CMakeLists.txt 17.8 KB
Newer Older
1
#---------------------------------------------------
2
# OpenMM
3
#
peastman's avatar
peastman committed
4
# Creates OpenMM library.
5
6
#
# Windows:
peastman's avatar
peastman committed
7
8
9
#   OpenMM.dll
#   OpenMM.lib
#   OpenMM_static.lib
10
# Unix:
peastman's avatar
peastman committed
11
12
#   libOpenMM.so
#   libOpenMM_static.a
13
14
#----------------------------------------------------

Robert McGibbon's avatar
Robert McGibbon committed
15
16
find_package(PythonInterp)
mark_as_advanced(CLEAR PYTHON_EXECUTABLE)
17

18
19
20
21
22
23
# Don't create a new project name if this is part of a mega-build from the
# parent directory
IF( NOT PROJECT_NAME )
    PROJECT (OpenMM)
ENDIF( NOT PROJECT_NAME )

peastman's avatar
peastman committed
24
25
26
27
28
CMAKE_MINIMUM_REQUIRED(VERSION 3.1)
CMAKE_POLICY(SET CMP0042 OLD)
CMAKE_POLICY(SET CMP0003 NEW)
CMAKE_POLICY(SET CMP0005 NEW)
CMAKE_POLICY(SET CMP0011 NEW)
29

peastman's avatar
peastman committed
30
31
32
INCLUDE(Dart)
MARK_AS_ADVANCED(DART_ROOT)

33
34
35
36
# We have custom cmake modules for FindOpenMM and running python tests
SET(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} "${CMAKE_SOURCE_DIR}/cmake_modules")

# Where to install
37
IF(WIN32)
38
    IF(NOT OPENMM_INSTALL_PREFIX)
39
        SET(OPENMM_INSTALL_PREFIX "$ENV{ProgramFiles}/OpenMM")
40
    ENDIF(NOT OPENMM_INSTALL_PREFIX)
41
ELSE(WIN32)
42
    IF(NOT OPENMM_INSTALL_PREFIX)
43
        SET(OPENMM_INSTALL_PREFIX "/usr/local/openmm")
44
    ENDIF(NOT OPENMM_INSTALL_PREFIX)
45
ENDIF(WIN32)
46

Robert McGibbon's avatar
Robert McGibbon committed
47
48
49
50
IF(WIN32)
    ADD_DEFINITIONS(-DWIN32)
ENDIF(WIN32)

51
52
53
# What type of libraries to build
SET(OPENMM_BUILD_SHARED_LIB ON CACHE BOOL "Whether to build shared OpenMM libraries")
SET(OPENMM_BUILD_STATIC_LIB OFF CACHE BOOL "Whether to build static OpenMM libraries")
Robert McGibbon's avatar
Robert McGibbon committed
54

55
56
57
58
59
# Include CPU-Features for Android
IF (ANDROID)
    INCLUDE_DIRECTORIES(${ANDROID_NDK}/sources/cpufeatures)
ENDIF (ANDROID)

60
61
62
# It seems that on linux and mac, everything is trying to be installed in /usr/local/openmm
# But if every install target is prefixed with /openmm/, on Windows the install files
# end up in C:/Program Files/OpenMM/openmm/ which is ugly.
63
# Better to set CMAKE_INSTALL_PREFIX to /usr/local/openmm and leave /openmm/ off the
64
65
66
67
68
69
70
71
# install target names.  Plus, the user now has the opportunity to install into /usr/local/
# if she so chooses.  --cmb
IF(${CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT})
  SET(CMAKE_INSTALL_PREFIX ${OPENMM_INSTALL_PREFIX} CACHE PATH "Where to install OpenMM" FORCE)
ENDIF(${CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT})

