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Qchem match #22

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Merged
slipchenko merged 5 commits into from
May 29, 2025
Merged

Qchem match #22

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45dd092
match with qchem 1
slipchenko Feb 18, 2025
52e587b
mathced with qchem
slipchenko Feb 18, 2025
d6fd962
sync with q-chem 6.2+ version
slipchenko May 29, 2025
a02333c
sync with q-chem 6.2+ version
slipchenko May 29, 2025
1a18f83
added EFP2.*
slipchenko May 29, 2025
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10 changes: 5 additions & 5 deletions CMakeLists.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -32,9 +32,9 @@ project(
LANGUAGES C CXX
)

#set(CMAKE_INSTALL_PREFIX "${PROJECT_SOURCE_DIR}/installed" CACHE PATH "Installation directory" FORCE)
set(CMAKE_INSTALL_PREFIX "$ENV{LIBEFP_DIR}" CACHE PATH "Installation directory" FORCE)
#set(CMAKE_INSTALL_PREFIX "${LIBEFP_DIR}" CACHE PATH "Installation directory")
set(CMAKE_INSTALL_LIBDIR "lib")
#set(CMAKE_INSTALL_LIBDIR "lib")

### LVS needs this on MacOS silicon
set(CMAKE_CXX_STANDARD 17)
Expand Down Expand Up @@ -81,7 +81,7 @@ if((${BUILD_SHARED_LIBS}) AND NOT ${BUILD_FPIC})
endif()

### This option turns OPENMP ON and OFF!
option_with_print(LIBEFP_ENABLE_OPENMP "Enable OpenMP parallelization. Psi4 wants OFF" ON)
option_with_print(LIBEFP_ENABLE_OPENMP "Enable OpenMP parallelization. Psi4 wants OFF" OFF)

option_with_print(ENABLE_GENERIC "Enable mostly static linking in shared library" OFF)
include(xhost) # defines: option(ENABLE_XHOST "Enable processor-specific optimization" ON)
Expand Down Expand Up @@ -232,8 +232,8 @@ install(FILES fraglib/makefp.inp
install(DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/fraglib
DESTINATION ${CMAKE_INSTALL_DATADIR}/${efp})

install(DIRECTORY ${PROJECT_SOURCE_DIR}/nnlib
DESTINATION ${CMAKE_INSTALL_DATADIR}/${efp})
#install(DIRECTORY ${PROJECT_SOURCE_DIR}/nnlib
# DESTINATION ${CMAKE_INSTALL_DATADIR}/${efp})

# headers NOT namespace protected
install(FILES ${src_prefix}/efp.h
Expand Down
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