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ttadanottadano
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update CMakeLists.txt
1 parent 7f80c76 commit 07c9292

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4 files changed

+395
-83
lines changed

4 files changed

+395
-83
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‎CMakeLists.txt‎

Lines changed: 18 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -1,7 +1,25 @@
11
cmake_minimum_required(VERSION 3.17)
22

3+
if(POLICY CMP0144)
4+
cmake_policy(SET CMP0144 NEW)
5+
endif()
6+
if(POLICY CMP0167)
7+
cmake_policy(SET CMP0167 NEW)
8+
endif()
9+
310
project(ALAMODE)
411

12+
if(DEFINED ENV{CONDA_PREFIX})
13+
list(PREPEND CMAKE_PREFIX_PATH "$ENV{CONDA_PREFIX}")
14+
if(NOT CMAKE_BUILD_RPATH)
15+
set(CMAKE_BUILD_RPATH "$ENV{CONDA_PREFIX}/lib")
16+
endif()
17+
if(NOT CMAKE_INSTALL_RPATH)
18+
set(CMAKE_INSTALL_RPATH "$ENV{CONDA_PREFIX}/lib")
19+
endif()
20+
set(CMAKE_INSTALL_RPATH_USE_LINK_PATH TRUE)
21+
endif()
22+
523
add_subdirectory(alm)
624
add_subdirectory(anphon)
725
add_subdirectory(tools)

‎alm/CMakeLists.txt‎

Lines changed: 114 additions & 39 deletions
Original file line numberDiff line numberDiff line change
@@ -1,13 +1,14 @@
11
if(POLICY CMP0144)
22
cmake_policy(SET CMP0144 NEW)
33
endif()
4+
if(POLICY CMP0167)
5+
cmake_policy(SET CMP0167 NEW)
6+
endif()
47
cmake_minimum_required(VERSION 3.17)
58
set(CMAKE_CXX_STANDARD 17)
69
set(CMAKE_CXX_STANDARD_REQUIRED True)
710

811
set(CMAKE_MACOSX_RPATH 1)
9-
set(CMAKE_CXX_FLAGS_RELEASE "-O2")
10-
set(CMAKE_CXX_FLAGS_DEBUG "-g -Wall -O2 -D_DEBUG")
1112

1213
project(alm)
1314

@@ -18,27 +19,49 @@ set(alm_version ${CMAKE_MATCH_1})
1819
MESSAGE("Setting up for ALM code (ALAMODE version: ${CMAKE_MATCH_1})")
1920

2021
if (SPGLIB_ROOT)
21-
include_directories("${SPGLIB_ROOT}/include")
22-
set(spglib "-L${SPGLIB_ROOT}/lib -L${SPGLIB_ROOT}/lib64 -lsymspg")
22+
list(APPEND CMAKE_PREFIX_PATH "${SPGLIB_ROOT}")
23+
endif()
24+
25+
find_path(SPGLIB_INCLUDE_DIR spglib.h
26+
HINTS ${SPGLIB_ROOT}
27+
PATH_SUFFIXES include
28+
)
29+
find_library(SPGLIB_LIBRARY
30+
NAMES symspg spglib
31+
HINTS ${SPGLIB_ROOT}
32+
PATH_SUFFIXES lib lib64
33+
)
34+
35+
if (SPGLIB_INCLUDE_DIR AND SPGLIB_LIBRARY)
36+
set(spglib_include ${SPGLIB_INCLUDE_DIR})
37+
set(spglib ${SPGLIB_LIBRARY})
2338
else ()
24-
message("SPGLIB_ROOT is not given by -DSPGLIB_ROOT option. Just add -lsymspg.")
39+
message("SPGLIB not found via hints. Falling back to -lsymspg.")
2540
set(spglib "-lsymspg")
2641
endif ()
2742
#
2843
# Add openmp flag if available
2944
#
3045
find_package(OpenMP REQUIRED COMPONENTS CXX)
3146
if (OPENMP_FOUND)
32-
set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${OpenMP_CXX_FLAGS}")
3347
set(openmplibrary OpenMP::OpenMP_CXX)
3448
endif ()
3549

