SOURCES ${CMAKE_CURRENT_BINARY_DIR}/version.c) # auto-generated
+ set_source_files_properties(${CMAKE_CURRENT_BINARY_DIR}/version.c
+ PROPERTIES GENERATED true)
+endif (USE_VERSION_H)
+
+add_library(libgromacs ${LIBGROMACS_SOURCES})
+if (USE_VERSION_H)
+ add_dependencies(libgromacs gmx_version)
+endif (USE_VERSION_H)
+target_link_libraries(libgromacs
+ ${GMX_EXTRA_LIBRARIES} ${FFT_LIBRARIES} ${XML_LIBRARIES}
+ ${THREAD_LIB})
+set_target_properties(libgromacs PROPERTIES
+ OUTPUT_NAME "gromacs${GMX_LIBS_SUFFIX}"
+ SOVERSION ${SOVERSION}
+ INSTALL_NAME_DIR "${LIB_INSTALL_DIR}")
+
+install(TARGETS libgromacs DESTINATION ${LIB_INSTALL_DIR} COMPONENT libraries)
+
+configure_file(${CMAKE_CURRENT_SOURCE_DIR}/libgromacs.pc.cmakein
+ ${CMAKE_CURRENT_BINARY_DIR}/libgromacs.pc @ONLY)
+install(FILES ${CMAKE_CURRENT_BINARY_DIR}/libgromacs.pc
+ DESTINATION ${LIB_INSTALL_DIR}/pkgconfig
+ RENAME "libgromacs${GMX_LIBS_SUFFIX}.pc"
+ COMPONENT development)
--- /dev/null
- if(GMX_ASM_USEASM-NASM)
+include_directories(${CMAKE_CURRENT_SOURCE_DIR})
+
+# The nonbonded directory contains subdirectories that are only
+# conditionally built, so we cannot use a GLOB_RECURSE here.
+file(GLOB GMXLIB_SOURCES *.c
+ statistics/*.c nonbonded/*.c nonbonded/nb_kernel_c/*.c
+ nonbonded/nb_kernel_adress_c/*.c)
+
+if(GMX_DOUBLE)
+ set(SSETYPE sse2)
+else()
+ set(SSETYPE sse)
+endif()
+
+if(GMX_IA32_ASM)
+ file(GLOB GMX_SSEKERNEL_C_SRC nonbonded/nb_kernel_ia32_${SSETYPE}/*.c)
- if(GMX_ASM_USEASM-NASM)
++ if(GMX_ASM_USEASM_NASM)
+ file(GLOB GMX_SSEKERNEL_ASM_SRC nonbonded/nb_kernel_ia32_${SSETYPE}/*intel_syntax*.s)
+ else()
+ file(GLOB GMX_SSEKERNEL_ASM_SRC nonbonded/nb_kernel_ia32_${SSETYPE}/*${SSETYPE}.s nonbonded/nb_kernel_ia32_${SSETYPE}/*asm.s)
+ endif()
+endif(GMX_IA32_ASM)
+
+if(GMX_X86_64_ASM)
+ file(GLOB GMX_SSEKERNEL_C_SRC nonbonded/nb_kernel_x86_64_${SSETYPE}/*.c)
++ if(GMX_ASM_USEASM_NASM)
+ file(GLOB GMX_SSEKERNEL_ASM_SRC nonbonded/nb_kernel_x86_64_${SSETYPE}/*intel_syntax*.s)
+ else()
+ file(GLOB GMX_SSEKERNEL_ASM_SRC nonbonded/nb_kernel_x86_64_${SSETYPE}/*${SSETYPE}.s nonbonded/nb_kernel_x86_64_${SSETYPE}/*asm.s)
+ endif()
+endif(GMX_X86_64_ASM)
+
+if(GMX_FORTRAN)
+ if (GMX_DOUBLE)
+ file(GLOB FORTRAN_SOURCES nonbonded/nb_kernel_f77_double/*.[cf])
+ else(GMX_DOUBLE)
+ file(GLOB FORTRAN_SOURCES nonbonded/nb_kernel_f77_single/*.[cf])
+ endif(GMX_DOUBLE)
+endif(GMX_FORTRAN)
+
+if(GMX_POWER6)
+ file(GLOB FORTRAN_SOURCES nonbonded/nb_kernel_power6/*.[cF])
+endif(GMX_POWER6)
+
+if(GMX_BLUEGENE)
+ file(GLOB GMX_BLUEGENE_C_SRC nonbonded/nb_kernel_bluegene/*.c)
+endif(GMX_BLUEGENE)
+
+if(GMX_PPC_ALTIVEC)
+ file(GLOB GMX_PPC_ALTIVEC_SRC nonbonded/nb_kernel_ppc_altivec/*.c)
+endif(GMX_PPC_ALTIVEC)
+
+if(NOT GMX_EXTERNAL_BLAS)
+ file(GLOB BLAS_SOURCES gmx_blas/*.c)
+endif(NOT GMX_EXTERNAL_BLAS)
+
+if(NOT GMX_EXTERNAL_LAPACK)
+ file(GLOB LAPACK_SOURCES gmx_lapack/*.c)
+endif(NOT GMX_EXTERNAL_LAPACK)
+
+# This would be the standard way to include thread_mpi, but we want libgmx
+# to link the functions directly
+#if(GMX_THREADS)
+# add_subdirectory(thread_mpi)
+#endif(GMX_THREADS)
+#target_link_libraries(gmx ${GMX_EXTRA_LIBRARIES} ${THREAD_MPI_LIB})
+
+# Files called xxx_test.c are test drivers with a main() function for module xxx.c,
+# so they should not be included in the library
+file(GLOB_RECURSE NOT_GMXLIB_SOURCES *_test.c *\#*)
+list(REMOVE_ITEM GMXLIB_SOURCES ${NOT_GMXLIB_SOURCES})
+
+# An ugly hack to get absolute paths...
+file(GLOB THREAD_MPI_SOURCES ${THREAD_MPI_SRC})
+
+set(GMX_SSEKERNEL_ASM_SRC ${GMX_SSEKERNEL_ASM_SRC} PARENT_SCOPE)
+set(GMXLIB_SOURCES ${GMXLIB_SOURCES} ${BLAS_SOURCES} ${LAPACK_SOURCES}
+ ${GMX_SSEKERNEL_C_SRC} ${FORTRAN_SOURCES}
+ ${GMX_BLUEGENE_C_SRC} ${GMX_PPC_ALTIVEC_SRC} ${THREAD_MPI_SOURCES}
+ PARENT_SCOPE)