# The source is organized into subdirectories, but we handle them all from
# this CMakeLists file rather than letting CMake visit them as SUBDIRS.
Peter Eastman's avatar
Peter Eastman committed
72
SET(OPENMM_SOURCE_SUBDIRS . openmmapi olla libraries/jama libraries/quern libraries/lepton libraries/sfmt libraries/lbfgs libraries/hilbert libraries/csha1 platforms/reference serialization libraries/irrxml libraries/vecmath)
73
74
75
IF(WIN32)
    SET(OPENMM_SOURCE_SUBDIRS ${OPENMM_SOURCE_SUBDIRS} libraries/pthreads)
ELSE(WIN32)
76
77
78
79
80
    IF (NOT ANDROID)
        SET(PTHREADS_LIB pthread)
        # in linux, even in static builds we link against the dynamic object (since its tied to libc versions)
        SET(PTHREADS_LIB_STATIC pthread)
    ENDIF (NOT ANDROID)
81
82
ENDIF(WIN32)

peastman's avatar
peastman committed
83
SET (CMAKE_CXX_STANDARD 11)
84

85
IF (APPLE AND (NOT PNACL))
86
    # Build 64 bit binaries compatible with OS X 10.7
87
88
89
90
    IF (NOT CMAKE_OSX_DEPLOYMENT_TARGET)
        SET (CMAKE_OSX_DEPLOYMENT_TARGET "10.7" CACHE STRING "The minimum version of OS X to support" FORCE)
    ENDIF (NOT CMAKE_OSX_DEPLOYMENT_TARGET)
    IF (NOT CMAKE_OSX_ARCHITECTURES)
91
        SET (CMAKE_OSX_ARCHITECTURES "x86_64" CACHE STRING "The processor architectures to build for" FORCE)
92
    ENDIF (NOT CMAKE_OSX_ARCHITECTURES)
93
    IF (NOT CMAKE_OSX_SYSROOT)
Robert McGibbon's avatar
Robert McGibbon committed
94
        EXECUTE_PROCESS(COMMAND "xcrun" "--show-sdk-path" OUTPUT_VARIABLE XCRUN_OSX_SYSROOT RESULT_VARIABLE XCRUN_OSX_SYSROOT_STATUS OUTPUT_STRIP_TRAILING_WHITESPACE)
95
96
97
98
99
100
        IF (XCRUN_OSX_SYSROOT_STATUS EQUAL 0)
            SET (CMAKE_OSX_SYSROOT "${XCRUN_OSX_SYSROOT}" CACHE STRING "SDK Path" FORCE)
        ENDIF (XCRUN_OSX_SYSROOT_STATUS EQUAL 0)
        UNSET(XCRUN_OSX_SYSROOT)
        UNSET(XCRUN_OSX_SYSROOT_STATUS)
    ENDIF (NOT CMAKE_OSX_SYSROOT)
101
102

    # Improve the linking behavior of Mac libraries
103
    SET (CMAKE_INSTALL_NAME_DIR "@rpath")
104
    SET(EXTRA_COMPILE_FLAGS "-msse2 -stdlib=libc++")
105
ELSE (APPLE AND (NOT PNACL))
106
    IF (MSVC OR ANDROID OR PNACL)
107
        SET(EXTRA_COMPILE_FLAGS)
108
        IF (MSVC)
109
            # Use warning level 2, not whatever warning level CMake picked.
110
            STRING(REGEX REPLACE "/W[0-4]" "/W2" CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS}")
111
112
            # Explicitly suppress warnings 4305 and 4244.
            SET(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} /wd4305 /wd4244")
113
        ENDIF (MSVC)
114
    ELSE (MSVC OR ANDROID OR PNACL)
115
        SET(EXTRA_COMPILE_FLAGS "-msse2")
116
    ENDIF (MSVC OR ANDROID OR PNACL)
117
ENDIF (APPLE AND (NOT PNACL))
118

119
120
121
122
123
124
125
126
127
IF(UNIX AND NOT CMAKE_BUILD_TYPE)
    SET(CMAKE_BUILD_TYPE Release CACHE STRING "Debug or Release build" FORCE)
ENDIF (UNIX AND NOT CMAKE_BUILD_TYPE)

