Skip to first unread message
misa...@gmail.com
Sep 1, 2017, 4:18:14 AM9/1/17
to Quantum-Dynamics-Hub
Hi Alexey,
I follow the prompt of https://www.acsu.buffalo.edu/~alexeyak/libra/installation.html to install libra, linux/gcc/anaconda2(python2) environment, 100% compiled, but it did not generate liblibra_core file. Meanwhile, under test folder, the test examples run error. Please check the reasons, thank you!
###########################
/backup/home/misaraty/soft/libra-code-master/CMakeLists.txt# Set the compiler as described here: https://cmake.org/Wiki/CMake_FAQ#How_do_I_use_a_different_compiler.3F## Verify that Cmake is up to date##CMAKE_MINIMUM_REQUIRED(VERSION 2.8)#SET(CMAKE_LEGACY_CYGWIN_WIN32 0)
cmake_minimum_required(VERSION 2.6) # or other versionset(CMAKE_C_COMPILER "/usr/bin/gcc")set(CMAKE_CXX_COMPILER "/usr/bin/g++")
project("YourProjectName")
## Project name#
PROJECT("libra")
## Cmake configuration#IF(NOT CMAKE_BUILD_TYPE) SET(CMAKE_BUILD_TYPE "DEBUG") #SET(CMAKE_BUILD_TYPE "RELEASE") #SET(CMAKE_BUILD_TYPE "RELWITHDEBINFO") #SET(CMAKE_BUILD_TYPE "MINSIZEREL") SET(CMAKE_CXX_FLAGS "-fPIC -O2 -fpermissive -w -g")ENDIF()
## User-defined Find modules#LIST(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake/modules)
## Boost library#
set( BOOST_ROOT /backup/home/misaraty/soft/boost) #set( Boost_LIBRARIES /backup/home/misaraty/soft/boost/lib) #set( Boost_INCLUDE_DIRS /backup/home/misaraty/soft/boost/include/boost)
## Boost library#MESSAGE("Looking for Boost libraries...")FIND_PACKAGE(Boost 1.60.0 REQUIRED)IF(Boost_FOUND) MESSAGE("Success!") INCLUDE_DIRECTORIES("${Boost_INCLUDE_DIRS}") SET(Boost_USE_STATIC_LIBS OFF) SET(Boost_USE_MULTITHREADED OFF) SET(Boost_USE_STATIC_RUNTIME OFF) FIND_PACKAGE(Boost 1.60.0 COMPONENTS python regex) # it seems that it is important to find sub-packages too!!!
ELSEIF(NOT Boost_FOUND) MESSAGE(FATAL_ERROR "Unable to find correct Boost version. Did you set BOOST_ROOT?")ENDIF()
MESSAGE("Found Boost libraries directory: ")MESSAGE(${Boost_LIBRARIES})MESSAGE("Found Boost include directory: ")MESSAGE(${Boost_INCLUDE_DIRS})
## Python library#
set( PYTHON_INCLUDE_DIR /backup/home/misaraty/soft/anaconda2/include/python2.7)set( PYTHON_LIBRARY /backup/home/misaraty/soft/anaconda2/lib/libpython2.7.so)
## Python library#MESSAGE("Looking for Python libraries...")MESSAGE("Advice: If this search fails, try setting cache variables: -DPYTHON_LIBRARY=\${path_to_the_python_library} -DPYTHON_INCLUDE_DIR=\${path_to_where_Python.h_is_found}")MESSAGE("Hint to self: -DPYTHON_INCLUDE_DIR=/home/Alexey_2/Soft/Python-2.6.7/bin/include/python2.6 -DPYTHON_LIBRARY=/home/Alexey_2/Soft/Python-2.6.7/bin/bin")
# For Linux and CygwinFIND_PACKAGE(PythonLibs 2.7.0 REQUIRED)
IF(PYTHONLIBS_FOUND) MESSAGE("Success!") INCLUDE_DIRECTORIES("${PYTHON_INCLUDE_DIRS}")ELSEIF(NOT PYTHONLIBS_FOUND) MESSAGE("Unable to find correct Python version. If your Python include/libraries are installed in a non-standard location") MESSAGE("Try using -DPYTHON_LIBRARY=\${path_to_the_python_library} -PYTHON_INCLUDE_DIR=\${path_to_where_Python.h_is_found}") MESSAGE(FATAL_ERROR)ENDIF()
MESSAGE("Found Python libraries directory: ")MESSAGE(${PYTHON_LIBRARIES})MESSAGE("Found Python include directory: ")MESSAGE(${PYTHON_INCLUDE_DIRS})
## GNU compiler definitions#IF(CMAKE_COMPILER_IS_GNUCXX)# For Linux ADD_DEFINITIONS("-Wall")# For Cygwin# ADD_DEFINITIONS("-Wall -DCYGWIN")ELSE() MESSAGE(FATAL_ERROR "CMakeLists.txt has not been tested/written for your compiler.")ENDIF()
## Set the libraries# SET( ext_libs ${Boost_LIBRARIES} ${PYTHON_LIBRARIES} )
## Now building the project#MESSAGE("Going into subdirectory src...")ADD_SUBDIRECTORY("src")
/backup/home/misaraty/soft/libra-code-master/src/CMakeLists.txt## Building sub-directories#MESSAGE("Going into subdirectory util...")ADD_SUBDIRECTORY("util")
MESSAGE("Going into subdirectory io...")ADD_SUBDIRECTORY("io")
MESSAGE("Going into subdirectory timer...")ADD_SUBDIRECTORY("timer")
MESSAGE("Going into subdirectory common_types...")ADD_SUBDIRECTORY("common_types")
MESSAGE("Going into subdirectory linalg...")ADD_SUBDIRECTORY("math_linalg")
MESSAGE("Going into subdirectory meigen...")ADD_SUBDIRECTORY("math_meigen")
MESSAGE("Going into subdirectory specialfunctions...")ADD_SUBDIRECTORY("math_specialfunctions")
MESSAGE("Going into subdirectory symmetry...")ADD_SUBDIRECTORY("math_symmetry")
MESSAGE("Going into subdirectory operators...")ADD_SUBDIRECTORY("math_operators")
MESSAGE("Going into subdirectory random...")ADD_SUBDIRECTORY("math_random")
MESSAGE("Going into subdirectory graph...")ADD_SUBDIRECTORY("math_graph")
MESSAGE("Going into subdirectory data...")ADD_SUBDIRECTORY("math_data")
MESSAGE("Going into subdirectory ann...")ADD_SUBDIRECTORY("math_ann")
MESSAGE("Going into subdirectory molint...")ADD_SUBDIRECTORY("molint")
MESSAGE("Going into subdirectory qobjects...")ADD_SUBDIRECTORY("qobjects")
MESSAGE("Going into subdirectory basis...")ADD_SUBDIRECTORY("basis")
MESSAGE("Going into subdirectory calculators...")ADD_SUBDIRECTORY("calculators")
MESSAGE("Going into subdirectory context...")ADD_SUBDIRECTORY("context")
MESSAGE("Going into subdirectory rigidbody...")ADD_SUBDIRECTORY("dyn_rigidbody")
MESSAGE("Going into subdirectory chemobjects...")ADD_SUBDIRECTORY("chemobjects")
MESSAGE("Going into subdirectory cell...")ADD_SUBDIRECTORY("cell")
MESSAGE("Going into subdirectory pot...")ADD_SUBDIRECTORY("pot")
MESSAGE("Going into subdirectory forcefield...")ADD_SUBDIRECTORY("forcefield")
MESSAGE("Going into subdirectory control_parameters...")ADD_SUBDIRECTORY("control_parameters")
MESSAGE("Going into subdirectory model_parameters...")ADD_SUBDIRECTORY("model_parameters")
MESSAGE("Going into subdirectory basis_setups...")ADD_SUBDIRECTORY("basis_setups")
MESSAGE("Going into subdirectory hamiltonian...")ADD_SUBDIRECTORY("hamiltonian")
MESSAGE("Going into subdirectory dyn...")ADD_SUBDIRECTORY("dyn")
MESSAGE("Going into subdirectory converters...")ADD_SUBDIRECTORY("converters")
MESSAGE("Going into subdirectory scripts...")ADD_SUBDIRECTORY("scripts")
MESSAGE("Going into subdirectory qchem_tools...")ADD_SUBDIRECTORY("qchem_tools")
MESSAGE("Going into subdirectory solvers...")ADD_SUBDIRECTORY("solvers")
## Source files and headers in this directory#file(GLOB LIBRA_HEADERS ${CMAKE_CURRENT_SOURCE_DIR}/*.h)file(GLOB LIBRA_SRC ${CMAKE_CURRENT_SOURCE_DIR}/*.cpp ${LIBRA_HEADERS})
ADD_LIBRARY(libra_core SHARED ${LIBRA_SRC})ADD_LIBRARY(libra_core_stat STATIC ${LIBRA_SRC})
TARGET_LINK_LIBRARIES(libra_core solvers_stat qchem_tools_stat scripts_stat converters_stat dyn_stat common_types_stat basis_setups_stat model_parameters_stat control_parameters_stat hamiltonian_stat util_stat forcefield_stat pot_stat cell_stat chemobjects_stat rigidbody_stat basis_stat qobjects_stat molint_stat linalg_stat meigen_stat specialfunctions_stat symmetry_stat operators_stat random_stat graph_stat data_stat ann_stat timer_stat context_stat io_stat calculators_stat ${ext_libs} )
TARGET_LINK_LIBRARIES(libra_core_stat solvers_stat qchem_tools_stat scripts_stat converters_stat dyn_stat common_types_stat basis_setups_stat model_parameters_stat control_parameters_stat hamiltonian_stat util_stat forcefield_stat pot_stat cell_stat chemobjects_stat rigidbody_stat basis_stat qobjects_stat molint_stat linalg_stat meigen_stat specialfunctions_stat symmetry_stat operators_stat random_stat graph_stat data_stat ann_stat timer_stat context_stat io_stat calculators_stat ${ext_libs} )
## Copy python files#add_custom_target(copy-libra-py ALL COMMAND cmake -E copy_directory ${CMAKE_SOURCE_DIR}/src/libra_py ${CMAKE_BINARY_DIR}/src/libra_py)
# COMMAND cmake -E copy ${CMAKE_SOURCE_DIR}/src/__init__.py ${CMAKE_BINARY_DIR}/src/__init__.py
#Linux:SET( ext_libs ${Boost_LIBRARIES} ${PYTHON_LIBRARIES})#SET( ext_libs ${Boost_LIBRARIES} ${PYTHON_LIBRARIES}/libpython2.6.dll )
/backup/home/misaraty/soft/libra-code-master/src/solvers/CMakeLists.txt## Source files and headers in this directory#file(GLOB SOLVERS_HEADERS ${CMAKE_CURRENT_SOURCE_DIR}/*.h)file(GLOB SOLVERS_SRC ${CMAKE_CURRENT_SOURCE_DIR}/*.cpp ${SOLVERS_HEADERS})
# #SET( EIGEN_INCLUDE /backup/home/misaraty/soft/eigen-eigen-5a0156e40feb/ )
set (EIGEN_INCLUDE /backup/home/misaraty/soft/eigen-eigen-5a0156e40feb/ )INCLUDE_DIRECTORIES(${EIGEN_INCLUDE})
## Build both static and dynamic libraries#ADD_LIBRARY(solvers SHARED ${SOLVERS_SRC})ADD_LIBRARY(solvers_stat STATIC ${SOLVERS_SRC})
## Link to external libraries#TARGET_LINK_LIBRARIES(solvers linalg_stat ${ext_libs})TARGET_LINK_LIBRARIES(solvers_stat linalg_stat ${ext_libs})
/backup/home/misaraty/soft/libra-code-master/src/math_meigen/CMakeLists.txt#####MESSAGE("Going into subdirectory Eigen/eigen-eigen-b9cd8366d4e8...")#ADD_SUBDIRECTORY("Eigen/eigen-eigen-b9cd8366d4e8")
#MESSAGE("Going into subdirectory Eigen/eigen-eigen-b9cd8366d4e8...")#ADD_SUBDIRECTORY("Eigen")
# Make the execution of this script conditional, depending on the Eigen library# availablility# In general, we need to call the find_Eigen module# but for now, I just set the include dir manually##set (EIGEN_INCLUDE /backup/home/misaraty/soft/eigen-eigen-5a0156e40feb/)set (EIGEN_INCLUDE /backup/home/misaraty/soft/eigen-eigen-5a0156e40feb/ )
## Source files and headers in this directory#file(GLOB EIG_HEADERS ${CMAKE_CURRENT_SOURCE_DIR}/*.h)file(GLOB EIG_SRC ${CMAKE_CURRENT_SOURCE_DIR}/*.cpp ${EIG_HEADERS})
INCLUDE_DIRECTORIES(${EIGEN_INCLUDE})
