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update pybind11, confirmed fixes CI Mac #268

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merged 1 commit into from
Aug 30, 2023
Merged

update pybind11, confirmed fixes CI Mac #268

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61 changes: 47 additions & 14 deletions python/CMakeLists.txt
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Original file line number Diff line number Diff line change
@@ -1,20 +1,41 @@
cmake_minimum_required(VERSION 3.12)
if (CMAKE_HOST_WIN32)
cmake_minimum_required(VERSION 3.21)
else()
cmake_minimum_required(VERSION 3.16)
endif()
cmake_policy(SET CMP0079 NEW)

project(libint2-python)

set(CMAKE_CXX_STANDARD 17)
add_compile_options(-Wall)
if (NOT TARGET Python::Module)
find_package(Python COMPONENTS Interpreter Development REQUIRED)
endif()

include(FetchContent)
find_package(pybind11 2.6.0 CONFIG)
if (NOT TARGET pybind11::pybind11)
message(STATUS "Suitable pybind11 could not be located, building pybind11 instead.")

FetchContent_Declare(
pybind11
GIT_REPOSITORY https://github.com/ValeevGroup/pybind11.git
GIT_TAG 80d452484c5409444b0ec19383faa84bb7a4d351 # v2.4.3
)
FetchContent_MakeAvailable(pybind11)
# [LAB May 2023] For a long time this was fixed at v2.4.3 from a Valeev group clone.
# * recently noticed that C++17 is not getting processed right for this version (at least with the Ubuntu GHA setup)
# * so bumping the backup tag to v2.6.0 (c.2021). the v2.4.3 could probably be revived if needed.
include(FetchContent)
FetchContent_Declare(
pybind11
GIT_REPOSITORY https://github.com/pybind/pybind11.git
GIT_TAG v2.6.0 # sync below!
# GIT_REPOSITORY https://github.com/ValeevGroup/pybind11.git
# GIT_TAG 80d452484c5409444b0ec19383faa84bb7a4d351 # v2.4.3
# FIND_PACKAGE_ARGS 2.4.3 CONFIG # CMake 3.24 integrates find_package() call above into FC_Declare
)

#find_package(Eigen3 3.3 REQUIRED)
FetchContent_MakeAvailable(pybind11)
set(pybind11_VERSION "2.6.0") # getting the fetched version isn't reliable from ${CMAKE_PROJECT_VERSION}), so sync explicitly from tag above
endif()

if (pybind11_VERSION VERSION_LESS_EQUAL 2.5.0)
# remove after minimum pb11 advances beyond v2.5.0 and let cxx_std_17 below do the work
set(CMAKE_CXX_STANDARD 17)
endif()

pybind11_add_module(
libint2-python MODULE
Expand All @@ -23,6 +44,18 @@ pybind11_add_module(
src/libint2/engine.cc
)

target_compile_features(libint2-python PRIVATE "cxx_std_17")

if (pybind11_VERSION VERSION_GREATER_EQUAL 2.7.0)
# suppress error in L2
# * https://github.com/pybind/pybind11/pull/2919
target_compile_definitions(libint2-python PRIVATE NDEBUG=1)
endif()

add_compile_options(-Wall)

#find_package(Eigen3 3.3 REQUIRED)

set_target_properties(
libint2-python
PROPERTIES
Expand Down Expand Up @@ -50,14 +83,14 @@ 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
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
COMMAND ${Python_EXECUTABLE} -m setup bdist_wheel
WORKING_DIRECTORY ${PROJECT_BINARY_DIR}
)

Expand All @@ -66,6 +99,6 @@ enable_testing()
# add the executable
add_test(
NAME libint2-python
COMMAND ${PYTHON_EXECUTABLE} -m setup test
COMMAND ${Python_EXECUTABLE} -m setup test
WORKING_DIRECTORY ${PROJECT_BINARY_DIR}
)