Add nblib sample script
[alexxy/gromacs.git] / api / nblib / CMakeLists.txt
1 #
2 # This file is part of the GROMACS molecular simulation package.
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34 #
35 # \author Victor Holanda <victor.holanda@cscs.ch>
36 # \author Joe Jordan <ejjordan@kth.se>
37 # \author Prashanth Kanduri <kanduri@cscs.ch>
38 # \author Sebastian Keller <keller@cscs.ch>
39 #
40
41 # The following are copied directly from src/CMakeLists.txt
42 set(IGNORED_CLANG_ALL_WARNINGS
43         "-Wno-c++98-compat -Wno-c++98-compat-pedantic" #No intention of C++98 compability
44         "-Wno-source-uses-openmp" #Don't warn for no-omp build
45         "-Wno-c++17-extensions"   #Allowed in attributes (compilers are required to ignore unknown attributes)
46         "-Wno-documentation-unknown-command" #Custom commands are used
47         "-Wno-covered-switch-default" #GCC gives maybe-uninitialized without default label and checks for illegal enum values.
48         "-Wno-switch-enum" # default statement for enum is OK
49
50         # We need to use macros like
51         # GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR. Those will look strange
52         # if they don't have a semicolon after them, and might confuse
53         # tools like IDEs also.
54         "-Wno-extra-semi-stmt"
55
56         #Following ones are undecided/TODO
57         "-Wno-disabled-macro-expansion"
58         "-Wno-cast-align"
59         "-Wno-reserved-id-macro"
60         "-Wno-global-constructors"
61         "-Wno-exit-time-destructors"
62         "-Wno-unused-macros"
63         "-Wno-weak-vtables"
64         "-Wno-conditional-uninitialized"
65         "-Wno-format-nonliteral"
66         "-Wno-shadow"
67         "-Wno-cast-qual"
68         "-Wno-documentation"
69         "-Wno-used-but-marked-unused"
70         "-Wno-padded"
71         "-Wno-float-equal"
72         "-Wno-old-style-cast"
73         "-Wno-conversion"
74         "-Wno-double-promotion")
75 string(REPLACE " " ";" IGNORED_CLANG_ALL_WARNINGS "${IGNORED_CLANG_ALL_WARNINGS}")
76
77 set(TESTUTILS_DIR ${PROJECT_SOURCE_DIR}/src/testutils)
78 include(${PROJECT_SOURCE_DIR}/src/testutils/TestMacros.cmake)
79
80 # this allows all nblib tests to be run with "make check-nblib"
81 add_custom_target(check-nblib
82         COMMAND ${CMAKE_CTEST_COMMAND} --output-on-failure -R NbLib
83         COMMENT "Running nblib tests"
84         USES_TERMINAL VERBATIM)
85
86 add_library(nblib SHARED "")
87
88 target_sources(nblib
89         PRIVATE
90         box.cpp
91         forcecalculator.cpp
92         gmxcalculator.cpp
93         gmxsetup.cpp
94         integrator.cpp
95         interactions.cpp
96         molecules.cpp
97         particletype.cpp
98         simulationstate.cpp
99         topologyhelpers.cpp
100         topology.cpp
101         )
102
103
104 set_target_properties(nblib
105         PROPERTIES
106         LINKER_LANGUAGE CXX
107         OUTPUT_NAME "nblib"
108         )
109
110 target_link_libraries(nblib PRIVATE libgromacs)
111 target_include_directories(nblib PRIVATE ${PROJECT_SOURCE_DIR}/api)
112 include_directories(BEFORE ${CMAKE_SOURCE_DIR}/api)
113
114 install(TARGETS nblib
115         EXPORT nblib
116         LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR}
117         RUNTIME DESTINATION ${CMAKE_INSTALL_BINDIR}
118         ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR}
119         INCLUDES DESTINATION include
120         )
121
122 if(GMX_INSTALL_NBLIB_API)
123     install(FILES
124             basicdefinitions.h
125             box.h
126             exception.h
127             forcecalculator.h
128             integrator.h
129             interactions.h
130             molecules.h
131             kerneloptions.h
132             nblib.h
133             particletype.h
134             simulationstate.h
135             topology.h
136             topologyhelpers.h
137             DESTINATION include/nblib)
138 endif()
139
140 add_subdirectory(samples)
141 add_subdirectory(util)
142
143 if(BUILD_TESTING)
144     add_subdirectory(tests)
145 endif()