## Create both static and dynamic libraries#ADD_LIBRARY(meigen SHARED ${EIG_SRC})ADD_LIBRARY(meigen_stat STATIC ${EIG_SRC})
## Link to external libraries#TARGET_LINK_LIBRARIES(meigen linalg_stat ${ext_libs})TARGET_LINK_LIBRARIES(meigen_stat linalg_stat ${ext_libs})
#########################
cd /backup/home/misaraty/soft/libra-code-master
mkdir bin&& cd bin
cmake ../[misaraty@server64_ib bin]$ rm ./* && cmake ../-- The C compiler identification is GNU 4.4.7-- The CXX compiler identification is GNU 4.4.7-- Check for working C compiler: /usr/bin/gcc-- Check for working C compiler: /usr/bin/gcc -- works-- Detecting C compiler ABI info-- Detecting C compiler ABI info - done-- Check for working CXX compiler: /usr/bin/g++-- Check for working CXX compiler: /usr/bin/g++ -- works-- Detecting CXX compiler ABI info-- Detecting CXX compiler ABI info - doneLooking for Boost libraries...-- Boost version: 1.63.0Success!-- Boost version: 1.63.0-- Found the following Boost libraries:-- python-- regexFound Boost libraries directory: /backup/home/misaraty/soft/boost/lib/libboost_python.so/backup/home/misaraty/soft/boost/lib/libboost_regex.soFound Boost include directory: /backup/home/misaraty/soft/boost/includeLooking for Python libraries...Advice: If this search fails, try setting cache variables: -DPYTHON_LIBRARY=${path_to_the_python_library} -DPYTHON_INCLUDE_DIR=${path_to_where_Python.h_is_found}Hint to self: -DPYTHON_INCLUDE_DIR=/home/Alexey_2/Soft/Python-2.6.7/bin/include/python2.6 -DPYTHON_LIBRARY=/home/Alexey_2/Soft/Python-2.6.7/bin/bin-- Found PythonLibs: /backup/home/misaraty/soft/anaconda2/lib/libpython2.7.so (found suitable version "2.7.13", minimum required is "2.7.0") Success!Found Python libraries directory: /backup/home/misaraty/soft/anaconda2/lib/libpython2.7.soFound Python include directory: /backup/home/misaraty/soft/anaconda2/include/python2.7Going into subdirectory src...Going into subdirectory util...Going into subdirectory io...Going into subdirectory timer...Going into subdirectory common_types...Going into subdirectory linalg...Going into subdirectory meigen...Going into subdirectory specialfunctions...Going into subdirectory symmetry...Going into subdirectory operators...Going into subdirectory random...Going into subdirectory graph...Going into subdirectory data...Going into subdirectory ann...Going into subdirectory molint...Going into subdirectory qobjects...Going into subdirectory basis...Going into subdirectory calculators...Going into subdirectory context...Going into subdirectory rigidbody...Going into subdirectory chemobjects...Going into subdirectory universe...Going into subdirectory mol...Going into subdirectory chemsys...Going into subdirectory cell...Going into subdirectory pot...Going into subdirectory forcefield...Going into subdirectory control_parameters...Going into subdirectory model_parameters...Going into subdirectory basis_setups...Going into subdirectory hamiltonian...Going into subdirectory Hamiltonian_Generic...Going into subdirectory Hamiltonian_Model...Going into subdirectory Hamiltonian_Extern...Going into subdirectory Hamiltonian_Atomistic...Going into subdirectory Hamiltonian_MM...Going into subdirectory Hamiltonian_QM...Going into subdirectory dyn...Going into subdirectory nuclear...Going into subdirectory electronic...Going into subdirectory thermostat...Going into subdirectory barostat...Going into subdirectory wfcgrid...Going into subdirectory ensemble...Going into subdirectory gwp...Going into subdirectory converters...Going into subdirectory scripts...Going into subdirectory state...Going into subdirectory qchem_tools...Going into subdirectory solvers...-- Configuring done-- Generating done-- Build files have been written to: /backup/home/misaraty/soft/libra-code-master/bin
make -j 16Scanning dependencies of target copy-libra-pyScanning dependencies of target timer_statScanning dependencies of target util_statScanning dependencies of target io_statScanning dependencies of target common_types_statScanning dependencies of target operatorsScanning dependencies of target common_typesScanning dependencies of target graph_statScanning dependencies of target randomScanning dependencies of target utilScanning dependencies of target graphScanning dependencies of target ioScanning dependencies of target random_statScanning dependencies of target data_statScanning dependencies of target operators_statScanning dependencies of target timer[ 0%] Built target copy-libra-pyScanning dependencies of target data[ 0%] [ 0%] [ 0%] [ 1%] [ 1%] Building CXX object src/timer/CMakeFiles/timer_stat.dir/libtimer.cpp.oBuilding CXX object src/math_graph/CMakeFiles/graph_stat.dir/GRAPH.cpp.oBuilding CXX object src/common_types/CMakeFiles/common_types.dir/Excitation.cpp.o[ 1%] Building CXX object src/common_types/CMakeFiles/common_types_stat.dir/Excitation.cpp.oBuilding CXX object src/timer/CMakeFiles/timer.dir/libtimer.cpp.o[ 2%] Building CXX object src/math_random/CMakeFiles/random.dir/librandom.cpp.oBuilding CXX object src/math_graph/CMakeFiles/graph.dir/GRAPH.cpp.o[ 2%] [ 2%] Building CXX object src/math_operators/CMakeFiles/operators.dir/Operators.cpp.o[ 2%] Building CXX object src/math_operators/CMakeFiles/operators_stat.dir/Operators.cpp.o[ 2%] [ 2%] Building CXX object src/io/CMakeFiles/io_stat.dir/io.cpp.o[ 2%] Building CXX object src/math_random/CMakeFiles/random_stat.dir/librandom.cpp.o[ 2%] Building CXX object src/math_data/CMakeFiles/data_stat.dir/DATA.cpp.oBuilding CXX object src/util/CMakeFiles/util.dir/libutil.cpp.oBuilding CXX object src/util/CMakeFiles/util_stat.dir/libutil.cpp.o[ 2%] [ 2%] Building CXX object src/math_data/CMakeFiles/data.dir/DATA.cpp.oBuilding CXX object src/io/CMakeFiles/io.dir/io.cpp.o[ 2%] Building CXX object src/common_types/CMakeFiles/common_types.dir/libcommon_types.cpp.o[ 3%] Building CXX object src/common_types/CMakeFiles/common_types_stat.dir/libcommon_types.cpp.o[ 3%] Building CXX object src/math_graph/CMakeFiles/graph_stat.dir/libgraph.cpp.o[ 3%] Building CXX object src/math_graph/CMakeFiles/graph.dir/libgraph.cpp.o[ 3%] Building CXX object src/math_operators/CMakeFiles/operators_stat.dir/liboperators.cpp.o[ 3%] Building CXX object src/math_operators/CMakeFiles/operators.dir/liboperators.cpp.oLinking CXX shared library libgraph.so[ 3%] Built target graph[ 4%] Building CXX object src/util/CMakeFiles/util_stat.dir/util.cpp.oLinking CXX static library libgraph_stat.a[ 4%] Building CXX object src/math_data/CMakeFiles/data.dir/libdata.cpp.o[ 4%] [ 4%] Built target graph_statBuilding CXX object src/math_random/CMakeFiles/random_stat.dir/random.cpp.o[ 5%] Building CXX object src/math_data/CMakeFiles/data_stat.dir/libdata.cpp.o[ 5%] Building CXX object src/util/CMakeFiles/util.dir/util.cpp.oLinking CXX shared library libtimer.so[ 5%] [ 5%] Building CXX object src/io/CMakeFiles/io.dir/libio.cpp.oBuilding CXX object src/math_random/CMakeFiles/random.dir/random.cpp.oLinking CXX shared library libcommon_types.so[ 5%] Built target timer[ 5%] Building CXX object src/io/CMakeFiles/io_stat.dir/libio.cpp.oLinking CXX static library libtimer_stat.a[ 5%] Built target common_types[ 5%] Built target timer_statLinking CXX static library libcommon_types_stat.a[ 5%] Built target common_types_statLinking CXX shared library liboperators.so[ 5%] Built target operatorsLinking CXX static library liboperators_stat.a[ 5%] Built target operators_statLinking CXX static library libutil_stat.a[ 5%] Built target util_statLinking CXX shared library librandom.so[ 5%] Built target randomLinking CXX static library librandom_stat.a[ 5%] Built target random_statLinking CXX shared library libutil.soLinking CXX shared library libio.so[ 5%] Built target util[ 5%] Built target ioLinking CXX static library libio_stat.a[ 5%] Built target io_statScanning dependencies of target linalg_statScanning dependencies of target linalgScanning dependencies of target universe_statScanning dependencies of target universe[ 5%] [ 5%] Building CXX object src/chemobjects/universe/CMakeFiles/universe_stat.dir/Element.cpp.oBuilding CXX object src/chemobjects/universe/CMakeFiles/universe_stat.dir/Universe.cpp.o[ 6%] [ 6%] [ 6%] [ 7%] [ 7%] [ 7%] Building CXX object src/chemobjects/universe/CMakeFiles/universe.dir/Universe.cpp.oBuilding CXX object src/chemobjects/universe/CMakeFiles/universe.dir/Element.cpp.oBuilding CXX object src/chemobjects/universe/CMakeFiles/universe_stat.dir/libuniverse.cpp.oBuilding CXX object src/chemobjects/universe/CMakeFiles/universe.dir/Universe_methods.cpp.oBuilding CXX object src/chemobjects/universe/CMakeFiles/universe_stat.dir/Universe_methods.cpp.oBuilding CXX object src/chemobjects/universe/CMakeFiles/universe.dir/libuniverse.cpp.o[ 7%] Building CXX object src/math_linalg/CMakeFiles/linalg.dir/CMATRIX.cpp.o[ 7%] Building CXX object src/math_linalg/CMakeFiles/linalg.dir/FT.cpp.o[ 8%] [ 8%] [ 8%] Building CXX object src/math_linalg/CMakeFiles/linalg.dir/Mathematics.cpp.oBuilding CXX object src/math_linalg/CMakeFiles/linalg.dir/MATRIX3x3.cpp.oBuilding CXX object src/math_linalg/CMakeFiles/linalg.dir/MATRIX.cpp.o[ 8%] Building CXX object src/math_linalg/CMakeFiles/linalg_stat.dir/CMATRIX.cpp.oLinking CXX shared library libdata.soLinking CXX static library libdata_stat.a[ 8%] Built target data[ 8%] Building CXX object src/math_linalg/CMakeFiles/linalg.dir/QUATERNION.cpp.o[ 