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tsoc
openmm
Commits
b9a1bee6
Unverified
Commit
b9a1bee6
authored
Jul 01, 2019
by
peastman
Committed by
GitHub
Jul 01, 2019
Browse files
Merge pull request #2336 from peastman/apoa1
Install apoa1.pdb
parents
493a2287
99f8c2c1
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examples/CMakeLists.txt
examples/CMakeLists.txt
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examples/CMakeLists.txt
View file @
b9a1bee6
# Generate and install examples.
# Generate and install examples.
#
#
# This is boilerplate code for generating a set of executables, one per
# This is boilerplate code for generating a set of executables, one per
# .cpp file in an "examples" subdirectory.
# .cpp file in an "examples" subdirectory.
#
#
# For IDEs that can deal with PROJECT_LABEL properties (at least
# For IDEs that can deal with PROJECT_LABEL properties (at least
# Visual Studio) the projects for building each of these adhoc
# Visual Studio) the projects for building each of these adhoc
# executables will be labeled "Example - TheExampleName" if a file
# executables will be labeled "Example - TheExampleName" if a file
# TheExampleName.cpp is found in this directory.
# TheExampleName.cpp is found in this directory.
#
#
# We check the BUILD_TESTING_{SHARED,STATIC} variables to determine
# We check the BUILD_TESTING_{SHARED,STATIC} variables to determine
# whether to build dynamically linked, statically linked, or both
# whether to build dynamically linked, statically linked, or both
# versions of the executable.
# versions of the executable.
SET
(
OpenMM_CWRAPPER
"OpenMMCWrapper"
)
SET
(
OpenMM_CWRAPPER
"OpenMMCWrapper"
)
SET
(
OpenMM_FWRAPPER
"OpenMMFortranWrapper"
)
SET
(
OpenMM_FWRAPPER
"OpenMMFortranWrapper"
)
SET
(
OpenMM_FMODULE
"OpenMMFortranModule"
)
SET
(
OpenMM_FMODULE
"OpenMMFortranModule"
)
SET
(
CPP_EXAMPLES HelloArgon HelloSodiumChloride HelloEthane HelloWaterBox
)
SET
(
CPP_EXAMPLES HelloArgon HelloSodiumChloride HelloEthane HelloWaterBox
)
SET
(
C_EXAMPLES HelloArgonInC HelloSodiumChlorideInC
)
SET
(
C_EXAMPLES HelloArgonInC HelloSodiumChlorideInC
)
SET
(
F_EXAMPLES HelloArgonInFortran HelloSodiumChlorideInFortran
)
SET
(
F_EXAMPLES HelloArgonInFortran HelloSodiumChlorideInFortran
)
FOREACH
(
EX_ROOT
${
CPP_EXAMPLES
}
)
FOREACH
(
EX_ROOT
${
CPP_EXAMPLES
}
)
IF
(
OPENMM_BUILD_SHARED_LIB
)
IF
(
OPENMM_BUILD_SHARED_LIB
)
# Link with shared library
# Link with shared library
ADD_EXECUTABLE
(
${
EX_ROOT
}
${
EX_ROOT
}
.cpp
)
ADD_EXECUTABLE
(
${
EX_ROOT
}
${
EX_ROOT
}
.cpp
)
SET_TARGET_PROPERTIES
(
${
EX_ROOT
}
SET_TARGET_PROPERTIES
(
${
EX_ROOT
}
PROPERTIES
PROPERTIES
PROJECT_LABEL
"Example -
${
EX_ROOT
}
"
PROJECT_LABEL
"Example -
${
EX_ROOT
}
"
LINK_FLAGS
"
${
EXTRA_LINK_FLAGS
}
"
LINK_FLAGS
"
${
EXTRA_LINK_FLAGS
}
"
COMPILE_FLAGS
"
${
EXTRA_COMPILE_FLAGS
}
"
)
COMPILE_FLAGS
"
${
EXTRA_COMPILE_FLAGS
}
"