IF (NOT CMAKE_CXX_FLAGS_DEBUG)
    SET(CMAKE_CXX_FLAGS_DEBUG "-g" CACHE STRING "To use when CMAKE_BUILD_TYPE=Debug" FORCE)
ENDIF (NOT CMAKE_CXX_FLAGS_DEBUG)

IF (NOT CMAKE_CXX_FLAGS_RELEASE)
128
129
130
131
    IF (ANDROID)
        SET(CMAKE_CXX_FLAGS_RELEASE "-mfloat-abi=softfp -march=armv7-a -mfpu=neon -funsafe-math-optimizations -O3 -DNDEBUG" CACHE STRING
        "To use when CMAKE_BUILD_TYPE=Release" FORCE)
    ELSE (ANDROID)
132
        SET(CMAKE_CXX_FLAGS_RELEASE "-O3 -DNDEBUG" CACHE STRING
133
134
        "To use when CMAKE_BUILD_TYPE=Release" FORCE)
    ENDIF (ANDROID)
135
136
137
138
139
140
141
142
ENDIF (NOT CMAKE_CXX_FLAGS_RELEASE)



# Collect up information about the version of the OpenMM library we're building
# and make it available to the code so it can be built into the binaries.

SET(OPENMM_LIBRARY_NAME OpenMM)
Peter Eastman's avatar
Peter Eastman committed
143
SET(OPENMM_MAJOR_VERSION 7)
jchodera's avatar
jchodera committed
144
SET(OPENMM_MINOR_VERSION 2)
peastman's avatar
peastman committed
145
SET(OPENMM_BUILD_VERSION 1)
146
147
148
149

ADD_DEFINITIONS(-DOPENMM_LIBRARY_NAME=${OPENMM_LIBRARY_NAME}
                -DOPENMM_MAJOR_VERSION=${OPENMM_MAJOR_VERSION}
                -DOPENMM_MINOR_VERSION=${OPENMM_MINOR_VERSION}
150
                -DOPENMM_BUILD_VERSION=${OPENMM_BUILD_VERSION})
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168

# -DOPENMM_TYPE has to be defined in the target subdirectories.
# -Dsimbody_EXPORTS defined automatically when Windows DLL build is being done.

# Report the version number to the CMake UI
SET(OPENMM_VERSION
    "${OPENMM_MAJOR_VERSION}.${OPENMM_MINOR_VERSION}.${OPENMM_BUILD_VERSION}"
     CACHE STRING "This is the version of OpenMM which will be built." FORCE)
# We don't actually use this version for anything yet
MARK_AS_ADVANCED(OPENMM_VERSION)

SET(SHARED_TARGET ${OPENMM_LIBRARY_NAME})
SET(STATIC_TARGET ${OPENMM_LIBRARY_NAME}_static)


## If no one says otherwise, change the executable path to drop into the same binary
## location as the DLLs so that the test cases will use the just-build DLLs.
IF(NOT EXECUTABLE_OUTPUT_PATH)
169
  SET(EXECUTABLE_OUTPUT_PATH ${PROJECT_BINARY_DIR}
170
171
172
      CACHE INTERNAL "Single output directory for building all executables.")
ENDIF(NOT EXECUTABLE_OUTPUT_PATH)
IF(NOT LIBRARY_OUTPUT_PATH)
173
  SET(LIBRARY_OUTPUT_PATH ${PROJECT_BINARY_DIR}
174
175
176
177
178
179
180
181
182
183
184
185
186
187
      CACHE INTERNAL "Single output directory for building all libraries.")
ENDIF(NOT LIBRARY_OUTPUT_PATH)
SET(${PROJECT_NAME}_EXECUTABLE_DIR ${EXECUTABLE_OUTPUT_PATH}/${CMAKE_CFG_INTDIR})
SET(${PROJECT_NAME}_LIBRARY_DIR    ${LIBRARY_OUTPUT_PATH}/${CMAKE_CFG_INTDIR})

