forked from phoebe-team/phoebe
-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathCMakeLists.txt
196 lines (161 loc) · 6.77 KB
/
CMakeLists.txt
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
if(NOT CMAKE_BUILD_TYPE)
set(CMAKE_BUILD_TYPE "Release" CACHE
STRING "Choose the type of build." FORCE)
endif(NOT CMAKE_BUILD_TYPE)
if(Kokkos_ENABLE_CUDA)
set(Kokkos_ENABLE_CUDA_LAMBDA ON CACHE BOOL "don't touch")
set(CMAKE_CXX_COMPILER ${CMAKE_CURRENT_SOURCE_DIR}/lib/kokkos/bin/nvcc_wrapper)
endif()
cmake_minimum_required(VERSION 3.16)
set(CMAKE_CXX_STANDARD 14)
project(Phoebe LANGUAGES C CXX Fortran VERSION 1.0)
configure_file(src/main.h.in ../src/main.h)
## load custom cmake find_package
set(CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/cmake")
if(CMAKE_CXX_COMPILER_ID MATCHES GNU)
SET(GCC_COVERAGE_COMPILE_FLAGS "-Wall -Wextra -ggdb -fno-omit-frame-pointer -Wno-deprecated-copy -Wno-ignored-attributes")
add_definitions(${GCC_COVERAGE_COMPILE_FLAGS})
add_compile_options(-Wno-error=parentheses)
endif()
############ OPTIONS ################
# these can be toggled in a build script by
# supplying arguments to cmake like cmake -DHDF5_AVAIL=OFF ../
option(MPI_AVAIL "Build with MPI wrappers" ON)
option(OMP_AVAIL "Build with OMP" ON)
option(HDF5_AVAIL "Build with HDF5" ON)
option(HDF5_SERIAL "Force build to accomodate serial only HDF5, but still use MPI" OFF)
option(BUILD_DOC "Build documentation" ON)
############### SOURCE ###############
FILE(GLOB_RECURSE SOURCE_FILES src src/*.cpp)
list(REMOVE_ITEM SOURCE_FILES ${CMAKE_CURRENT_SOURCE_DIR}/src/main.cpp)
message(${CMAKE_CURRENT_SOURCE_DIR})
message(${SOURCE_FILES})
FILE(GLOB TEST_SOURCES test/*.cpp test/interaction3ph/*.cpp)
include_directories(src src/algebra src/apps src/bands src/bte src/constants src/harmonic src/interaction src/mpi src/observable src/parser src/points)
include(lib/CMakeLists.txt)
include(GoogleTest)
add_executable(phoebe src/main.cpp ${SOURCE_FILES})
add_executable(runTests ${TEST_SOURCES} ${SOURCE_FILES})
set_target_properties(runTests PROPERTIES EXCLUDE_FROM_ALL TRUE)
# dependencies
add_dependencies(phoebe spglib_dep pugixml_dep eigen_dep)
add_dependencies(runTests spglib_dep pugixml_dep eigen_dep)
target_link_libraries(phoebe symspg pugixml kokkos nlohmann_json::nlohmann_json)
enable_testing()
target_link_libraries(runTests symspg pugixml gtest_main kokkos nlohmann_json::nlohmann_json)
gtest_discover_tests(
runTests
WORKING_DIRECTORY ${CMAKE_SOURCE_DIR}
)
################ PARALLEL ####################
# build with MPI and scalapack
if (MPI_AVAIL)
find_package(MPI REQUIRED)
target_link_libraries(phoebe MPI::MPI_CXX)
target_link_libraries(runTests MPI::MPI_CXX)
add_definitions("-DMPI_AVAIL") # this sets turns on ifdefs for mpi in the cpp
find_library(SCALAPACK_LIB NAMES scalapack scalapack-openmpi mkl_scalapack_lp64 PATHS ENV LD_LIBRARY_PATH)
if(${SCALAPACK_LIB} MATCHES NOTFOUND)
ExternalProject_Add(scalapack_dep
BINARY_DIR ${CMAKE_CURRENT_BINARY_DIR}/scalapack_build
SOURCE_DIR ${CMAKE_CURRENT_BINARY_DIR}/scalapack_src
GIT_REPOSITORY https://github.com/Reference-ScaLAPACK/scalapack.git
INSTALL_COMMAND ""
UPDATE_COMMAND ""
CMAKE_ARGS
-DCMAKE_BUILD_TYPE=Release
-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
-DCMAKE_CXX_COMPILER=${CMAKE_CXX_COMPILER}
-DCMAKE_Fortran_COMPILER=${CMAKE_Fortran_COMPILER}
)
set(SCALAPACK_LIB scalapack)
message(WARNING "No SCALAPACK library found in CMAKE_LIBRARY_PATH, building our own.")