)
TARGET_LINK_LIBRARIES
(
${
EX_ROOT
}
${
SHARED_TARGET
}
)
TARGET_LINK_LIBRARIES
(
${
EX_ROOT
}
${
SHARED_TARGET
}
)
ENDIF
(
OPENMM_BUILD_SHARED_LIB
)
ENDIF
(
OPENMM_BUILD_SHARED_LIB
)
IF
(
OPENMM_BUILD_STATIC_LIB
)
IF
(
OPENMM_BUILD_STATIC_LIB
)
# Link with static library
# Link with static library
SET
(
EX_STATIC
${
EX_ROOT
}
Static
)
SET
(
EX_STATIC
${
EX_ROOT
}
Static
)
ADD_EXECUTABLE
(
${
EX_STATIC
}
${
EX_ROOT
}
.cpp
)
ADD_EXECUTABLE
(
${
EX_STATIC
}
${
EX_ROOT
}
.cpp
)
SET_TARGET_PROPERTIES
(
${
EX_STATIC
}
SET_TARGET_PROPERTIES
(
${
EX_STATIC
}
PROPERTIES
PROPERTIES
PROJECT_LABEL
"Example -
${
EX_STATIC
}
"
PROJECT_LABEL
"Example -
${
EX_STATIC
}
"
LINK_FLAGS
"
${
EXTRA_LINK_FLAGS
}
"
LINK_FLAGS
"
${
EXTRA_LINK_FLAGS
}
"
COMPILE_FLAGS
"
${
EXTRA_COMPILE_FLAGS
}
-DOPENMM_USE_STATIC_LIBRARIES"
)
COMPILE_FLAGS
"
${
EXTRA_COMPILE_FLAGS
}
-DOPENMM_USE_STATIC_LIBRARIES"
)
TARGET_LINK_LIBRARIES
(
${
EX_STATIC
}
${
STATIC_TARGET
}
)
TARGET_LINK_LIBRARIES
(
${
EX_STATIC
}
${
STATIC_TARGET
}
)
ENDIF
(
OPENMM_BUILD_STATIC_LIB
)
ENDIF
(
OPENMM_BUILD_STATIC_LIB
)
INSTALL
(
FILES
${
EX_ROOT
}
.cpp DESTINATION examples
)
INSTALL
(
FILES
${
EX_ROOT
}
.cpp DESTINATION examples
)
ENDFOREACH
(
EX_ROOT
${
CPP_EXAMPLES
}
)
ENDFOREACH
(
EX_ROOT
${
CPP_EXAMPLES
}
)
# Only build wrapper examples if wrappers have been built
# Only build wrapper examples if wrappers have been built
IF
(
OPENMM_BUILD_C_AND_FORTRAN_WRAPPERS
)
IF
(
OPENMM_BUILD_C_AND_FORTRAN_WRAPPERS
)
INCLUDE_DIRECTORIES
(
BEFORE
${
PROJECT_BINARY_DIR
}
/wrappers
)
INCLUDE_DIRECTORIES
(
BEFORE
${
PROJECT_BINARY_DIR
}
/wrappers
)
FOREACH
(
EX_ROOT
${
C_EXAMPLES
}
)
FOREACH
(
EX_ROOT
${
C_EXAMPLES
}
)
IF
(
OPENMM_BUILD_SHARED_LIB
)
IF
(
OPENMM_BUILD_SHARED_LIB
)
# Link with shared library
# Link with shared library
# We need at least one .cpp here to get CMake to include
# We need at least one .cpp here to get CMake to include
# C++ libraries on the link line.
# C++ libraries on the link line.
ADD_EXECUTABLE
(
${
EX_ROOT
}
${
EX_ROOT
}
.c Empty.cpp
)
ADD_EXECUTABLE
(
${
EX_ROOT
}
${
EX_ROOT
}
.c Empty.cpp
)
SET_TARGET_PROPERTIES
(
${
EX_ROOT
}
SET_TARGET_PROPERTIES
(
${
EX_ROOT
}
PROPERTIES
PROPERTIES
PROJECT_LABEL
"Example C -
${
EX_ROOT
}
"
PROJECT_LABEL
"Example C -
${
EX_ROOT
}
"
LINK_FLAGS
"
${
EXTRA_LINK_FLAGS
}
"
LINK_FLAGS
"
${
EXTRA_LINK_FLAGS
}
"
COMPILE_FLAGS
"
${
EXTRA_COMPILE_FLAGS
}
"
)
COMPILE_FLAGS
"
${
EXTRA_COMPILE_FLAGS
}
"
)
TARGET_LINK_LIBRARIES
(
${
EX_ROOT
}
${
SHARED_TARGET
}
)
TARGET_LINK_LIBRARIES
(
${
EX_ROOT
}
${
SHARED_TARGET
}
)
ADD_DEPENDENCIES
(
${
EX_ROOT
}
ApiWrappers
)
ADD_DEPENDENCIES
(
${
EX_ROOT
}
ApiWrappers
)
ENDIF
(
OPENMM_BUILD_SHARED_LIB
)
ENDIF
(
OPENMM_BUILD_SHARED_LIB
)
IF
(
OPENMM_BUILD_STATIC_LIB
)
IF
(
OPENMM_BUILD_STATIC_LIB
)
# Link with static library
# Link with static library
SET
(
EX_STATIC
${
EX_ROOT
}
Static
)
SET
(
EX_STATIC
${
EX_ROOT
}
Static
)
