CMakeLists.txt

#Prep ourselves for compiling boost
set(Boost_USE_STATIC_LIBS OFF) #unit_test_framework has to be shared
find_package(Boost COMPONENTS unit_test_framework system REQUIRED)
include_directories (${Boost_INCLUDE_DIRS})
find_package(OpenBabel3 REQUIRED)
include_directories(SYSTEM ${OPENBABEL3_INCLUDE_DIR})

#get all cpp files
set( TEST_SRCS
 test_coordinateset.cpp
 test_grid.cpp
 test_grid.cu
 test_gridmaker.cpp
 test_gridmaker.cu
 test_gridinterp.cpp
 test_mgrid.cpp
 test_mgrid.cu
 test_quaternion.cpp
 test_transform.cpp
 test_transform.cu
)

#Run through each source
foreach(testSrc ${TEST_SRCS})
        #Extract the filename without an extension (NAME_WE)
        get_filename_component(fName ${testSrc} NAME)
        string(REPLACE "." "_" testName ${fName})

        #Add compile target
        add_executable(${testName} ${testSrc})
        target_compile_definitions(${testName} PRIVATE "BOOST_TEST_DYN_LINK=1")

        #link to Boost libraries AND your targets and dependencies
        if(BUILD_STATIC)
           target_link_libraries(${testName} libmolgrid_static ${Boost_LIBRARIES} ${CUDA_LIBRARIES})
        else()
           target_link_libraries(${testName} libmolgrid_shared ${Boost_LIBRARIES} ${CUDA_LIBRARIES})
        endif()

        #Finally add it to test execution -

        add_test(NAME ${testName} COMMAND ${testName})
endforeach(testSrc)

# find python
find_package(PythonInterp)
if(NOT PYTHONINTERP_FOUND)
    message(FATAL_ERROR "ERROR: Python interpreter not found. Cannot continue - sorry.")
else()
	#check for pytest
	execute_process(COMMAND ${PYTHON_EXECUTABLE} -m pytest --version
	  OUTPUT_VARIABLE PYTEST_output
	  ERROR_VARIABLE  PYTEST_error
	  RESULT_VARIABLE PYTEST_result)
	if(${PYTEST_result})
	  message(SEND_ERROR "Pytest package not available: ${PYTEST_error}")
	endif()

#	if (NOT BUILD_COVERAGE)
                add_test(NAME pymolgrid COMMAND ${PYTHON_EXECUTABLE} -m pytest -m "not slow" -rsv WORKING_DIRECTORY ${CMAKE_SOURCE_DIR})
                set_tests_properties(pymolgrid PROPERTIES ENVIRONMENT
                        "PYTHONPATH=${CMAKE_BINARY_DIR}/python:$ENV{PYTHONPATH}")
#        endif()

  add_test(NAME slowpymolgridtests COMMAND ${PYTHON_EXECUTABLE} -m pytest -m "slow" -rsv WORKING_DIRECTORY ${CMAKE_SOURCE_DIR})
	set_tests_properties(slowpymolgridtests PROPERTIES ENVIRONMENT
		"PYTHONPATH=${CMAKE_BINARY_DIR}/python:$ENV{PYTHONPATH}")
endif()