8%] Built target data_stat[ 8%] Building CXX object src/math_linalg/CMakeFiles/linalg.dir/VECTOR.cpp.o[ 9%] Building CXX object src/math_linalg/CMakeFiles/linalg.dir/liblinalg.cpp.o[ 9%] Building CXX object src/math_linalg/CMakeFiles/linalg_stat.dir/FT.cpp.o[ 9%] Building CXX object src/math_linalg/CMakeFiles/linalg_stat.dir/MATRIX.cpp.o[ 10%] Building CXX object src/math_linalg/CMakeFiles/linalg_stat.dir/MATRIX3x3.cpp.o[ 10%] [ 10%] Building CXX object src/math_linalg/CMakeFiles/linalg_stat.dir/Mathematics.cpp.oBuilding CXX object src/math_linalg/CMakeFiles/linalg_stat.dir/QUATERNION.cpp.o[ 10%] Building CXX object src/math_linalg/CMakeFiles/linalg_stat.dir/VECTOR.cpp.o[ 11%] Building CXX object src/math_linalg/CMakeFiles/linalg_stat.dir/liblinalg.cpp.oLinking CXX static library libuniverse_stat.aLinking CXX shared library libuniverse.so[ 11%] Built target universe_stat[ 11%] Built target universeLinking CXX shared library liblinalg.so[ 11%] Built target linalgLinking CXX static library liblinalg_stat.a[ 11%] Built target linalg_statScanning dependencies of target solvers_statScanning dependencies of target context_statScanning dependencies of target meigen_statScanning dependencies of target symmetry_statScanning dependencies of target control_parameters_statScanning dependencies of target contextScanning dependencies of target cell_statScanning dependencies of target hamiltonian_generic_statScanning dependencies of target hamiltonian_genericScanning dependencies of target symmetryScanning dependencies of target meigenScanning dependencies of target nuclear_statScanning dependencies of target gwp_statScanning dependencies of target nuclearScanning dependencies of target cellScanning dependencies of target control_parameters[ 12%] Building CXX object src/control_parameters/CMakeFiles/control_parameters_stat.dir/Control_Parameters.cpp.o[ 12%] Building CXX object src/math_symmetry/CMakeFiles/symmetry_stat.dir/Space_Groups.cpp.o[ 12%] Building CXX object src/control_parameters/CMakeFiles/control_parameters.dir/Control_Parameters.cpp.o[ 13%] [ 13%] [ 13%] Building CXX object src/dyn/gwp/CMakeFiles/gwp_stat.dir/gwp_ints.cpp.o[ 13%] Building CXX object src/dyn/nuclear/CMakeFiles/nuclear_stat.dir/Nuclear.cpp.oBuilding CXX object src/math_symmetry/CMakeFiles/symmetry.dir/Space_Groups.cpp.o[ 14%] Building CXX object src/dyn/nuclear/CMakeFiles/nuclear.dir/Nuclear.cpp.o[ 14%] Building CXX object src/hamiltonian/Hamiltonian_Generic/CMakeFiles/hamiltonian_generic_stat.dir/Hamiltonian.cpp.o[ 14%] Building CXX object src/cell/CMakeFiles/cell.dir/Cell.cpp.o[ 14%] [ 14%] Building CXX object src/hamiltonian/Hamiltonian_Generic/CMakeFiles/hamiltonian_generic.dir/Hamiltonian.cpp.oBuilding CXX object src/context/CMakeFiles/context_stat.dir/Context.cpp.oBuilding CXX object src/cell/CMakeFiles/cell_stat.dir/Cell.cpp.o[ 14%] [ 14%] Building CXX object src/context/CMakeFiles/context.dir/Context.cpp.oBuilding CXX object src/solvers/CMakeFiles/solvers_stat.dir/DIIS.cpp.o[ 14%] [ 14%] Building CXX object src/math_meigen/CMakeFiles/meigen_stat.dir/libmeigen.cpp.oBuilding CXX object src/math_meigen/CMakeFiles/meigen.dir/libmeigen.cpp.o[ 15%] [ 15%] Building CXX object src/hamiltonian/Hamiltonian_Generic/CMakeFiles/hamiltonian_generic.dir/libhamiltonian_generic.cpp.oBuilding CXX object src/hamiltonian/Hamiltonian_Generic/CMakeFiles/hamiltonian_generic_stat.dir/libhamiltonian_generic.cpp.o[ 16%] Building CXX object src/dyn/nuclear/CMakeFiles/nuclear_stat.dir/libnuclear.cpp.o[ 16%] Building CXX object src/dyn/gwp/CMakeFiles/gwp_stat.dir/libgwp.cpp.o[ 16%] Building CXX object src/dyn/nuclear/CMakeFiles/nuclear.dir/libnuclear.cpp.o[ 16%] Building CXX object src/cell/CMakeFiles/cell.dir/NList.cpp.o[ 16%] Building CXX object src/cell/CMakeFiles/cell_stat.dir/NList.cpp.o[ 16%] Building CXX object src/control_parameters/CMakeFiles/control_parameters_stat.dir/libcontrol_parameters.cpp.o[ 16%] Building CXX object src/control_parameters/CMakeFiles/control_parameters.dir/libcontrol_parameters.cpp.o[ 16%] Building CXX object src/math_meigen/CMakeFiles/meigen.dir/mEigen_decompositions.cpp.o[ 17%] Building CXX object src/math_meigen/CMakeFiles/meigen_stat.dir/mEigen_decompositions.cpp.oLinking CXX static library libgwp_stat.a[ 18%] Building CXX object src/context/CMakeFiles/context_stat.dir/ctx_Control_Parameters.cpp.o[ 18%] Built target gwp_stat[ 18%] Building CXX object src/math_meigen/CMakeFiles/meigen_stat.dir/mEigen_determinant.cpp.o[ 19%] Building CXX object src/solvers/CMakeFiles/solvers_stat.dir/libsolvers.cpp.oLinking CXX shared library libnuclear.so[ 19%] Building CXX object src/cell/CMakeFiles/cell.dir/libcell.cpp.o[ 19%] Built target nuclear[ 19%] Building CXX object src/math_meigen/CMakeFiles/meigen_stat.dir/mEigen_eigensolve.cpp.o[ 20%] Building CXX object src/cell/CMakeFiles/cell_stat.dir/libcell.cpp.oLinking CXX shared library libhamiltonian_generic.so[ 20%] Built target hamiltonian_generic[ 20%] Building CXX object src/math_meigen/CMakeFiles/meigen.dir/mEigen_determinant.cpp.o[ 20%] Building CXX object src/context/CMakeFiles/context.dir/ctx_Control_Parameters.cpp.oLinking CXX static library libcontrol_parameters_stat.a[ 20%] Built target control_parameters_stat[ 20%] Building CXX object src/context/CMakeFiles/context.dir/libcontext.cpp.oLinking CXX static library libhamiltonian_generic_stat.a[ 20%] Built target hamiltonian_generic_stat[ 20%] Linking CXX shared library libcontrol_parameters.soBuilding CXX object src/math_meigen/CMakeFiles/meigen.dir/mEigen_eigensolve.cpp.o[ 20%] Built target control_parameters[ 20%] Building CXX object src/context/CMakeFiles/context_stat.dir/libcontext.cpp.oLinking CXX static library libsolvers_stat.a[ 20%] Building CXX object src/math_symmetry/CMakeFiles/symmetry_stat.dir/libsymmetry.cpp.o[ 20%] Built target solvers_stat[ 20%] Building CXX object src/math_symmetry/CMakeFiles/symmetry.dir/libsymmetry.cpp.oLinking CXX static library libnuclear_stat.a[ 20%] Built target nuclear_statScanning dependencies of target gwp[ 21%] Building CXX object src/math_meigen/CMakeFiles/meigen.dir/mEigen_inverse.cpp.o[ 21%] Building CXX object src/math_meigen/CMakeFiles/meigen.dir/mEigen_linsolve.cpp.oLinking CXX shared library libcell.so[ 21%] Building CXX object src/math_meigen/CMakeFiles/meigen.dir/mEigen_matrix_functions.cpp.o[ 21%] Built target cellScanning dependencies of target solvers[ 21%] Building CXX object src/dyn/gwp/CMakeFiles/gwp.dir/gwp_ints.cpp.oLinking CXX static library libcell_stat.aLinking CXX shared library libcontext.so[ 21%] Built target cell_stat[ 22%] Building CXX object src/dyn/gwp/CMakeFiles/gwp.dir/libgwp.cpp.oLinking CXX static library libcontext_stat.a[ 22%] Built target context_stat[ 22%] Building CXX object src/math_meigen/CMakeFiles/meigen_stat.dir/mEigen_inverse.cpp.o[ 22%] Built target context[ 22%] [ 22%] Building CXX object src/solvers/CMakeFiles/solvers.dir/DIIS.cpp.oBuilding CXX object src/math_meigen/CMakeFiles/meigen_stat.dir/mEigen_linsolve.cpp.o[ 23%] Building CXX object src/math_meigen/CMakeFiles/meigen_stat.dir/mEigen_matrix_functions.cpp.o[ 23%] Building CXX object src/solvers/CMakeFiles/solvers.dir/libsolvers.cpp.oLinking CXX shared library libgwp.so[ 23%] Built target gwpLinking CXX shared library libsolvers.so[ 23%] Built target solversLinking CXX static library libsymmetry_stat.a[ 23%] Built target symmetry_statLinking CXX static library libmeigen_stat.a[ 23%] Built target meigen_statScanning dependencies of target hamiltonian_modelScanning dependencies of target specialfunctions_statScanning dependencies of target hamiltonian_externScanning dependencies of target hamiltonian_extern_statScanning dependencies of target hamiltonian_model_statScanning dependencies of target specialfunctions[ 23%] [ 23%] Building CXX object src/hamiltonian/Hamiltonian_Extern/CMakeFiles/hamiltonian_extern_stat.dir/Hamiltonian_Extern.cpp.oBuilding CXX object src/hamiltonian/Hamiltonian_Extern/CMakeFiles/hamiltonian_extern_stat.dir/libhamiltonian_extern.cpp.o[ 23%] Building CXX object src/hamiltonian/Hamiltonian_Extern/CMakeFiles/hamiltonian_extern.dir/Hamiltonian_Extern.cpp.o[ 23%] [ 24%] [ 24%] Linking CXX shared library libmeigen.soBuilding CXX object src/math_specialfunctions/CMakeFiles/specialfunctions.dir/SpecialFunctions.cpp.oBuilding CXX object src/math_specialfunctions/CMakeFiles/specialfunctions.dir/libspecialfunctions.cpp.oBuilding CXX object src/hamiltonian/Hamiltonian_Extern/CMakeFiles/hamiltonian_extern.dir/libhamiltonian_extern.cpp.o[ 24%] [ 24%] Building CXX object src/math_specialfunctions/CMakeFiles/specialfunctions_stat.dir/libspecialfunctions.cpp.oBuilding CXX object src/math_specialfunctions/CMakeFiles/specialfunctions_stat.dir/SpecialFunctions.cpp.o[ 25%] [ 25%] [ 25%] [ 25%] [ 25%] [ 25%] Building CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model_stat.dir/Model_DAC.cpp.oBuilding CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model_stat.dir/Model_Marcus.cpp.oBuilding CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model_stat.dir/Model_Rabi2.cpp.oBuilding CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model.dir/Hamiltonian_Model.cpp.oBuilding CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model_stat.dir/Model_ECWR.cpp.oBuilding CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model_stat.dir/Hamiltonian_Model.cpp.oLinking CXX shared library