# used by plugin
SET(OPENMM_DIR ${CMAKE_CURRENT_SOURCE_DIR})

# These are all the places to search for header files which are
# to be part of the API.
SET(API_INCLUDE_DIRS) # start empty
FOREACH(subdir ${OPENMM_SOURCE_SUBDIRS})
    # append
    SET(API_INCLUDE_DIRS ${API_INCLUDE_DIRS}
188
                         ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/include
189
190
191
192
193
194
195
196
197
198
                         ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/include/openmm
                         ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/include/openmm/internal)
ENDFOREACH(subdir)

# We'll need both *relative* path names, starting with their API_INCLUDE_DIRS,
# and absolute pathnames.
SET(API_REL_INCLUDE_FILES)   # start these out empty
SET(API_ABS_INCLUDE_FILES)

FOREACH(dir ${API_INCLUDE_DIRS})
199
    FILE(GLOB fullpaths ${dir}/*.h) # returns full pathnames
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
    SET(API_ABS_INCLUDE_FILES ${API_ABS_INCLUDE_FILES} ${fullpaths})

    FOREACH(pathname ${fullpaths})
        GET_FILENAME_COMPONENT(filename ${pathname} NAME)
        SET(API_REL_INCLUDE_FILES ${API_REL_INCLUDE_FILES} ${dir}/${filename})
    ENDFOREACH(pathname)
ENDFOREACH(dir)

# collect up source files
SET(SOURCE_FILES) # empty
SET(SOURCE_INCLUDE_FILES)

FOREACH(subdir ${OPENMM_SOURCE_SUBDIRS})
    FILE(GLOB src_files  ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/src/*.cpp ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/src/*/*.cpp)
    FILE(GLOB incl_files ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/src/*.h)
    SET(SOURCE_FILES         ${SOURCE_FILES}         ${src_files})   #append
    SET(SOURCE_INCLUDE_FILES ${SOURCE_INCLUDE_FILES} ${incl_files})

    ## Make sure we find these locally before looking in OpenMM/include if
    ## OpenMM was previously installed there.
    INCLUDE_DIRECTORIES(BEFORE ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/include)
ENDFOREACH(subdir)
222
IF (ANDROID OR PNACL)
223
    SET_SOURCE_FILES_PROPERTIES(${CMAKE_SOURCE_DIR}/libraries/sfmt/src/SFMT.cpp PROPERTIES COMPILE_FLAGS "-UHAVE_SSE2")
224
ELSE (ANDROID OR PNACL)
225
    SET_SOURCE_FILES_PROPERTIES(${CMAKE_SOURCE_DIR}/libraries/sfmt/src/SFMT.cpp PROPERTIES COMPILE_FLAGS "-DHAVE_SSE2=1")
226
ENDIF(ANDROID OR PNACL)
227
IF (NOT (ANDROID OR PNACL OR (WIN32 AND OPENMM_BUILD_STATIC_LIB)))
228
229
230
231
232
233
    FILE(GLOB src_files ${CMAKE_CURRENT_SOURCE_DIR}/libraries/asmjit/*/*.cpp)
    FILE(GLOB incl_files ${CMAKE_CURRENT_SOURCE_DIR}/libraries/asmjit/*.h)
    SET(SOURCE_FILES ${SOURCE_FILES} ${src_files})
    SET(SOURCE_INCLUDE_FILES ${SOURCE_INCLUDE_FILES} ${incl_files})
    INCLUDE_DIRECTORIES(BEFORE "${CMAKE_CURRENT_SOURCE_DIR}/libraries/asmjit")
    SET(EXTRA_COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -DLEPTON_USE_JIT")
peastman's avatar
peastman committed
234
ENDIF (NOT (ANDROID OR PNACL OR (WIN32 AND OPENMM_BUILD_STATIC_LIB)))
235
236