add_dependencies(phoebe scalapack_dep)
else()
if(${SCALAPACK_LIB} MATCHES mkl)
if("${MPI_CXX_LIBRARIES}" MATCHES openmpi)
find_library(BLACS_LIB NAMES mkl_blacs_openmpi_lp64 PATHS ENV LD_LIBRARY_PATH)
elseif("${MPI_CXX_LIBRARIES}" MATCHES intel)
find_library(BLACS_LIB NAMES mkl_blacs_intelmpi_lp64 PATHS ENV LD_LIBRARY_PATH)
else()
message(FATAL_ERROR "Confused by MPI library when looking for BLACS.")
endif()
if(${BLACS_LIB} MATCHES NOTFOUND)
message(FATAL_ERROR "Found Intel SCALAPACK but not BLACS")
endif()
message(STATUS "Found BLACS: ${BLACS_LIB}")
endif()
message(STATUS "Found SCALAPACK: ${SCALAPACK_LIB}")
endif()
find_package(BLAS REQUIRED)
find_package(LAPACK REQUIRED)
include_directories(${BLAS_INCLUDE_DIR})
include_directories(${LAPACK_INCLUDE_DIR})
## Very important to link scalapack before blas and lapack
target_link_libraries(phoebe ${SCALAPACK_LIB} ${BLACS_LIB} ${LAPACK_LIBRARIES} ${BLAS_LIBRARIES} -lgfortran)
target_link_libraries(runTests ${SCALAPACK_LIB} ${BLACS_LIB} ${LAPACK_LIBRARIES} ${BLAS_LIBRARIES} -lgfortran)
else()
set(HDF5_SERIAL ON)
## even for the serial version, we require lapack
find_package(BLAS REQUIRED)
find_package(LAPACK REQUIRED)
include_directories(${BLAS_INCLUDE_DIR})
include_directories(${LAPACK_INCLUDE_DIR})
target_link_libraries(phoebe ${LAPACK_LIBRARIES} ${BLAS_LIBRARIES} -lgfortran)
target_link_libraries(runTests ${LAPACK_LIBRARIES} ${BLAS_LIBRARIES} -lgfortran)
endif()
# build with openMP
if(OMP_AVAIL)
find_package(OpenMP)
target_link_libraries(phoebe OpenMP::OpenMP_CXX)
target_link_libraries(runTests OpenMP::OpenMP_CXX)
add_definitions("-DOMP_AVAIL")
endif()
# build with HDF5
if(HDF5_AVAIL)
if(HDF5_SERIAL)
add_definitions("-DHDF5_SERIAL")
else()
set(HDF5_PREFER_PARALLEL TRUE)
endif()
add_dependencies(phoebe highfive_dep)
add_dependencies(runTests highfive_dep)
find_package(HDF5 REQUIRED)
target_link_libraries(phoebe ${HDF5_LIBRARIES})
target_link_libraries(runTests ${HDF5_LIBRARIES})
include_directories(${HDF5_INCLUDE_DIRS})
add_definitions("-DHDF5_AVAIL")
endif()
############# DOCS ############
find_package(Doxygen)
find_package(Sphinx)
IF (BUILD_DOC)
IF (NOT DOXYGEN_FOUND)
message("Doxygen need to be installed to generate the doxygen documentation")
else()
# set input and output files
set(DOXYGEN_IN ${CMAKE_CURRENT_SOURCE_DIR}/doc/doxygen/Doxyfile)
set(DOXYGEN_OUT ${CMAKE_CURRENT_BINARY_DIR}/doc/doxygen/Doxyfile.out)
# request to configure the file
configure_file(${DOXYGEN_IN} ${DOXYGEN_OUT} @ONLY)
message("Doxygen configured")
# note the option ALL which allows to build the docs together with the application
add_custom_target(
docDevel
COMMAND ${DOXYGEN_EXECUTABLE} ${DOXYGEN_IN}
WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/../doc/doxygen
COMMENT "Generating API documentation with Doxygen"
VERBATIM)
IF (NOT SPHINX_FOUND)
message("Documentation needs also sphinx")
else()
add_custom_target(
doc
COMMAND make html
WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/../doc/sphinx
COMMENT "Building user documentation with Sphinx"
VERBATIM)
add_dependencies(doc docDevel)
endif()
ENDIF()
endif()