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Merged
evaleev merged 3 commits into from
Feb 1, 2026
Merged

check components #391

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a75e0be
check components
loriab Feb 1, 2026
38c43e7
misc.
loriab Feb 1, 2026
dbc091d
component for py
loriab Feb 1, 2026
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4 changes: 3 additions & 1 deletion .github/workflows/cmake.yml
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Expand Up @@ -343,8 +343,10 @@ jobs:
cmake_minimum_required(VERSION 3.8)
project(hf++)
find_package(Libint2 REQUIRED)
get_target_property(_l2_ver Libint2::int2 Libint2_VERSION)
get_target_property(_l2_maxam Libint2::int2 Libint2_MAX_AM_ERI)
message("Libint2_MAX_AM_ERI \${_l2_maxam}")
get_target_property(_l2_config Libint2::int2 Libint2_CONFIGURATION)
message("Libint2_MAX_AM_ERI \${_l2_maxam} Libint2_VERSION \${_l2_ver} Libint2_CONFIGURATION \${_l2_config}")
find_package(Threads) # clang does not autolink threads even though we are using std::thread
add_executable(hf++ EXCLUDE_FROM_ALL "../libint/tests/hartree-fock/hartree-fock++.cc")
target_link_libraries(hf++ Libint2::cxx Threads::Threads)
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5 changes: 5 additions & 0 deletions INSTALL.md
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Expand Up @@ -502,6 +502,10 @@ Note: As of v2.8.0 (libtool-based), the configuration_accessor() function will r
imitate future cmake-based behavior. See sample patch below. The string can be generated by editing
and running `export/cmake/configuration-gen.py`.

Note: As of v2.13.0 (cmake-based), the configuration_accessor() function will return integral codes by default,
and no patching is necessary. The same codes are available at CMake detection-time for
`find_package(Libint2 ... COMPONENTS ...)`

```
libint2::initialize();
printf("SHGShell: %d\n", libint2::solid_harmonics_ordering());
Expand Down Expand Up @@ -610,6 +614,7 @@ Eventually, these will be CMake Components, too.
g12_hhhh_dD - library includes F12 integrals with Gaussian factors and max angular momentum up to
"h" (h=spdfghikl...) and derivative order "D" (D=0,1,2,...).
For example, the presence of "g12_iiii_d2" means g12 Hessian ints are available for L=6.
This g12 set may have only the lowest AM included for each derivative level c. v2.13 .

cart shell_set used_by
-------- --------- -------
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2 changes: 2 additions & 0 deletions cmake/libint2-config.cmake.in
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Expand Up @@ -93,6 +93,8 @@ foreach(_eri @Libint2_CONFIG_COMPONENTS@) # Libint2_CONFIG_COMPONENTS
set(${L2}_${_eri}_FOUND 1)
endforeach()

check_required_components(${L2})

# Import library targets
if(NOT TARGET ${L2}::int-shared AND NOT TARGET ${L2}::int-static)
include("${CMAKE_CURRENT_LIST_DIR}/${pnv}-targets.cmake")
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14 changes: 14 additions & 0 deletions export/CMakeLists.txt.export
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Expand Up @@ -320,6 +320,12 @@ endif()

# ==== 6 user targets: plain/C++(headers)/C++(compiled) shared/static =========

set(export_properties
"Libint2_VERSION"
"Libint2_MAX_AM_ERI"
"Libint2_CONFIGURATION"
)

if (L2_BUILD_SHARED_LIBS)

add_library(
Expand Down Expand Up @@ -351,7 +357,11 @@ if (L2_BUILD_SHARED_LIBS)
int-shared
PROPERTIES
OUTPUT_NAME "int2"
Libint2_VERSION "${LIBINT_VERSION}"
Libint2_MAX_AM_ERI "${Libint2_MAX_AM_ERI}"
Libint2_CONFIGURATION "${Libint2_CONFIG_COMPONENTS}"
)
set_property(TARGET int-shared APPEND PROPERTY EXPORT_PROPERTIES "${export_properties}")
if (APPLE)
set_target_properties(
int-shared
Expand Down Expand Up @@ -478,7 +488,11 @@ if (L2_BUILD_STATIC_LIBS)
int-static
PROPERTIES
OUTPUT_NAME "int2"
Libint2_VERSION "${LIBINT_VERSION}"
Libint2_MAX_AM_ERI "${Libint2_MAX_AM_ERI}"
Libint2_CONFIGURATION "${Libint2_CONFIG_COMPONENTS}"
)
set_property(TARGET int-static APPEND PROPERTY EXPORT_PROPERTIES "${export_properties}")
target_include_directories(
int-static
INTERFACE
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2 changes: 1 addition & 1 deletion export/python/CMakeLists.txt
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Expand Up @@ -102,7 +102,7 @@ if (TARGET Libint2::cxx)
Boost::headers
)
else()
find_package(Libint2 COMPONENTS CXX_ho REQUIRED)
find_package(Libint2 REQUIRED)
target_link_libraries(libint2-python PRIVATE Libint2::cxx)
endif()

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