# If API wrappers are being generated, and add them to the build.
237
SET(OPENMM_BUILD_C_AND_FORTRAN_WRAPPERS ON CACHE BOOL "Build wrappers for C and Fortran")
238
239
240
241
242
243
244
245
IF(OPENMM_BUILD_C_AND_FORTRAN_WRAPPERS)
    ADD_SUBDIRECTORY(wrappers)
    SET(SOURCE_FILES ${SOURCE_FILES} wrappers/OpenMMCWrapper.cpp  wrappers/OpenMMFortranWrapper.cpp)
    SET_SOURCE_FILES_PROPERTIES(wrappers/OpenMMCWrapper.cpp wrappers/OpenMMFortranWrapper.cpp PROPERTIES GENERATED TRUE)
ENDIF(OPENMM_BUILD_C_AND_FORTRAN_WRAPPERS)

INCLUDE_DIRECTORIES(BEFORE ${CMAKE_CURRENT_SOURCE_DIR}/src)

peastman's avatar
peastman committed
246
247
SET(EXTRA_LINK_FLAGS ${EXTRA_COMPILE_FLAGS})
IF (CMAKE_SYSTEM_NAME MATCHES "Linux")
peastman's avatar
peastman committed
248
249
250
    IF (NOT ANDROID)
        SET(EXTRA_LINK_FLAGS "${EXTRA_LINK_FLAGS} -Wl,--no-as-needed -lrt")
    ENDIF (NOT ANDROID)
peastman's avatar
peastman committed
251
ENDIF (CMAKE_SYSTEM_NAME MATCHES "Linux")
252
253
254
IF (MSVC)
    SET(EXTRA_LINK_FLAGS)
ENDIF (MSVC)
peastman's avatar
peastman committed
255

256
257
IF(OPENMM_BUILD_SHARED_LIB)
    ADD_LIBRARY(${SHARED_TARGET} SHARED ${SOURCE_FILES} ${SOURCE_INCLUDE_FILES} ${API_ABS_INCLUDE_FILES})
Peter Eastman's avatar
Peter Eastman committed
258
    SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_LINK_FLAGS}" COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -DOPENMM_BUILDING_SHARED_LIBRARY -DLEPTON_BUILDING_SHARED_LIBRARY -DPTHREAD_BUILDING_SHARED_LIBRARY")
259
ENDIF(OPENMM_BUILD_SHARED_LIB)
260
261
262

IF(OPENMM_BUILD_STATIC_LIB)
    ADD_LIBRARY(${STATIC_TARGET} STATIC ${SOURCE_FILES} ${SOURCE_INCLUDE_FILES} ${API_ABS_INCLUDE_FILES})
Yutong Zhao's avatar
Yutong Zhao committed
263
    SET(EXTRA_COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -DOPENMM_USE_STATIC_LIBRARIES -DLEPTON_USE_STATIC_LIBRARIES -DPTW32_STATIC_LIB")
Peter Eastman's avatar
Peter Eastman committed
264
    SET_TARGET_PROPERTIES(${STATIC_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_LINK_FLAGS}" COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -DOPENMM_BUILDING_STATIC_LIBRARY -DLEPTON_BUILDING_STATIC_LIBRARY -DPTHREAD_BUILDING_STATIC_LIBRARY")
265
266
267
268
269
270
271
272
273
274
275
276
ENDIF(OPENMM_BUILD_STATIC_LIB)

IF(OPENMM_BUILD_C_AND_FORTRAN_WRAPPERS)
    ADD_DEPENDENCIES(${SHARED_TARGET} ApiWrappers)
    IF(OPENMM_BUILD_STATIC_LIB)
        ADD_DEPENDENCIES(${STATIC_TARGET} ApiWrappers)
    ENDIF(OPENMM_BUILD_STATIC_LIB)
ENDIF(OPENMM_BUILD_C_AND_FORTRAN_WRAPPERS)