libsymmetry.so[ 25%] Built target meigen[ 25%] Building CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model.dir/Model_DAC.cpp.o[ 25%] Built target symmetry[ 26%] Building CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model.dir/Model_ECWR.cpp.o[ 27%] Building CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model_stat.dir/Model_SAC.cpp.o[ 27%] Building CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model_stat.dir/Model_SEXCH.cpp.o[ 27%] Building CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model.dir/Model_Marcus.cpp.o[ 27%] Building CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model_stat.dir/Model_cubic.cpp.o[ 27%] Building CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model.dir/Model_Rabi2.cpp.oLinking CXX static library libspecialfunctions_stat.a[ 27%] Building CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model.dir/Model_SAC.cpp.o[ 27%] Building CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model.dir/Model_SEXCH.cpp.o[ 27%] Building CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model_stat.dir/Model_sin.cpp.o[ 28%] [ 28%] Built target specialfunctions_statBuilding CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model_stat.dir/Model_sin_2D.cpp.oScanning dependencies of target ann_stat[ 28%] Building CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model_stat.dir/libhamiltonian_model.cpp.oScanning dependencies of target molint_statScanning dependencies of target calculators_statLinking CXX shared library libspecialfunctions.soLinking CXX static library libhamiltonian_extern_stat.aLinking CXX shared library libhamiltonian_extern.so[ 28%] Built target hamiltonian_extern_stat[ 29%] Building CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model.dir/Model_cubic.cpp.o[ 29%] Built target specialfunctions[ 29%] Building CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model.dir/Model_sin.cpp.o[ 29%] Built target hamiltonian_externScanning dependencies of target rigidbody_statScanning dependencies of target pot_stat[ 30%] Building CXX object src/math_ann/CMakeFiles/ann_stat.dir/NeuralNetwork.cpp.o[ 31%] Building CXX object src/calculators/CMakeFiles/calculators_stat.dir/Annihilate.cpp.o[ 31%] Building CXX object src/molint/CMakeFiles/molint_stat.dir/A_coefficients.cpp.o[ 32%] Building CXX object src/molint/CMakeFiles/molint_stat.dir/Integral_Approx1.cpp.o[ 33%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody_stat.dir/RigidBody.cpp.o[ 33%] Building CXX object src/calculators/CMakeFiles/calculators_stat.dir/Bands.cpp.o[ 33%] Building CXX object src/pot/CMakeFiles/pot_stat.dir/Potentials_angles.cpp.oScanning dependencies of target forcefield_stat[ 33%] Building CXX object src/calculators/CMakeFiles/calculators_stat.dir/Density_Matrix.cpp.o[ 33%] Building CXX object src/molint/CMakeFiles/molint_stat.dir/Integral_Derivative_Couplings.cpp.o[ 33%] Building CXX object src/math_ann/CMakeFiles/ann_stat.dir/NeuralNetwork_Algorithms.cpp.oScanning dependencies of target thermostat_stat[ 33%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody_stat.dir/RigidBody_methods.cpp.o[ 33%] Building CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model.dir/Model_sin_2D.cpp.oLinking CXX static library libhamiltonian_model_stat.a[ 33%] Built target hamiltonian_model_stat[ 33%] Building CXX object src/hamiltonian/Hamiltonian_Model/CMakeFiles/hamiltonian_model.dir/libhamiltonian_model.cpp.oScanning dependencies of target barostat_stat[ 33%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/Angle_Record.cpp.o[ 33%] Building CXX object src/dyn/thermostat/CMakeFiles/thermostat_stat.dir/Thermostat.cpp.o[ 33%] Building CXX object src/dyn/thermostat/CMakeFiles/thermostat_stat.dir/Thermostat_methods.cpp.o[ 33%] Building CXX object src/dyn/barostat/CMakeFiles/barostat_stat.dir/Barostat.cpp.o[ 33%] Building CXX object src/dyn/barostat/CMakeFiles/barostat_stat.dir/Barostat_methods.cpp.oScanning dependencies of target annScanning dependencies of target molint[ 33%] Building CXX object src/calculators/CMakeFiles/calculators_stat.dir/Energy_Electronic.cpp.o[ 33%] Building CXX object src/molint/CMakeFiles/molint_stat.dir/Integral_Electron_Repulsion.cpp.o[ 34%] Building CXX object src/pot/CMakeFiles/pot_stat.dir/Potentials_bonds.cpp.o[ 34%] Building CXX object src/math_ann/CMakeFiles/ann.dir/NeuralNetwork.cpp.o[ 34%] Building CXX object src/pot/CMakeFiles/pot_stat.dir/Potentials_dihedrals.cpp.o[ 34%] Building CXX object src/molint/CMakeFiles/molint_stat.dir/Integral_Kinetic.cpp.o[ 34%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/Atom_Record.cpp.o[ 34%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody_stat.dir/RigidBody_methods1.cpp.o[ 34%] Building CXX object src/molint/CMakeFiles/molint.dir/A_coefficients.cpp.o[ 34%] Building CXX object src/molint/CMakeFiles/molint.dir/Integral_Approx1.cpp.oLinking CXX shared library libhamiltonian_model.so[ 34%] Building CXX object src/molint/CMakeFiles/molint.dir/Integral_Derivative_Couplings.cpp.o[ 35%] Building CXX object src/dyn/thermostat/CMakeFiles/thermostat_stat.dir/libthermostat.cpp.o[ 35%] Building CXX object src/math_ann/CMakeFiles/ann_stat.dir/NeuralNetwork_DataProcessing.cpp.o[ 35%] Built target hamiltonian_model[ 35%] Building CXX object src/calculators/CMakeFiles/calculators_stat.dir/Energy_Nuclear.cpp.o[ 36%] Building CXX object src/dyn/barostat/CMakeFiles/barostat_stat.dir/libbarostat.cpp.o[ 37%] [ 37%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/Bond_Record.cpp.o[ 37%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/Dihedral_Record.cpp.oBuilding CXX object src/dyn_rigidbody/CMakeFiles/rigidbody_stat.dir/RigidBody_methods2.cpp.o[ 37%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/ForceField.cpp.o[ 37%] Building CXX object src/pot/CMakeFiles/pot_stat.dir/Potentials_elec.cpp.o[ 38%] Building CXX object src/molint/CMakeFiles/molint_stat.dir/Integral_Nuclear_Attraction.cpp.o[ 38%] Building CXX object src/math_ann/CMakeFiles/ann_stat.dir/libann.cpp.o[ 38%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/ForceField_methods.cpp.o[ 39%] Building CXX object src/calculators/CMakeFiles/calculators_stat.dir/Excitations.cpp.o[ 39%] Building CXX object src/calculators/CMakeFiles/calculators_stat.dir/Fermi.cpp.o[ 40%] Building CXX object src/molint/CMakeFiles/molint.dir/Integral_Electron_Repulsion.cpp.o[ 41%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/ForceField_methods1.cpp.o[ 41%] Building CXX object src/molint/CMakeFiles/molint_stat.dir/Moments.cpp.oLinking CXX static library libthermostat_stat.a[ 41%] Built target thermostat_stat[ 41%] Building CXX object src/math_ann/CMakeFiles/ann.dir/NeuralNetwork_Algorithms.cpp.o[ 41%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody_stat.dir/RigidBody_methods3.cpp.o[ 42%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody_stat.dir/RigidBody_methods4.cpp.o[ 42%] Building CXX object src/pot/CMakeFiles/pot_stat.dir/Potentials_frag.cpp.oScanning dependencies of target calculatorsLinking CXX static library libbarostat_stat.aScanning dependencies of target rigidbody[ 42%] Built target barostat_stat[ 42%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/ForceField_methods10.cpp.o[ 42%] Building CXX object src/math_ann/CMakeFiles/ann.dir/NeuralNetwork_DataProcessing.cpp.o[ 42%] Building CXX object src/math_ann/CMakeFiles/ann.dir/libann.cpp.o[ 43%] Building CXX object src/pot/CMakeFiles/pot_stat.dir/Potentials_mb_elec.cpp.o[ 43%] Building CXX object src/molint/CMakeFiles/molint.dir/Integral_Kinetic.cpp.o[ 43%] Building CXX object src/calculators/CMakeFiles/calculators.dir/Annihilate.cpp.o[ 43%] Building CXX object src/calculators/CMakeFiles/calculators_stat.dir/Mulliken.cpp.o[ 43%] Building CXX object src/calculators/CMakeFiles/calculators_stat.dir/libcalculators.cpp.o[ 44%] [ 44%] Building CXX object src/molint/CMakeFiles/molint_stat.dir/Multipoles.cpp.oBuilding CXX object src/dyn_rigidbody/CMakeFiles/rigidbody.dir/RigidBody.cpp.o[ 44%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/ForceField_methods2.cpp.o[ 44%] Building CXX object src/pot/CMakeFiles/pot_stat.dir/Potentials_mb_vdw.cpp.oLinking CXX static library libann_stat.a[ 44%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody_stat.dir/RigidBody_methods5_1.cpp.o[ 44%] Built target ann_stat[ 44%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody_stat.dir/RigidBody_methods5_2.cpp.o[ 44%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody_stat.dir/RigidBody_methods5_3.cpp.o[ 45%] [ 45%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody_stat.dir/RigidBody_methods5_4.cpp.oBuilding CXX object src/dyn_rigidbody/CMakeFiles/rigidbody_stat.dir/RigidBody_methods5_5.cpp.o[ 46%] Building CXX object src/calculators/CMakeFiles/calculators.dir/Bands.cpp.o[ 46%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody_stat.dir/RigidBody_methods5_6.cpp.o[ 46%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody_stat.dir/librigidbody.cpp.o[ 46%] Building CXX object src/molint/CMakeFiles/molint.dir/Integral_Nuclear_Attraction.cpp.o[ 46%] Building CXX object src/calculators/CMakeFiles/calculators.dir/Density_Matrix.cpp.o[ 46%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/ForceField_methods3.cpp.o[ 46%] Building CXX object src/molint/CMakeFiles/molint_stat.dir/Overlaps.cpp.o[ 46%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/ForceField_methods4.cpp.o[ 