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Update libcint/qcint version
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sunqm committed Feb 1, 2024
1 parent c71e96b commit bbf1aaf
Showing 1 changed file with 3 additions and 1 deletion.
4 changes: 3 additions & 1 deletion pyscf/lib/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -160,16 +160,18 @@ option(USE_QCINT "Using the qcint library (optimized for x86-64) for gaussian in

if(BUILD_LIBCINT)
set(LIBCINT_GIT https://github.com/sunqm/libcint.git) # libcint is a portable, cross-platform implementation
set(LIBCINT_VERSION v6.1.1)
if (USE_QCINT)
set(LIBCINT_GIT https://github.com/sunqm/qcint.git) # qcint is an optimized implementation for x86-64 architecture
set(LIBCINT_VERSION v6.1.2)
if(NOT BUILD_MARCH_NATIVE)
message(WARNING "The BUILD_MARCH_NATIVE option is not specified! qcint may not compile unless you explicitly pass compiler flags that turn on vectorization!")
endif()
endif()

ExternalProject_Add(libcint
GIT_REPOSITORY ${LIBCINT_GIT}
GIT_TAG v6.1.1
GIT_TAG ${LIBCINT_VERSION}
PREFIX ${PROJECT_BINARY_DIR}/deps
INSTALL_DIR ${PROJECT_SOURCE_DIR}/deps
CMAKE_ARGS -DCMAKE_BUILD_TYPE=RELEASE
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