# On Linux need to link to libdl
FIND_LIBRARY(DL_LIBRARY dl)
IF(DL_LIBRARY)
277
278
279
    IF(OPENMM_BUILD_SHARED_LIB)
        TARGET_LINK_LIBRARIES(${SHARED_TARGET} ${DL_LIBRARY} ${PTHREADS_LIB})
    ENDIF(OPENMM_BUILD_SHARED_LIB)
280
281
282
283
    IF(OPENMM_BUILD_STATIC_LIB)
        TARGET_LINK_LIBRARIES(${STATIC_TARGET} ${DL_LIBRARY} ${PTHREADS_LIB})
    ENDIF(OPENMM_BUILD_STATIC_LIB)
    MARK_AS_ADVANCED(DL_LIBRARY)
284
ELSE(DL_LIBRARY)
285
286
287
288
289
290
291
    IF(OPENMM_BUILD_SHARED_LIB)
        IF (ANDROID)
            TARGET_LINK_LIBRARIES(${SHARED_TARGET} ${PTHREADS_LIB} cpufeatures)
        ELSE (ANDROID)
            TARGET_LINK_LIBRARIES(${SHARED_TARGET} ${PTHREADS_LIB})
        ENDIF (ANDROID)
    ENDIF(OPENMM_BUILD_SHARED_LIB)
292
293
ENDIF(DL_LIBRARY)

294
IF(BUILD_TESTING)
Peter Eastman's avatar
Peter Eastman committed
295
    INCLUDE_DIRECTORIES(${CMAKE_SOURCE_DIR}/tests)
296
ENDIF(BUILD_TESTING)
297

298
299
300
301
302
303
set(OPENMM_BUILD_REFERENCE_TESTS TRUE CACHE BOOL "Whether to build Reference platform test cases")
MARK_AS_ADVANCED(OPENMM_BUILD_REFERENCE_TESTS)
IF(BUILD_TESTING AND OPENMM_BUILD_REFERENCE_TESTS)
    ADD_SUBDIRECTORY(platforms/reference/tests)
ENDIF(BUILD_TESTING AND OPENMM_BUILD_REFERENCE_TESTS)

Peter Eastman's avatar
Peter Eastman committed
304
# CUDA platform
305
306
307
308
309
310
311
312
313
314

FIND_PACKAGE(CUDA QUIET)
IF(CUDA_FOUND)
    SET(OPENMM_BUILD_CUDA_LIB ON CACHE BOOL "Build OpenMMCuda library for Nvidia GPUs")
ELSE(CUDA_FOUND)
    SET(OPENMM_BUILD_CUDA_LIB OFF CACHE BOOL "Build OpenMMCuda library for Nvidia GPUs")
ENDIF(CUDA_FOUND)
IF(OPENMM_BUILD_CUDA_LIB)
    ADD_SUBDIRECTORY(platforms/cuda)
ENDIF(OPENMM_BUILD_CUDA_LIB)
Peter Eastman's avatar
Peter Eastman committed
315
316

# OpenCL platform
317
318

FIND_PACKAGE(OpenCL QUIET)
319
IF(OPENCL_FOUND)
320
    SET(OPENMM_BUILD_OPENCL_LIB ON CACHE BOOL "Build OpenMMOpenCL library")
321
ELSE(OPENCL_FOUND)
322
    SET(OPENMM_BUILD_OPENCL_LIB OFF CACHE BOOL "Build OpenMMOpenCL library")
323
ENDIF(OPENCL_FOUND)
324
325
326
327
IF(OPENMM_BUILD_OPENCL_LIB)
    ADD_SUBDIRECTORY(platforms/opencl)
ENDIF(OPENMM_BUILD_OPENCL_LIB)

328
329
330
331
332
333
334
# Optimized CPU platform

SET(OPENMM_BUILD_CPU_LIB ON CACHE BOOL "Build optimized CPU platform")
IF(OPENMM_BUILD_CPU_LIB)
   ADD_SUBDIRECTORY(platforms/cpu)
ENDIF(OPENMM_BUILD_CPU_LIB)

335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
# Amoeba plugin

SET(OPENMM_BUILD_AMOEBA_PLUGIN ON CACHE BOOL "Build Amoeba plugin")
SET(OPENMM_BUILD_AMOEBA_PATH)
IF(OPENMM_BUILD_AMOEBA_PLUGIN)
   SET(OPENMM_BUILD_AMOEBA_PATH ${CMAKE_CURRENT_SOURCE_DIR}/plugins/amoeba)
   ADD_SUBDIRECTORY(plugins/amoeba)
ENDIF(OPENMM_BUILD_AMOEBA_PLUGIN)