47%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/ForceField_methods5.cpp.o[ 47%] Building CXX object src/pot/CMakeFiles/pot_stat.dir/Potentials_oop.cpp.o[ 47%] Building CXX object src/calculators/CMakeFiles/calculators.dir/Energy_Electronic.cpp.oLinking CXX static library libcalculators_stat.a[ 47%] Building CXX object src/calculators/CMakeFiles/calculators.dir/Energy_Nuclear.cpp.o[ 47%] Building CXX object src/pot/CMakeFiles/pot_stat.dir/Potentials_stretch_bend.cpp.o[ 47%] Built target calculators_stat[ 47%] Building CXX object src/pot/CMakeFiles/pot_stat.dir/Potentials_vdw.cpp.o[ 47%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody.dir/RigidBody_methods.cpp.oLinking CXX shared library libann.so[ 47%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody.dir/RigidBody_methods1.cpp.o[ 47%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody.dir/RigidBody_methods2.cpp.o[ 48%] Building CXX object src/pot/CMakeFiles/pot_stat.dir/Switching_functions.cpp.o[ 48%] Built target annScanning dependencies of target pot[ 48%] Building CXX object src/molint/CMakeFiles/molint.dir/Moments.cpp.o[ 49%] Building CXX object src/calculators/CMakeFiles/calculators.dir/Excitations.cpp.o[ 49%] Building CXX object src/molint/CMakeFiles/molint_stat.dir/Pseudopotential.cpp.o[ 49%] Building CXX object src/calculators/CMakeFiles/calculators.dir/Fermi.cpp.o[ 50%] Building CXX object src/pot/CMakeFiles/pot.dir/Potentials_angles.cpp.o[ 50%] Building CXX object src/pot/CMakeFiles/pot.dir/Potentials_bonds.cpp.oScanning dependencies of target forcefield[ 50%] Building CXX object src/calculators/CMakeFiles/calculators.dir/Mulliken.cpp.o[ 50%] Building CXX object src/calculators/CMakeFiles/calculators.dir/libcalculators.cpp.oScanning dependencies of target thermostatScanning dependencies of target barostat[ 50%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/ForceField_methods6.cpp.o[ 50%] Building CXX object src/pot/CMakeFiles/pot_stat.dir/libpot.cpp.o[ 50%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/ForceField_methods7.cpp.o[ 51%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody.dir/RigidBody_methods3.cpp.o[ 52%] Building CXX object src/molint/CMakeFiles/molint.dir/Multipoles.cpp.oLinking CXX static library librigidbody_stat.a[ 52%] Building CXX object src/dyn/thermostat/CMakeFiles/thermostat.dir/Thermostat.cpp.o[ 52%] Built target rigidbody_stat[ 53%] Building CXX object src/dyn/thermostat/CMakeFiles/thermostat.dir/Thermostat_methods.cpp.o[ 54%] Building CXX object src/dyn/barostat/CMakeFiles/barostat.dir/Barostat.cpp.o[ 54%] Building CXX object src/dyn/barostat/CMakeFiles/barostat.dir/Barostat_methods.cpp.o[ 55%] Building CXX object src/molint/CMakeFiles/molint_stat.dir/libmolint.cpp.o[ 55%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/Angle_Record.cpp.o[ 55%] Building CXX object src/dyn/barostat/CMakeFiles/barostat.dir/libbarostat.cpp.o[ 55%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody.dir/RigidBody_methods4.cpp.o[ 55%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody.dir/RigidBody_methods5_1.cpp.o[ 55%] Building CXX object src/pot/CMakeFiles/pot.dir/Potentials_dihedrals.cpp.o[ 55%] Building CXX object src/pot/CMakeFiles/pot.dir/Potentials_elec.cpp.o[ 56%] Building CXX object src/pot/CMakeFiles/pot.dir/Potentials_frag.cpp.o[ 56%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/ForceField_methods8.cpp.oLinking CXX shared library libcalculators.so[ 56%] Building CXX object src/molint/CMakeFiles/molint.dir/Overlaps.cpp.oLinking CXX static library libpot_stat.a[ 56%] Building CXX object src/molint/CMakeFiles/molint.dir/Pseudopotential.cpp.o[ 56%] Built target pot_stat[ 56%] Building CXX object src/molint/CMakeFiles/molint.dir/libmolint.cpp.o[ 56%] Building CXX object src/dyn/thermostat/CMakeFiles/thermostat.dir/libthermostat.cpp.o[ 56%] Built target calculators[ 57%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/ForceField_methods9.cpp.o[ 57%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/Fragment_Record.cpp.o[ 57%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/dreiding_types.cpp.o[ 57%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/Atom_Record.cpp.o[ 57%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/Bond_Record.cpp.oScanning dependencies of target mol_stat[ 57%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody.dir/RigidBody_methods5_2.cpp.o[ 57%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody.dir/RigidBody_methods5_3.cpp.o[ 57%] Building CXX object src/pot/CMakeFiles/pot.dir/Potentials_mb_elec.cpp.oLinking CXX shared library libbarostat.so[ 57%] Building CXX object src/pot/CMakeFiles/pot.dir/Potentials_mb_vdw.cpp.o[ 57%] [ 57%] Building CXX object src/chemobjects/mol/CMakeFiles/mol_stat.dir/Atom.cpp.oBuilding CXX object src/pot/CMakeFiles/pot.dir/Potentials_oop.cpp.o[ 58%] Building CXX object src/pot/CMakeFiles/pot.dir/Potentials_stretch_bend.cpp.o[ 58%] Built target barostat[ 58%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/Dihedral_Record.cpp.o[ 58%] Building CXX object src/pot/CMakeFiles/pot.dir/Potentials_vdw.cpp.oLinking CXX static library libmolint_stat.a[ 58%] Built target molint_stat[ 58%] Building CXX object src/pot/CMakeFiles/pot.dir/Switching_functions.cpp.o[ 58%] Building CXX object src/pot/CMakeFiles/pot.dir/libpot.cpp.oLinking CXX shared library libthermostat.so[ 58%] Built target thermostat[ 59%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody.dir/RigidBody_methods5_4.cpp.oScanning dependencies of target mol[ 59%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/gaff_types.cpp.o[ 59%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody.dir/RigidBody_methods5_5.cpp.o[ 59%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody.dir/RigidBody_methods5_6.cpp.o[ 59%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/libforcefield.cpp.o[ 59%] Building CXX object src/chemobjects/mol/CMakeFiles/mol.dir/Atom.cpp.o[ 59%] Linking CXX shared library libmolint.soBuilding CXX object src/chemobjects/mol/CMakeFiles/mol_stat.dir/Group.cpp.o[ 59%] Building CXX object src/chemobjects/mol/CMakeFiles/mol_stat.dir/Molecule.cpp.o[ 60%] Building CXX object src/chemobjects/mol/CMakeFiles/mol_stat.dir/libmol.cpp.o[ 60%] Building CXX object src/dyn_rigidbody/CMakeFiles/rigidbody.dir/librigidbody.cpp.o[ 61%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/mmff94_types.cpp.o[ 61%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/tip3p_types.cpp.o[ 62%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/ForceField.cpp.o[ 62%] Built target molint[ 62%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/tripos_types.cpp.oLinking CXX shared library libpot.so[ 62%] Building CXX object src/chemobjects/mol/CMakeFiles/mol.dir/Group.cpp.o[ 63%] Building CXX object src/chemobjects/mol/CMakeFiles/mol.dir/Molecule.cpp.o[ 63%] Building CXX object src/chemobjects/mol/CMakeFiles/mol.dir/libmol.cpp.o[ 63%] Built target potScanning dependencies of target qobjects_stat[ 63%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/ForceField_methods.cpp.o[ 63%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/ForceField_methods1.cpp.o[ 64%] Building CXX object src/qobjects/CMakeFiles/qobjects_stat.dir/AO.cpp.o[ 64%] Building CXX object src/qobjects/CMakeFiles/qobjects_stat.dir/PW.cpp.o[ 64%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/ForceField_methods10.cpp.o[ 65%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/ForceField_methods2.cpp.oScanning dependencies of target qobjects[ 65%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/ForceField_methods3.cpp.o[ 65%] [ 65%] Building CXX object src/forcefield/CMakeFiles/forcefield_stat.dir/uff_types.cpp.oBuilding CXX object src/qobjects/CMakeFiles/qobjects_stat.dir/PrimitiveG.cpp.o[ 65%] Building CXX object src/qobjects/CMakeFiles/qobjects.dir/AO.cpp.o[ 65%] Building CXX object src/qobjects/CMakeFiles/qobjects_stat.dir/SD.cpp.o[ 66%] Building CXX object src/qobjects/CMakeFiles/qobjects.dir/PW.cpp.o[ 66%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/ForceField_methods4.cpp.o[ 66%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/ForceField_methods5.cpp.o[ 66%] Building CXX object src/qobjects/CMakeFiles/qobjects.dir/PrimitiveG.cpp.o[ 66%] Building CXX object src/qobjects/CMakeFiles/qobjects.dir/SD.cpp.o[ 66%] Building CXX object src/qobjects/CMakeFiles/qobjects.dir/libqobjects.cpp.o[ 66%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/ForceField_methods6.cpp.o[ 66%] Building CXX object src/qobjects/CMakeFiles/qobjects_stat.dir/libqobjects.cpp.o[ 67%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/ForceField_methods7.cpp.o[ 67%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/ForceField_methods8.cpp.oLinking CXX shared library librigidbody.so[ 67%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/ForceField_methods9.cpp.o[ 67%] Built target rigidbody[ 67%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/Fragment_Record.cpp.o[ 68%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/dreiding_types.cpp.o[ 68%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/gaff_types.cpp.o[ 68%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/libforcefield.cpp.o[ 68%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/mmff94_types.cpp.o[ 68%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/tip3p_types.cpp.o[ 