# We need at least one .cpp here to get CMake to include
# We need at least one .cpp here to get CMake to include
# C++ libraries on the static link line.
# C++ libraries on the static link line.
ADD_EXECUTABLE
(
${
EX_STATIC
}
${
EX_ROOT
}
.c Empty.cpp
)
ADD_EXECUTABLE
(
${
EX_STATIC
}
${
EX_ROOT
}
.c Empty.cpp
)
SET_TARGET_PROPERTIES
(
${
EX_STATIC
}
SET_TARGET_PROPERTIES
(
${
EX_STATIC
}
PROPERTIES
PROPERTIES
PROJECT_LABEL
"Example C -
${
EX_STATIC
}
"
PROJECT_LABEL
"Example C -
${
EX_STATIC
}
"
LINK_FLAGS
"
${
EXTRA_LINK_FLAGS
}
"
LINK_FLAGS
"
${
EXTRA_LINK_FLAGS
}
"
COMPILE_FLAGS
"
${
EXTRA_COMPILE_FLAGS
}
-DOPENMM_USE_STATIC_LIBRARIES"
)
COMPILE_FLAGS
"
${
EXTRA_COMPILE_FLAGS
}
-DOPENMM_USE_STATIC_LIBRARIES"
)
TARGET_LINK_LIBRARIES
(
${
EX_STATIC
}
${
STATIC_TARGET
}
)
TARGET_LINK_LIBRARIES
(
${
EX_STATIC
}
${
STATIC_TARGET
}
)
ADD_DEPENDENCIES
(
${
EX_STATIC
}
ApiWrappers
)
ADD_DEPENDENCIES
(
${
EX_STATIC
}
ApiWrappers
)
ENDIF
(
OPENMM_BUILD_STATIC_LIB
)
ENDIF
(
OPENMM_BUILD_STATIC_LIB
)
ENDFOREACH
(
EX_ROOT
${
C_EXAMPLES
}
)
ENDFOREACH
(
EX_ROOT
${
C_EXAMPLES
}
)
ENDIF
(
OPENMM_BUILD_C_AND_FORTRAN_WRAPPERS
)
ENDIF
(
OPENMM_BUILD_C_AND_FORTRAN_WRAPPERS
)
FOREACH
(
EX_ROOT
${
C_EXAMPLES
}
)
FOREACH
(
EX_ROOT
${
C_EXAMPLES
}
)
INSTALL
(
FILES
${
EX_ROOT
}
.c DESTINATION examples
)
INSTALL
(
FILES
${
EX_ROOT
}
.c DESTINATION examples
)
ENDFOREACH
(
EX_ROOT
${
C_EXAMPLES
}
)
ENDFOREACH
(
EX_ROOT
${
C_EXAMPLES
}
)
FOREACH
(
EX_ROOT
${
F_EXAMPLES
}
)
FOREACH
(
EX_ROOT
${
F_EXAMPLES
}
)
INSTALL
(
FILES
${
EX_ROOT
}
.f90 DESTINATION examples
)
INSTALL
(
FILES
${
EX_ROOT
}
.f90 DESTINATION examples
)
ENDFOREACH
(
EX_ROOT
${
F_EXAMPLES
}
)
ENDFOREACH
(
EX_ROOT
${
F_EXAMPLES
}
)
INSTALL
(
FILES simulateAmber.py simulatePdb.py simulateGromacs.py benchmark.py argon-chemical-potential.py input.inpcrd input.prmtop input.pdb input.gro input.top 5dfr_minimized.pdb 5dfr_solv-cube_equil.pdb
INSTALL
(
FILES simulateAmber.py simulatePdb.py simulateGromacs.py benchmark.py argon-chemical-potential.py input.inpcrd input.prmtop input.pdb input.gro input.top 5dfr_minimized.pdb 5dfr_solv-cube_equil.pdb
apoa1.pdb
DESTINATION examples
)
DESTINATION examples
)
INSTALL
(
FILES VisualStudio/HelloArgon.vcproj
INSTALL
(
FILES VisualStudio/HelloArgon.vcproj
VisualStudio/HelloArgon.sln
VisualStudio/HelloArgon.sln
VisualStudio/HelloArgonInC.sln
VisualStudio/HelloArgonInC.sln
VisualStudio/HelloArgonInC.vcproj
VisualStudio/HelloArgonInC.vcproj
VisualStudio/HelloArgonInFortran.sln
VisualStudio/HelloArgonInFortran.sln
VisualStudio/HelloArgonInFortran.vfproj
VisualStudio/HelloArgonInFortran.vfproj
DESTINATION examples/VisualStudio
)
DESTINATION examples/VisualStudio
)
INSTALL
(
FILES README.txt DESTINATION examples
)
INSTALL
(
FILES README.txt DESTINATION examples
)
INSTALL
(
FILES Makefile NMakefile DESTINATION examples
)
INSTALL
(
FILES Makefile NMakefile DESTINATION examples
)
INSTALL
(
FILES MakefileNotes.txt Empty.cpp DESTINATION examples
)
INSTALL
(
FILES MakefileNotes.txt Empty.cpp DESTINATION examples
)
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