# RPMD plugin

SET(OPENMM_BUILD_RPMD_PLUGIN ON CACHE BOOL "Build RPMD plugin")
SET(OPENMM_BUILD_RPMD_PATH)
IF(OPENMM_BUILD_RPMD_PLUGIN)
   SET(OPENMM_BUILD_RPMD_PATH ${CMAKE_CURRENT_SOURCE_DIR}/plugins/rpmd)
   ADD_SUBDIRECTORY(plugins/rpmd)
ENDIF(OPENMM_BUILD_RPMD_PLUGIN)

353
354
355
356
357
358
359
360
361
# Drude plugin

SET(OPENMM_BUILD_DRUDE_PLUGIN ON CACHE BOOL "Build Drude plugin")
SET(OPENMM_BUILD_DRUDE_PATH)
IF(OPENMM_BUILD_DRUDE_PLUGIN)
   SET(OPENMM_BUILD_DRUDE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/plugins/drude)
   ADD_SUBDIRECTORY(plugins/drude)
ENDIF(OPENMM_BUILD_DRUDE_PLUGIN)

peastman's avatar
peastman committed
362
363
# CPU PME plugin

364
365
366
367
368
369
FIND_PACKAGE(FFTW QUIET)
IF(FFTW_FOUND)
    SET(OPENMM_BUILD_PME_PLUGIN ON CACHE BOOL "Build CPU PME plugin")
ELSE(FFTW_FOUND)
    SET(OPENMM_BUILD_PME_PLUGIN OFF CACHE BOOL "Build CPU PME plugin")
ENDIF(FFTW_FOUND)
peastman's avatar
peastman committed
370
371
372
373
374
375
SET(OPENMM_BUILD_PME_PATH)
IF(OPENMM_BUILD_PME_PLUGIN)
   SET(OPENMM_BUILD_PME_PATH ${CMAKE_CURRENT_SOURCE_DIR}/plugins/cpupme)
   ADD_SUBDIRECTORY(plugins/cpupme)
ENDIF(OPENMM_BUILD_PME_PLUGIN)

376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
# CUDA compiler plugin

GET_FILENAME_COMPONENT(CUDA_LIB_DIR "${CUDA_cufft_LIBRARY}" PATH)
FIND_LIBRARY(CUDA_nvrtc_LIBRARY nvrtc "${CUDA_LIB_DIR}")
IF(CUDA_nvrtc_LIBRARY)
    SET(OPENMM_BUILD_CUDA_COMPILER_PLUGIN ON CACHE BOOL "Build CUDA runtime compiler plugin")
ELSE(CUDA_nvrtc_LIBRARY)
    SET(OPENMM_BUILD_CUDA_COMPILER_PLUGIN OFF CACHE BOOL "Build CUDA runtime compiler plugin")
ENDIF(CUDA_nvrtc_LIBRARY)
SET(OPENMM_BUILD_CUDACOMPILER_PATH)
IF(OPENMM_BUILD_CUDA_COMPILER_PLUGIN)
   SET(OPENMM_BUILD_CUDACOMPILER_PATH ${CMAKE_CURRENT_SOURCE_DIR}/plugins/cudacompiler)
   ADD_SUBDIRECTORY(plugins/cudacompiler)
ENDIF(OPENMM_BUILD_CUDA_COMPILER_PLUGIN)