69%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/tripos_types.cpp.o[ 69%] Building CXX object src/forcefield/CMakeFiles/forcefield.dir/uff_types.cpp.oLinking CXX shared library libmol.soLinking CXX static library libmol_stat.a[ 69%] [ 69%] Built target molBuilt target mol_statScanning dependencies of target chemsys_statScanning dependencies of target chemsys[ 69%] [ 70%] [ 70%] Building CXX object src/chemobjects/chemsys/CMakeFiles/chemsys.dir/System.cpp.o[ 70%] [ 71%] Building CXX object src/chemobjects/chemsys/CMakeFiles/chemsys.dir/System_methods.cpp.oBuilding CXX object src/chemobjects/chemsys/CMakeFiles/chemsys.dir/System_methods1.cpp.o[ 71%] Building CXX object src/chemobjects/chemsys/CMakeFiles/chemsys.dir/System_methods2.cpp.o[ 71%] Building CXX object src/chemobjects/chemsys/CMakeFiles/chemsys_stat.dir/System.cpp.oBuilding CXX object src/chemobjects/chemsys/CMakeFiles/chemsys_stat.dir/System_methods.cpp.o[ 71%] Building CXX object src/chemobjects/chemsys/CMakeFiles/chemsys.dir/System_methods3.cpp.o[ 71%] [ 72%] Building CXX object src/chemobjects/chemsys/CMakeFiles/chemsys.dir/System_methods4.cpp.o[ 72%] Building CXX object src/chemobjects/chemsys/CMakeFiles/chemsys_stat.dir/System_methods1.cpp.o[ 72%] Building CXX object src/chemobjects/chemsys/CMakeFiles/chemsys.dir/System_methods5.cpp.oBuilding CXX object src/chemobjects/chemsys/CMakeFiles/chemsys_stat.dir/System_methods2.cpp.oBuilding CXX object src/chemobjects/chemsys/CMakeFiles/chemsys_stat.dir/System_methods3.cpp.oLinking CXX static library libforcefield_stat.a[ 72%] Built target forcefield_stat[ 72%] Building CXX object src/chemobjects/chemsys/CMakeFiles/chemsys.dir/System_methods6.cpp.o[ 72%] Building CXX object src/chemobjects/chemsys/CMakeFiles/chemsys.dir/System_methods7.cpp.o[ 72%] Building CXX object src/chemobjects/chemsys/CMakeFiles/chemsys.dir/libchemsys.cpp.o[ 73%] Building CXX object src/chemobjects/chemsys/CMakeFiles/chemsys_stat.dir/System_methods4.cpp.o[ 73%] Building CXX object src/chemobjects/chemsys/CMakeFiles/chemsys_stat.dir/System_methods5.cpp.o[ 73%] Building CXX object src/chemobjects/chemsys/CMakeFiles/chemsys_stat.dir/System_methods6.cpp.o[ 73%] Building CXX object src/chemobjects/chemsys/CMakeFiles/chemsys_stat.dir/System_methods7.cpp.o[ 74%] Building CXX object src/chemobjects/chemsys/CMakeFiles/chemsys_stat.dir/libchemsys.cpp.oLinking CXX shared library libforcefield.soLinking CXX shared library libchemsys.soLinking CXX shared library libqobjects.soLinking CXX static library libqobjects_stat.aLinking CXX static library libchemsys_stat.a[ 74%] Built target chemsys[ 74%] Built target chemsys_statScanning dependencies of target chemobjects_statScanning dependencies of target chemobjects[ 74%] Built target forcefield[ 74%] Built target qobjects_statScanning dependencies of target model_parameters_statScanning dependencies of target basis_statScanning dependencies of target basisScanning dependencies of target model_parameters[ 74%] [ 74%] Building CXX object src/chemobjects/CMakeFiles/chemobjects_stat.dir/libchemobjects.cpp.oBuilding CXX object src/chemobjects/CMakeFiles/chemobjects.dir/libchemobjects.cpp.o[ 74%] [ 74%] [ 74%] Building CXX object src/model_parameters/CMakeFiles/model_parameters_stat.dir/Model_Parameters.cpp.oBuilding CXX object src/model_parameters/CMakeFiles/model_parameters_stat.dir/Model_Parameters_EHT.cpp.o[ 75%] Building CXX object src/model_parameters/CMakeFiles/model_parameters_stat.dir/Model_Parameters_HF.cpp.oBuilding CXX object src/model_parameters/CMakeFiles/model_parameters_stat.dir/Model_Parameters_INDO.cpp.o[ 75%] Building CXX object src/model_parameters/CMakeFiles/model_parameters_stat.dir/libmodel_parameters.cpp.o[ 75%] Built target qobjects[ 75%] [ 75%] [ 75%] [ 75%] Building CXX object src/basis/CMakeFiles/basis.dir/Basis.cpp.o[ 76%] [ 76%] Building CXX object src/basis/CMakeFiles/basis.dir/Basis_map.cpp.oBuilding CXX object src/basis/CMakeFiles/basis.dir/Basis_nac.cpp.oBuilding CXX object src/basis/CMakeFiles/basis_stat.dir/Basis.cpp.oBuilding CXX object src/basis/CMakeFiles/basis_stat.dir/Basis_map.cpp.o[ 77%] Building CXX object src/basis/CMakeFiles/basis_stat.dir/Basis_nac.cpp.o[ 77%] Building CXX object src/basis/CMakeFiles/basis.dir/Basis_ovlp.cpp.oBuilding CXX object src/basis/CMakeFiles/basis.dir/basisset.cpp.o[ 77%] Building CXX object src/model_parameters/CMakeFiles/model_parameters.dir/Model_Parameters.cpp.o[ 77%] Building CXX object src/model_parameters/CMakeFiles/model_parameters.dir/Model_Parameters_EHT.cpp.oLinking CXX shared library libchemobjects.soLinking CXX static library libchemobjects_stat.a[ 77%] Built target chemobjects_stat[ 77%] Building CXX object src/basis/CMakeFiles/basis_stat.dir/Basis_ovlp.cpp.o[ 77%] Building CXX object src/basis/CMakeFiles/basis_stat.dir/basisset.cpp.oScanning dependencies of target hamiltonian_mm_stat[ 77%] Building CXX object src/model_parameters/CMakeFiles/model_parameters.dir/Model_Parameters_HF.cpp.o[ 77%] Building CXX object src/basis/CMakeFiles/basis_stat.dir/libbasis.cpp.o[ 78%] Building CXX object src/model_parameters/CMakeFiles/model_parameters.dir/Model_Parameters_INDO.cpp.o[ 78%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_MM/CMakeFiles/hamiltonian_mm_stat.dir/Hamiltonian_MM.cpp.oScanning dependencies of target hamiltonian_mm[ 78%] Built target chemobjects[ 78%] [ 78%] Building CXX object src/basis/CMakeFiles/basis.dir/libbasis.cpp.oBuilding CXX object src/model_parameters/CMakeFiles/model_parameters.dir/libmodel_parameters.cpp.o[ 78%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_MM/CMakeFiles/hamiltonian_mm_stat.dir/Hamiltonian_MM_methods1.cpp.o[ 79%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_MM/CMakeFiles/hamiltonian_mm_stat.dir/Hamiltonian_MM_methods2.cpp.o[ 79%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_MM/CMakeFiles/hamiltonian_mm_stat.dir/libhamiltonian_mm.cpp.o[ 79%] [ 80%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_MM/CMakeFiles/hamiltonian_mm.dir/Hamiltonian_MM.cpp.o[ 80%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_MM/CMakeFiles/hamiltonian_mm.dir/Hamiltonian_MM_methods1.cpp.oBuilding CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_MM/CMakeFiles/hamiltonian_mm.dir/Hamiltonian_MM_methods2.cpp.o[ 80%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_MM/CMakeFiles/hamiltonian_mm.dir/libhamiltonian_mm.cpp.oLinking CXX static library libhamiltonian_mm_stat.a[ 80%] Built target hamiltonian_mm_statLinking CXX shared library libhamiltonian_mm.so[ 80%] Built target hamiltonian_mmLinking CXX static library libbasis_stat.a[ 80%] Built target basis_statLinking CXX shared library libbasis.so[ 80%] Built target basisLinking CXX static library libmodel_parameters_stat.a[ 80%] Built target model_parameters_statScanning dependencies of target basis_setupsScanning dependencies of target basis_setups_stat[ 80%] [ 80%] Building CXX object src/basis_setups/CMakeFiles/basis_setups.dir/libbasis_setups.cpp.oBuilding CXX object src/basis_setups/CMakeFiles/basis_setups.dir/Basis_STO_3G_DZ.cpp.o[ 81%] [ 81%] Building CXX object src/basis_setups/CMakeFiles/basis_setups_stat.dir/libbasis_setups.cpp.oBuilding CXX object src/basis_setups/CMakeFiles/basis_setups_stat.dir/Basis_STO_3G_DZ.cpp.oLinking CXX static library libbasis_setups_stat.aLinking CXX shared library libbasis_setups.soLinking CXX shared library libmodel_parameters.so[ 81%] Built target basis_setups_statScanning dependencies of target hamiltonian_qmScanning dependencies of target hamiltonian_qm_stat[ 81%] Built target basis_setups[ 81%] [ 81%] [ 82%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm.dir/Electronic_Structure.cpp.o[ 82%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm.dir/Hamiltonian_EHT.cpp.oBuilding CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm.dir/Hamiltonian_HF.cpp.o[ 82%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm.dir/Hamiltonian_INDO.cpp.o[ 82%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm.dir/Hamiltonian_QM.cpp.o[ 82%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm.dir/SCF.cpp.oBuilding CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm.dir/SCF_none.cpp.o[ 83%] [ 83%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm.dir/SCF_oda.cpp.oBuilding CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm.dir/SCF_oda_disk.cpp.o[ 83%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm.dir/libhamiltonian_qm.cpp.o[ 83%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm_stat.dir/Electronic_Structure.cpp.o[ 84%] [ 84%] [ 84%] [ 84%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm_stat.dir/Hamiltonian_EHT.cpp.oBuilding CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm_stat.dir/Hamiltonian_HF.cpp.oBuilding CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm_stat.dir/Hamiltonian_INDO.cpp.oBuilding CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm_stat.dir/Hamiltonian_QM.cpp.o[ 84%] Built target model_parameters[ 84%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm_stat.dir/SCF.cpp.o[ 85%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm_stat.dir/SCF_none.cpp.o[ 85%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm_stat.dir/SCF_oda.cpp.o[ 85%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm_stat.dir/SCF_oda_disk.cpp.o[ 85%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/Hamiltonian_QM/CMakeFiles/hamiltonian_qm_stat.dir/libhamiltonian_qm.cpp.oLinking