50+
if (BOOST_ROOT)
51+
list(APPEND CMAKE_PREFIX_PATH "${BOOST_ROOT}")
52+
endif()
3653
find_package(Boost)
3754
if (Boost_FOUND)
38-
include_directories(${Boost_INCLUDE_DIRS})
55+
if (TARGET Boost::boost)
56+
set(boost_target Boost::boost)
57+
elseif (TARGET Boost::headers)
58+
set(boost_target Boost::headers)
59+
else()
60+
set(boost_includes ${Boost_INCLUDE_DIRS})
61+
endif()
3962
else ()
4063
if (BOOST_INCLUDE)
41-
include_directories(${BOOST_INCLUDE})
64+
set(boost_includes ${BOOST_INCLUDE})
4265
else ()
4366
message(FATAL_ERROR "Boost was not found.
4467
Please specify the location of boost include directories
@@ -49,33 +72,39 @@ endif ()
4972
option(EIGEN3_ROOT "Path to Eigen3 installation" "")
5073

5174
if (EIGEN3_ROOT)
52-
set(CMAKE_PREFIX_PATH ${EIGEN3_ROOT})
53-
include_directories(${EIGEN3_ROOT}/include)
54-
else()
55-
find_package(Eigen3)
56-
if (Eigen3_FOUND)
57-
include_directories(${EIGEN3_INCLUDE_DIR})
75+
list(APPEND CMAKE_PREFIX_PATH "${EIGEN3_ROOT}")
76+
endif()
77+
find_package(Eigen3)
78+
if (Eigen3_FOUND)
79+
if (TARGET Eigen3::Eigen)
80+
set(eigen_target Eigen3::Eigen)
81+
else()
82+
set(eigen_includes ${EIGEN3_INCLUDE_DIR})
83+
endif()
84+
else ()
85+
if (EIGEN3_INCLUDE)
86+
set(eigen_includes ${EIGEN3_INCLUDE})
5887
else ()
59-
if (EIGEN3_INCLUDE)
60-
include_directories(${EIGEN3_INCLUDE})
61-
else ()
62-
message(FATAL_ERROR "Eigen3 was not found.
63-
Please specify the location of boost include directories
64-
via -DEIGEN3_INCLUDE option.")
65-
endif ()
88+
message(FATAL_ERROR "Eigen3 was not found.
89+
Please specify the location of boost include directories
90+
via -DEIGEN3_INCLUDE option.")
6691
endif ()
67-
endif()
92+
endif ()
6893

6994

7095

71-
add_definitions(-D_HDF5)
96+
if (HDF5_ROOT)
97+
list(APPEND CMAKE_PREFIX_PATH "${HDF5_ROOT}")
98+
endif()
7299
find_package(HDF5 COMPONENTS CXX)
73100
if (HDF5_FOUND)
74-
include_directories(${HDF5_INCLUDE_DIRS})
75101
set(hdf5library ${HDF5_LIBRARIES})
102+
if (TARGET HDF5::HDF5)
103+
set(hdf5_target HDF5::HDF5)
104+
endif()
76105
else ()
77106
if (HDF5_ROOT)
78-
include_directories("${HDF5_ROOT}/include")
107+
set(hdf5_include "${HDF5_ROOT}/include")
79108
set(hdf5library "-L${HDF5_ROOT}/lib -lhdf5_cpp -lhdf5")
80109
else ()
81110
message(FATAL_ERROR "HDF5 was not found.
@@ -84,8 +113,6 @@ else ()
84113
endif ()
85114
endif ()
86115

87-
include_directories("${PROJECT_SOURCE_DIR}/../external")
88-
89116
option(USE_MKL_BACKEND "Enable Intel MKL Pardiso" OFF)
90117
option(USE_ACCEL_BACKEND "Enable Apple Accelerate LDLT" OFF)
91118

@@ -108,19 +135,33 @@ elseif (USE_ACCEL_BACKEND)
108135
add_compile_definitions(USE_ACCEL_BACKEND EIGEN_USE_ACCELERATE)
109136
set( BACKEND_LIBS ${ACCELERATE_FRAMEWORK} )
110137
else()
138+
if (NOT BLA_VENDOR AND DEFINED ENV{CONDA_PREFIX})
139+
find_library(CONDA_OPENBLAS_LIB
140+
NAMES openblas openblas64
141+
HINTS "$ENV{CONDA_PREFIX}"
142+
PATH_SUFFIXES lib
143+
)
144+
if (CONDA_OPENBLAS_LIB)
145+
set(BLA_VENDOR OpenBLAS CACHE STRING "BLAS/LAPACK vendor" FORCE)
146+
endif()
147+
endif()
111148
find_package(BLAS REQUIRED)
112149
find_package(LAPACK REQUIRED)
113-
include_directories(${BLAS_INCLUDE_DIRS} ${LAPACK_INCLUDE_DIRS})
114-
set ( BACKEND_LIBS ${BLAS_LIBRARIES} ${LAPACK_LIBRARIES} )
150+
if (TARGET BLAS::BLAS)
151+
set(blas_target BLAS::BLAS)
152+
else()
153+
set(blas_target ${BLAS_LIBRARIES})
154+
endif()
155+
if (TARGET LAPACK::LAPACK)
156+
set(lapack_target LAPACK::LAPACK)
157+
else()
158+
set(lapack_target ${LAPACK_LIBRARIES})
159+
endif()
160+
set ( BACKEND_LIBS ${blas_target} ${lapack_target} )
115161
endif()
116162

