cmake_minimum_required(VERSION 3.14)
project(qchem LANGUAGES CXX)
set(CMAKE_CXX_STANDARD 17)
set(CMAKE_CXX_STANDARD_REQUIRED ON)
set(CMAKE_CXX_EXTENSIONS OFF)
add_library(qchem
src/matrix.cpp
src/basis.cpp
src/boys.cpp
src/cart_int.cpp
src/integrals.cpp
src/hf.cpp
)
target_include_directories(qchem PUBLIC
${CMAKE_CURRENT_SOURCE_DIR}/include
)
target_compile_options(qchem PRIVATE
$<$<CXX_COMPILER_ID:GNU,Clang>:-Wall -Wextra -Wpedantic>
$<$<CXX_COMPILER_ID:MSVC>:/W4>
)
add_executable(h2_sto3g examples/h2_sto3g.cpp)
target_link_libraries(h2_sto3g PRIVATE qchem)
add_executable(qchem_tests tests/test_matrix.cpp)
target_link_libraries(qchem_tests PRIVATE qchem)