CXX shared library libhamiltonian_qm.so[ 85%] Built target hamiltonian_qmLinking CXX static library libhamiltonian_qm_stat.a[ 85%] Built target hamiltonian_qm_statScanning dependencies of target hamiltonian_atomistic_statScanning dependencies of target hamiltonian_atomistic[ 85%] [ 85%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/CMakeFiles/hamiltonian_atomistic_stat.dir/Hamiltonian_Atomistic.cpp.oBuilding CXX object src/hamiltonian/Hamiltonian_Atomistic/CMakeFiles/hamiltonian_atomistic_stat.dir/libhamiltonian_atomistic.cpp.o[ 86%] [ 86%] Building CXX object src/hamiltonian/Hamiltonian_Atomistic/CMakeFiles/hamiltonian_atomistic.dir/libhamiltonian_atomistic.cpp.oBuilding CXX object src/hamiltonian/Hamiltonian_Atomistic/CMakeFiles/hamiltonian_atomistic.dir/Hamiltonian_Atomistic.cpp.oLinking CXX shared library libhamiltonian_atomistic.soLinking CXX static library libhamiltonian_atomistic_stat.a[ 86%] Built target hamiltonian_atomistic_statScanning dependencies of target hamiltonianScanning dependencies of target hamiltonian_stat[ 86%] Building CXX object src/hamiltonian/CMakeFiles/hamiltonian.dir/libhamiltonian.cpp.o[ 87%] Building CXX object src/hamiltonian/CMakeFiles/hamiltonian_stat.dir/libhamiltonian.cpp.o[ 87%] Built target hamiltonian_atomisticLinking CXX static library libhamiltonian_stat.a[ 87%] Built target hamiltonian_statScanning dependencies of target wfcgridScanning dependencies of target wfcgrid_statScanning dependencies of target electronicScanning dependencies of target qchem_tools_statScanning dependencies of target electronic_statScanning dependencies of target qchem_tools[ 87%] [ 87%] Building CXX object src/qchem_tools/CMakeFiles/qchem_tools_stat.dir/Charge_Density.cpp.o[ 87%] Building CXX object src/qchem_tools/CMakeFiles/qchem_tools_stat.dir/DOS.cpp.oBuilding CXX object src/qchem_tools/CMakeFiles/qchem_tools_stat.dir/libqchem_tools.cpp.oLinking CXX shared library libhamiltonian.so[ 87%] Building CXX object src/qchem_tools/CMakeFiles/qchem_tools.dir/Charge_Density.cpp.o[ 87%] [ 88%] Building CXX object src/qchem_tools/CMakeFiles/qchem_tools.dir/DOS.cpp.oBuilding CXX object src/qchem_tools/CMakeFiles/qchem_tools.dir/libqchem_tools.cpp.o[ 88%] [ 88%] Building CXX object src/dyn/electronic/CMakeFiles/electronic_stat.dir/Electronic_Dynamics1.cpp.oBuilding CXX object src/dyn/electronic/CMakeFiles/electronic_stat.dir/Electronic.cpp.o[ 89%] Building CXX object src/dyn/electronic/CMakeFiles/electronic_stat.dir/libelectronic.cpp.o[ 90%] [ 90%] [ 90%] [ 90%] [ 90%] Building CXX object src/dyn/wfcgrid/CMakeFiles/wfcgrid.dir/Grid_functions.cpp.oBuilding CXX object src/dyn/wfcgrid/CMakeFiles/wfcgrid.dir/Wfcgrid.cpp.oBuilding CXX object src/dyn/electronic/CMakeFiles/electronic.dir/Electronic.cpp.oBuilding CXX object src/dyn/electronic/CMakeFiles/electronic.dir/libelectronic.cpp.oBuilding CXX object src/dyn/electronic/CMakeFiles/electronic.dir/Electronic_Dynamics1.cpp.o[ 90%] Building CXX object src/dyn/wfcgrid/CMakeFiles/wfcgrid_stat.dir/Grid_functions.cpp.o[ 90%] Built target hamiltonian[ 90%] Building CXX object src/dyn/wfcgrid/CMakeFiles/wfcgrid_stat.dir/Wfcgrid.cpp.o[ 90%] [ 90%] Building CXX object src/dyn/wfcgrid/CMakeFiles/wfcgrid_stat.dir/Wfcgrid_Dynamics1.cpp.oBuilding CXX object src/dyn/wfcgrid/CMakeFiles/wfcgrid.dir/Wfcgrid_Dynamics1.cpp.o[ 91%] Building CXX object src/dyn/wfcgrid/CMakeFiles/wfcgrid.dir/libwfcgrid.cpp.o[ 92%] Building CXX object src/dyn/wfcgrid/CMakeFiles/wfcgrid_stat.dir/libwfcgrid.cpp.oLinking CXX shared library libqchem_tools.soLinking CXX static library libqchem_tools_stat.a[ 92%] Built target qchem_tools_stat[ 92%] Built target qchem_toolsLinking CXX static library libelectronic_stat.a[ 92%] Built target electronic_statScanning dependencies of target ensemble_statScanning dependencies of target ensembleLinking CXX shared library libelectronic.so[ 92%] [ 92%] [ 92%] Building CXX object src/dyn/ensemble/CMakeFiles/ensemble_stat.dir/Ensemble.cpp.o[ 93%] Building CXX object src/dyn/ensemble/CMakeFiles/ensemble_stat.dir/libensemble.cpp.oBuilding CXX object src/dyn/ensemble/CMakeFiles/ensemble.dir/Ensemble.cpp.oBuilding CXX object src/dyn/ensemble/CMakeFiles/ensemble.dir/libensemble.cpp.o[ 93%] Built target electronicLinking CXX static library libwfcgrid_stat.a[ 93%] Built target wfcgrid_statLinking CXX shared library libwfcgrid.so[ 93%] Built target wfcgridLinking CXX static library libensemble_stat.a[ 93%] Built target ensemble_statScanning dependencies of target dynScanning dependencies of target dyn_statLinking CXX shared library libensemble.so[ 93%] [ 93%] [ 94%] [ 94%] Building CXX object src/dyn/CMakeFiles/dyn_stat.dir/Dynamics_Ensemble.cpp.o[ 94%] Building CXX object src/dyn/CMakeFiles/dyn_stat.dir/Dynamics_Nuclear.cpp.oBuilding CXX object src/dyn/CMakeFiles/dyn_stat.dir/Energy_and_Forces.cpp.oBuilding CXX object src/dyn/CMakeFiles/dyn_stat.dir/Surface_Hopping.cpp.o[ 94%] Building CXX object src/dyn/CMakeFiles/dyn_stat.dir/Surface_Hopping_method1.cpp.oBuilding CXX object src/dyn/CMakeFiles/dyn_stat.dir/libdyn.cpp.o[ 94%] [ 94%] [ 94%] Building CXX object src/dyn/CMakeFiles/dyn.dir/Dynamics_Ensemble.cpp.oBuilding CXX object src/dyn/CMakeFiles/dyn.dir/Dynamics_Nuclear.cpp.oBuilding CXX object src/dyn/CMakeFiles/dyn.dir/Energy_and_Forces.cpp.o[ 94%] Building CXX object src/dyn/CMakeFiles/dyn.dir/Surface_Hopping.cpp.o[ 95%] [ 95%] Building CXX object src/dyn/CMakeFiles/dyn.dir/Surface_Hopping_method1.cpp.oBuilding CXX object src/dyn/CMakeFiles/dyn.dir/libdyn.cpp.o[ 95%] Built target ensembleLinking CXX shared library libdyn.soLinking CXX static library libdyn_stat.a[ 95%] Built target dyn_statScanning dependencies of target converters_statScanning dependencies of target convertersScanning dependencies of target state_statScanning dependencies of target state[ 95%] Building CXX object src/converters/CMakeFiles/converters_stat.dir/converters.cpp.o[ 96%] Building CXX object src/converters/CMakeFiles/converters_stat.dir/libconverters.cpp.o[ 96%] [ 96%] Building CXX object src/converters/CMakeFiles/converters.dir/converters.cpp.oBuilding CXX object src/converters/CMakeFiles/converters.dir/libconverters.cpp.o[ 97%] [ 97%] [ 97%] Building CXX object src/scripts/state/CMakeFiles/state.dir/State_methods.cpp.oBuilding CXX object src/scripts/state/CMakeFiles/state.dir/State.cpp.o[ 97%] Building CXX object src/scripts/state/CMakeFiles/state.dir/libstate.cpp.oBuilding CXX object src/scripts/state/CMakeFiles/state.dir/State_methods1.cpp.o[ 98%] [ 98%] [ 98%] Building CXX object src/scripts/state/CMakeFiles/state_stat.dir/State_methods.cpp.oBuilding CXX object src/scripts/state/CMakeFiles/state_stat.dir/State.cpp.oBuilding CXX object src/scripts/state/CMakeFiles/state_stat.dir/State_methods1.cpp.o[ 98%] Building CXX object src/scripts/state/CMakeFiles/state_stat.dir/libstate.cpp.o[ 98%] Built target dynLinking CXX static library libstate_stat.a[ 98%] Built target state_statScanning dependencies of target scriptsScanning dependencies of target scripts_statLinking CXX shared library libstate.so[ 99%] [ 99%] Building CXX object src/scripts/CMakeFiles/scripts_stat.dir/libscripts.cpp.oBuilding CXX object src/scripts/CMakeFiles/scripts.dir/libscripts.cpp.o[ 99%] Built target stateLinking CXX shared library libscripts.soLinking CXX static library libscripts_stat.a[ 99%] Built target scripts_stat[ 99%] Built target scriptsLinking CXX static library libconverters_stat.a[ 99%] Built target converters_statScanning dependencies of target libra_core_statScanning dependencies of target libra_coreLinking CXX shared library libconverters.so[100%] Building CXX object src/CMakeFiles/libra_core.dir/liblibra_core.cpp.o[100%] Building CXX object src/CMakeFiles/libra_core_stat.dir/liblibra_core.cpp.o[100%] Built target convertersLinking CXX static library liblibra_core_stat.a[100%] Built target libra_core_statLinking CXX shared library liblibra_core.so[100%] Built target libra_core
not produce liblibra_core,
[misaraty@server64_ib bin]$ lsCMakeCache.txt CMakeFiles cmake_install.cmake Makefile srccp /backup/home/misaraty/soft/libra-code-master/src/libra_py/* ./cd /backup/home/misaraty/soft/libra-code-master/tests/test_libra_py/test_1_init_system
modify .bahsrc
# Libraexport PYTHONPATH=/backup/home/misaraty/soft/libra-code-master/bin/src:$PYTHONPATHexport LD_LIBRARY_PATH=/backup/home/misaraty/soft/libra-code-master/bin/src:$LD_LIBRARY_PATH[misaraty@server64_ib test_1_init_system]$ source /backup/home/misaraty/.bashrc && python run_test.py Traceback (most recent call last): File "run_test.py", line 23, in <module> from liblibra_core import *ImportError: /backup/home/misaraty/soft/libra-code-master/bin/src/liblibra_core.so: undefined symbol: _ZNK5boost16re_detail_10630031cpp_regex_traits_implementationIcE9transformEPKcS4_Best,
misaraty
Alexey Akimov
Sep 1, 2017, 4:35:28 AM9/1/17
to Quantum-Dynamics-Hub
Hi Misaraty,
First of all - the liblibra_core is produced - it is in _build/src . Your problem is related to the Boost libraries not properly linked to the libra binary (hence the error message). I see that you do some non-standard tweaking of the CMakeLists.txt file - e.g. you set some variables. This may somehow affect the build process. The best way is to minimize everything one does manually - e.g. make the FIND_PAKAGE function discover all needed packages. Have you tried building the latest version of code?