391
392
393
IF(OPENMM_BUILD_SHARED_LIB)
    INSTALL_TARGETS(/lib RUNTIME_DIRECTORY /lib ${SHARED_TARGET})
ENDIF(OPENMM_BUILD_SHARED_LIB)
394
395
396
397
398
399
IF(OPENMM_BUILD_STATIC_LIB)
  INSTALL_TARGETS(/lib RUNTIME_DIRECTORY /lib ${STATIC_TARGET})
ENDIF(OPENMM_BUILD_STATIC_LIB)
FILE(GLOB CORE_HEADERS     include/*.h          */include/*.h)
FILE(GLOB TOP_HEADERS      include/openmm/*.h          */include/openmm/*.h)
FILE(GLOB INTERNAL_HEADERS include/openmm/internal/*.h */include/openmm/internal/*.h )
400
FILE(GLOB REFERENCE_HEADERS platforms/reference/include/*.h)
peastman's avatar
peastman committed
401
FILE(GLOB LEPTON_HEADERS   libraries/lepton/include/lepton/*.h)
Robert McGibbon's avatar
Robert McGibbon committed
402
FILE(GLOB SFMT_HEADERS     libraries/sfmt/include/sfmt/SFMT.h)
403
404
405
INSTALL_FILES(/include                 FILES ${CORE_HEADERS})
INSTALL_FILES(/include/openmm          FILES ${TOP_HEADERS})
INSTALL_FILES(/include/openmm/internal FILES ${INTERNAL_HEADERS})
406
INSTALL_FILES(/include/openmm/reference FILES ${REFERENCE_HEADERS})
peastman's avatar
peastman committed
407
INSTALL_FILES(/include/lepton          FILES ${LEPTON_HEADERS})
Robert McGibbon's avatar
Robert McGibbon committed
408
INSTALL_FILES(/include/sfmt            FILES ${SFMT_HEADERS})
409
410
411

# Serialization support

412
413
ADD_SUBDIRECTORY(serialization)
FILE(GLOB serialization_files  ${CMAKE_SOURCE_DIR}/serialization/src/*.cpp)
Peter Eastman's avatar
Peter Eastman committed
414
SET_SOURCE_FILES_PROPERTIES(${serialization_files} PROPERTIES COMPILE_FLAGS "-DOPENMM_BUILDING_SHARED_LIBRARY -DIEEE_8087")
415
416
417

# Python wrappers

418
SET(OPENMM_BUILD_PYTHON_WRAPPERS ON CACHE BOOL "Build wrappers for Python")
419
420
421
422
IF(OPENMM_BUILD_PYTHON_WRAPPERS)
    IF(NOT OPENMM_BUILD_AMOEBA_PLUGIN)
        MESSAGE(SEND_ERROR "The Python wrappers require that the AMOEBA plugin be built.")
    ENDIF(NOT OPENMM_BUILD_AMOEBA_PLUGIN)
423
424
425
    IF(NOT OPENMM_BUILD_RPMD_PLUGIN)
        MESSAGE(SEND_ERROR "The Python wrappers require that the RPMD plugin be built.")
    ENDIF(NOT OPENMM_BUILD_RPMD_PLUGIN)
426
427
428
    IF(NOT OPENMM_BUILD_DRUDE_PLUGIN)
        MESSAGE(SEND_ERROR "The Python wrappers require that the Drude plugin be built.")
    ENDIF(NOT OPENMM_BUILD_DRUDE_PLUGIN)
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
    ADD_SUBDIRECTORY(wrappers/python)
ENDIF(OPENMM_BUILD_PYTHON_WRAPPERS)

#
# Testing
#

ENABLE_TESTING()

IF (EXECUTABLE_OUTPUT_PATH)
  SET (TEST_PATH ${EXECUTABLE_OUTPUT_PATH})
ELSE (EXECUTABLE_OUTPUT_PATH)
  SET (TEST_PATH .)
ENDIF (EXECUTABLE_OUTPUT_PATH)

peastman's avatar
peastman committed
444
ADD_SUBDIRECTORY(docs-source)
445
446
447
IF(BUILD_TESTING)
    ADD_SUBDIRECTORY(tests)
ENDIF(BUILD_TESTING)
448
449
450
451
452

SET(OPENMM_BUILD_EXAMPLES ON CACHE BOOL "Build example executables")
IF(OPENMM_BUILD_EXAMPLES)
  ADD_SUBDIRECTORY(examples)
ENDIF(OPENMM_BUILD_EXAMPLES)