117-
get_property(dirs DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR} PROPERTY INCLUDE_DIRECTORIES)
118-
foreach(dir ${dirs})
119-
message(STATUS "dir='${dir}'")
120-
endforeach()
121163

122164
# Source code
123-
include_directories("${PROJECT_SOURCE_DIR}/../include")
124165
set(SOURCES ${PROJECT_SOURCE_DIR}/alm.cpp
125166
${PROJECT_SOURCE_DIR}/cluster.cpp
126167
${PROJECT_SOURCE_DIR}/constraint.cpp
@@ -167,16 +208,31 @@ add_executable(alm ${PROJECT_SOURCE_DIR}/main.cpp
167208
${PROJECT_SOURCE_DIR}/alm_cui.cpp
168209
${SOURCES} ${HEADERS})
169210

170-
171-
if (EIGEN3_ROOT)
172-
target_include_directories(alm PRIVATE ${EIGEN3_ROOT}/include/eigen3)
173-
endif()
211+
target_compile_options(alm PRIVATE
212+
$<$<CONFIG:Release>:-O2>
213+
$<$<CONFIG:Debug>:-g -Wall -O2>
214+
)
215+
target_compile_definitions(alm PRIVATE
216+
$<$<CONFIG:Debug>:_DEBUG>
217+
_HDF5
218+
)
219+
target_include_directories(alm PRIVATE
220+
${PROJECT_SOURCE_DIR}/../include
221+
${PROJECT_SOURCE_DIR}/../external
222+
${spglib_include}
223+
${boost_includes}
224+
${eigen_includes}
225+
${hdf5_include}
226+
)
174227
target_link_libraries(alm
175228
# PRIVATE Eigen3::Eigen
229+
${boost_target}
230+
${eigen_target}
176231
${Boost_LIBRARIES}
177232
${BACKEND_LIBS}
178233
${spglib}
179234
${openmplibrary}
235+
${hdf5_target}
180236
${hdf5library}
181237
)
182238

@@ -185,13 +241,32 @@ if (BUILD_LIBRARIES)
185241
set(soserial "1")
186242
# Shared library
187243
add_library(almcxx SHARED ${SOURCES})
188-
target_link_libraries(almcxx ${BACKEND_LIBS} ${spglib} ${hdf5library})
244+
target_compile_definitions(almcxx PRIVATE _HDF5)
245+
target_include_directories(almcxx PRIVATE
246+
${PROJECT_SOURCE_DIR}/../include
247+
${PROJECT_SOURCE_DIR}/../external
248+
${spglib_include}
249+
${boost_includes}
250+
${eigen_includes}
251+
${hdf5_include}
252+
)
253+
target_link_libraries(almcxx ${boost_target} ${eigen_target} ${BACKEND_LIBS} ${spglib} ${hdf5_target} ${hdf5library})
189254
set_property(TARGET almcxx PROPERTY VERSION ${serial})
190255
set_property(TARGET almcxx PROPERTY SOVERSION ${soserial})
191256
install(TARGETS almcxx DESTINATION ${PROJECT_SOURCE_DIR}/lib)
192257

193258
# Static link library
194259
add_library(almcxx_static STATIC ${SOURCES})
260+
target_compile_definitions(almcxx_static PRIVATE _HDF5)
261+
target_include_directories(almcxx_static PRIVATE
262+
${PROJECT_SOURCE_DIR}/../include
263+
${PROJECT_SOURCE_DIR}/../external
264+
${spglib_include}
265+
${boost_includes}
266+
${eigen_includes}
267+
${hdf5_include}
268+
)
269+
target_link_libraries(almcxx_static ${boost_target} ${eigen_target})
195270
set_property(TARGET almcxx_static PROPERTY VERSION ${serial})
196271
set_property(TARGET almcxx_static PROPERTY SOVERSION ${soserial})
197272
set_property(TARGET almcxx_static PROPERTY OUTPUT_NAME almcxx)

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