Also, you don't need to copy liblira_py to the _build/src - this is done during the build. There is also the cmake rule: copy-libra-py, which will do copying of the Python source to the corresponding "bin" folder for you.
Finally, after you set the environmental variables - don't forget to restart your terminal.
Hope this helps,
Alexey
misa...@gmail.com
Sep 4, 2017, 12:29:25 PM9/4/17
to Quantum-Dynamics-Hub
Hi Alexey,
Thank you for your reply, because I am busy testing during these days and not promptly replying to you, please forgive me.
The current test results are as follows,
>>> import liblibra_core__main__:1: RuntimeWarning: to-Python converter for liblibra::libforcefield::Atom_Record already registered; second conversion method ignored.__main__:1: RuntimeWarning: to-Python converter for std::vector<liblibra::libforcefield::Atom_Record, std::allocator<liblibra::libforcefield::Atom_Record> > already registered; second conversion method ignored.__main__:1: RuntimeWarning: to-Python converter for boost::python::detail::container_element<std::vector<liblibra::libforcefield::Atom_Record, std::allocator<liblibra::libforcefield::Atom_Record> >, unsigned long, boost::python::detail::final_vector_derived_policies<std::vector<liblibra::libforcefield::Atom_Record, std::allocator<liblibra::libforcefield::Atom_Record> >, false> > already registered; second conversion method ignored.__main__:1: RuntimeWarning: to-Python converter for liblibra::libforcefield::Bond_Record already registered; second conversion method ignored.__main__:1: RuntimeWarning: to-Python converter for std::vector<liblibra::libforcefield::Bond_Record, std::allocator<liblibra::libforcefield::Bond_Record> > already registered; second conversion method ignored.__main__:1: RuntimeWarning: to-Python converter for boost::python::detail::container_element<std::vector<liblibra::libforcefield::Bond_Record, std::allocator<liblibra::libforcefield::Bond_Record> >, unsigned long, boost::python::detail::final_vector_derived_policies<std::vector<liblibra::libforcefield::Bond_Record, std::allocator<liblibra::libforcefield::Bond_Record> >, false> > already registered; second conversion method ignored.__main__:1: RuntimeWarning: to-Python converter for liblibra::libforcefield::Angle_Record already registered; second conversion method ignored.__main__:1: RuntimeWarning: to-Python converter for std::vector<liblibra::libforcefield::Angle_Record, std::allocator<liblibra::libforcefield::Angle_Record> > already registered; second conversion method ignored.__main__:1: RuntimeWarning: to-Python converter for boost::python::detail::container_element<std::vector<liblibra::libforcefield::Angle_Record, std::allocator<liblibra::libforcefield::Angle_Record> >, unsigned long, boost::python::detail::final_vector_derived_policies<std::vector<liblibra::libforcefield::Angle_Record, std::allocator<liblibra::libforcefield::Angle_Record> >, false> > already registered; second conversion method ignored.__main__:1: RuntimeWarning: to-Python converter for liblibra::libforcefield::Dihedral_Record already registered; second conversion method ignored.__main__:1: RuntimeWarning: to-Python converter for std::vector<liblibra::libforcefield::Dihedral_Record, std::allocator<liblibra::libforcefield::Dihedral_Record> > already registered; second conversion method ignored.__main__:1: RuntimeWarning: to-Python converter for boost::python::detail::container_element<std::vector<liblibra::libforcefield::Dihedral_Record, std::allocator<liblibra::libforcefield::Dihedral_Record> >, unsigned long, boost::python::detail::final_vector_derived_policies<std::vector<liblibra::libforcefield::Dihedral_Record, std::allocator<liblibra::libforcefield::Dihedral_Record> >, false> > already registered; second conversion method ignored.__main__:1: RuntimeWarning: to-Python converter for liblibra::libforcefield::Fragment_Record already registered; second conversion method ignored.__main__:1: RuntimeWarning: to-Python converter for liblibra::libforcefield::ForceField already registered; second conversion method ignored.Do you think it is normal?
Thank you, I wish you all the best.
Misaraty
misa...@gmail.com
Sep 4, 2017, 9:15:32 PM9/4/17
to Quantum-Dynamics-Hub
Hi Alexey,
I added the test,
[misaraty@server64_ib test_1_init_system]$ python run_test.py run_test.py:21: RuntimeWarning: to-Python converter for liblibra::libforcefield::Atom_Record already registered; second conversion method ignored. from liblibra_core import *run_test.py:21: RuntimeWarning: to-Python converter for std::vector<liblibra::libforcefield::Atom_Record, std::allocator<liblibra::libforcefield::Atom_Record> > already registered; second conversion method ignored. from liblibra_core import *run_test.py:21: RuntimeWarning: to-Python converter for boost::python::detail::container_element<std::vector<liblibra::libforcefield::Atom_Record, std::allocator<liblibra::libforcefield::Atom_Record> >, unsigned long, boost::python::detail::final_vector_derived_policies<std::vector<liblibra::libforcefield::Atom_Record, std::allocator<liblibra::libforcefield::Atom_Record> >, false> > already registered; second conversion method ignored. from liblibra_core import *run_test.py:21: RuntimeWarning: to-Python converter for liblibra::libforcefield::Bond_Record already registered; second conversion method ignored. from liblibra_core import *run_test.py:21: RuntimeWarning: to-Python converter for std::vector<liblibra::libforcefield::Bond_Record, std::allocator<liblibra::libforcefield::Bond_Record> > already registered; second conversion method ignored. from liblibra_core import *run_test.py:21: RuntimeWarning: to-Python converter for boost::python::detail::container_element<std::vector<liblibra::libforcefield::Bond_Record, std::allocator<liblibra::libforcefield::Bond_Record> >, unsigned long, boost::python::detail::final_vector_derived_policies<std::vector<liblibra::libforcefield::Bond_Record, std::allocator<liblibra::libforcefield::Bond_Record> >, false> > already registered; second conversion method ignored. from liblibra_core import *run_test.py:21: RuntimeWarning: to-Python converter for liblibra::libforcefield::Angle_Record already registered; second conversion method ignored. from liblibra_core import *run_test.py:21: RuntimeWarning: to-Python converter for std::vector<liblibra::libforcefield::Angle_Record, std::allocator<liblibra::libforcefield::Angle_Record> > already registered; second conversion method ignored. from liblibra_core import *run_test.py:21: RuntimeWarning: to-Python converter for boost::python::detail::container_element<std::vector<liblibra::libforcefield::Angle_Record, std::allocator<liblibra::libforcefield::Angle_Record> >, unsigned long, boost::python::detail::final_vector_derived_policies<std::vector<liblibra::libforcefield::Angle_Record, std::allocator<liblibra::libforcefield::Angle_Record> >, false> > already registered; second conversion method ignored. from liblibra_core import *run_test.py:21: RuntimeWarning: to-Python converter for liblibra::libforcefield::Dihedral_Record already registered; second conversion method ignored. from liblibra_core import *run_test.py:21: RuntimeWarning: to-Python converter for std::vector<liblibra::libforcefield::Dihedral_Record, std::allocator<liblibra::libforcefield::Dihedral_Record> > already registered; second conversion method ignored. from liblibra_core import *run_test.py:21: RuntimeWarning: to-Python converter for boost::python::detail::container_element<std::vector<liblibra::libforcefield::Dihedral_Record, std::allocator<liblibra::libforcefield::Dihedral_Record> >, unsigned long, boost::python::detail::final_vector_derived_policies<std::vector<liblibra::libforcefield::Dihedral_Record, std::allocator<liblibra::libforcefield::Dihedral_Record> >, false> > already registered; second conversion method ignored. from liblibra_core import *run_test.py:21: RuntimeWarning: to-Python converter for liblibra::libforcefield::Fragment_Record already registered; second conversion method ignored. from liblibra_core import *run_test.py:21: RuntimeWarning: to-Python converter for liblibra::libforcefield::ForceField already registered; second conversion method ignored. from liblibra_core import *CREATE_ATOM H<liblibra_core.VECTOR object at 0x7f4b9b926af8> -0.00153561208306 -0.202551182599 0.0244838547362Number of atoms in the system = 1Atom_id = 1Atom_displ2 = 0Atom_Z = 1Atom_element = HAtom_min_ring_size = 1
size = 1tot_p = -0.16354809 0.44910935 -0.34693199 temp_tr= 0.0000000target_ekin_tr= 0.0014250668scaling_factor_tr = 0.0000000in init_velocities...P_tot = 0.0000000 0.0000000 0.0000000 cutt_T = 0.0000000Best,
misaraty
Kamal Dhungana
Sep 5, 2017, 2:04:17 PM9/5/17
to Quantum-Dynamics-Hub
Hi Misaraty,
I also get similar warning massage when I import liblibra_core. Please find the previous discussion here:
Regards,
Kamal
misa...@gmail.com
Sep 5, 2017, 11:09:54 PM9/5/17
to Quantum-Dynamics-Hub
Hi Kamal,
Thanks for your reply, it is normal depending on your post.
Regards,
Misaraty
Shudong Wang
Oct 6, 2017, 10:18:11 AM10/6/17
to Quantum-Dynamics-Hub
Dear Misaraty and Alexey,
I met the same problem as Misaraty "[root@wsd2 study1]# python tests.py
Traceback (most recent call last):
File "tests.py", line 20, in <module>
from liblibra_core import *
ImportError: /public/software/libracode/_build/src/liblibra_core.so: undefined symbol: _ZN5boost9re_detail19raise_runtime_errorERKSt13runtime_error"
from liblibra_core import *
ImportError: /public/software/libracode/_build/src/liblibra_core.so: undefined symbol: _ZN5boost9re_detail19raise_runtime_errorERKSt13runtime_error"
after installing the libra, could you give me some details to solve this?
I have set the environmental variables and restart the terminal but it is still there.
Thank you!
Shudong
Alexey Akimov
Oct 6, 2017, 11:01:05 AM10/6/17
to Quantum-Dynamics-Hub
Hi Shudong,
Could you please provide more information on what the script is doing?
Alexey
Shudong Wang
Oct 6, 2017, 9:35:05 PM10/6/17
to Quantum-Dynamics-Hub
Dear Alexey,
I did the installation same as Misaraty did, and everything seems OK instead the test.py cannot run through.
I changed the CMakeLists.txt as said in the link:https://www.acsu.buffalo.edu/~alexeyak/libra/installation.html.
sd
Shudong Wang
Oct 6, 2017, 10:42:11 PM10/6/17
to Quantum-Dynamics-Hub
Dear Alexey,
I have solved the problem through setting the boost linkage. Thank you!
Shudong
Reply all
Reply to author
Forward
0 new messages