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cmake_minimum_required(VERSION 3.12)
project(libint2-python)
set(CMAKE_CXX_STANDARD 17)
add_compile_options(-Wall)
include(FetchContent)
FetchContent_Declare(
pybind11
GIT_REPOSITORY https://github.com/ValeevGroup/pybind11.git
GIT_TAG 80d452484c5409444b0ec19383faa84bb7a4d351 # v2.4.3
)
FetchContent_MakeAvailable(pybind11)
#find_package(Eigen3 3.3 REQUIRED)
pybind11_add_module(
libint2-python MODULE
#EXCLUDE_FROM_ALL
src/libint2/libint2.cc
src/libint2/engine.cc
)
set_target_properties(
libint2-python
PROPERTIES
#PREFIX ""
OUTPUT_NAME libint2
)
if (TARGET libint2_obj)
set(libint2_python_target libint2_obj)
target_link_libraries(libint2-python PRIVATE libint2_obj)
target_link_libraries(libint2-python PRIVATE Boost::boost)
else()
find_package(Libint2 REQUIRED)
target_link_libraries(libint2-python PRIVATE Libint2::cxx)
endif()
# if (Eigen3::Eigen)
# target_link_libraries(libint2-python INTERFACE Eigen3::Eigen)
# else()
# include_directories(${EIGEN3_INCLUDE_DIR})
# endif()
configure_file(setup.py.in ${PROJECT_BINARY_DIR}/setup.py)
add_custom_target(
libint2-python-test
DEPENDS libint2-python
COMMAND ${PYTHON_EXECUTABLE} -m setup test
WORKING_DIRECTORY ${PROJECT_BINARY_DIR}
)
add_custom_target(
libint2-python-wheel
DEPENDS libint2-python
COMMAND ${PYTHON_EXECUTABLE} -m setup bdist_wheel
WORKING_DIRECTORY ${PROJECT_BINARY_DIR}
)
enable_testing()
# add the executable
add_test(
NAME libint2-python
COMMAND ${PYTHON_EXECUTABLE} -m setup test
WORKING_DIRECTORY ${PROJECT_BINARY_DIR}
)
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