[  3%] Creating directories for 'snsmp2_external'
[  3%] Installing Psi4-detected BLAS/LAPACK
[  3%] Creating directories for 'libxc_external'
[  4%] Creating directories for 'pybind11_external'
[  7%] Creating directories for 'pcmsolver_external'
[  7%] Creating directories for 'simint_external'
[  7%] Creating directories for 'qcengine_external'
[  8%] Creating directories for 'optking_external'
[  9%] Creating directories for 'libint2_external'
-- Install configuration: "Release"
[  9%] Built target lapack_external
[ 10%] Creating directories for 'libefp_external'
[ 11%] Creating directories for 'dkh_external'
[ 13%] Performing download step (download, verify and extract) for 'simint_external'
[ 13%] Performing download step (download, verify and extract) for 'libxc_external'
[ 15%] Performing download step (download and verify) for 'qcengine_external'
[ 15%] Performing download step (download, verify and extract) for 'snsmp2_external'
[ 17%] Performing download step (download, verify and extract) for 'pybind11_external'
[ 17%] Performing download step (download, verify and extract) for 'optking_external'
[ 17%] Performing download step (download, verify and extract) for 'libint2_external'
[ 17%] Performing download step (download, verify and extract) for 'pcmsolver_external'
-- File already exists but no hash specified (use URL_HASH):
  file='/home/suri/psi4/build/external/upstream/simint/simint_external-prefix/src/simint-v0.7.tar.bz2'
Old file will be removed and new file downloaded from URL.
-- File already exists but no hash specified (use URL_HASH):
  file='/home/suri/psi4/build/external/upstream/libxc/libxc_external-prefix/src/libxc-6.2.2.tar.gz'
Old file will be removed and new file downloaded from URL.
-- Downloading...
   dst='/home/suri/psi4/build/external/upstream/simint/simint_external-prefix/src/simint-v0.7.tar.bz2'
   timeout='none'
   inactivity timeout='none'
-- Using src='http://www.bennyp.org/research/simint/download/simint-v0.7.tar.bz2'
-- File already exists but no hash specified (use URL_HASH):
  file='/home/suri/psi4/build/external/downstream/snsmp2/snsmp2_external-prefix/src/12462c6.tar.gz'
Old file will be removed and new file downloaded from URL.
-- File already exists but no hash specified (use URL_HASH):
  file='/home/suri/psi4/build/external/upstream/optking/optking_external-prefix/src/0.2.1.tar.gz'
Old file will be removed and new file downloaded from URL.
-- Downloading...
   dst='/home/suri/psi4/build/external/upstream/optking/optking_external-prefix/src/0.2.1.tar.gz'
   timeout='none'
   inactivity timeout='none'
-- Using src='https://github.com/psi-rking/optking/archive/0.2.1.tar.gz'
-- File already exists but no hash specified (use URL_HASH):
  file='/home/suri/psi4/build/external/upstream/qcengine/qcengine_external-prefix/src/v0.29.0.tar.gz'
Old file will be removed and new file downloaded from URL.
-- Downloading...
   dst='/home/suri/psi4/build/external/upstream/qcengine/qcengine_external-prefix/src/v0.29.0.tar.gz'
   timeout='none'
   inactivity timeout='none'
-- Using src='https://github.com/MolSSI/QCEngine/archive/v0.29.0.tar.gz'
-- File already exists but no hash specified (use URL_HASH):
  file='/home/suri/psi4/build/external/upstream/pybind11/pybind11_external-prefix/src/v2.10.3.tar.gz'
Old file will be removed and new file downloaded from URL.
-- File already exists but no hash specified (use URL_HASH):
  file='/home/suri/psi4/build/external/upstream/libint2/libint2_external-prefix/src/libint-2.8.1-5-4-3-6-5-4_mm10f12ob2_0.tgz'
Old file will be removed and new file downloaded from URL.
-- Downloading...
   dst='/home/suri/psi4/build/external/upstream/pybind11/pybind11_external-prefix/src/v2.10.3.tar.gz'
   timeout='none'
   inactivity timeout='none'
-- Using src='https://github.com/pybind/pybind11/archive/v2.10.3.tar.gz'
-- File already exists but no hash specified (use URL_HASH):
  file='/home/suri/psi4/build/external/upstream/pcmsolver/pcmsolver_external-prefix/src/v123_plus_ming.tar.gz'
Old file will be removed and new file downloaded from URL.
-- Downloading...
   dst='/home/suri/psi4/build/external/downstream/snsmp2/snsmp2_external-prefix/src/12462c6.tar.gz'
   timeout='none'
   inactivity timeout='none'
-- Using src='https://github.com/DEShawResearch/sns-mp2/archive/12462c6.tar.gz'
-- Downloading...
   dst='/home/suri/psi4/build/external/upstream/libxc/libxc_external-prefix/src/libxc-6.2.2.tar.gz'
   timeout='none'
   inactivity timeout='none'
-- Using src='https://gitlab.com/libxc/libxc/-/archive/6.2.2/libxc-6.2.2.tar.gz'
-- Downloading...
   dst='/home/suri/psi4/build/external/upstream/pcmsolver/pcmsolver_external-prefix/src/v123_plus_ming.tar.gz'
   timeout='none'
   inactivity timeout='none'
-- Using src='https://github.com/loriab/pcmsolver/archive/v123_plus_ming.tar.gz'
[ 19%] Performing download step (download, verify and extract) for 'libefp_external'
[ 19%] Performing download step (download, verify and extract) for 'dkh_external'
-- File already exists but no hash specified (use URL_HASH):
  file='/home/suri/psi4/build/external/upstream/dkh/dkh_external-prefix/src/3ba0128.tar.gz'
Old file will be removed and new file downloaded from URL.
-- Downloading...
   dst='/home/suri/psi4/build/external/upstream/dkh/dkh_external-prefix/src/3ba0128.tar.gz'
   timeout='none'
   inactivity timeout='none'
-- Using src='https://github.com/psi4/dkh/archive/3ba0128.tar.gz'
-- File already exists but no hash specified (use URL_HASH):
  file='/home/suri/psi4/build/external/upstream/libefp/libefp_external-prefix/src/15cd7ce.tar.gz'
Old file will be removed and new file downloaded from URL.
-- Downloading...
   dst='/home/suri/psi4/build/external/upstream/libefp/libefp_external-prefix/src/15cd7ce.tar.gz'
   timeout='none'
   inactivity timeout='none'
-- Using src='https://github.com/ilyak/libefp/archive/15cd7ce.tar.gz'
-- Downloading...
   dst='/home/suri/psi4/build/external/upstream/libint2/libint2_external-prefix/src/libint-2.8.1-5-4-3-6-5-4_mm10f12ob2_0.tgz'
   timeout='none'
   inactivity timeout='none'
-- Using src='https://github.com/loriab/libint/releases/download/v0.1/libint-2.8.1-5-4-3-6-5-4_mm10f12ob2_0.tgz'
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-- Downloading... done
-- extracting...
     src='/home/suri/psi4/build/external/upstream/dkh/dkh_external-prefix/src/3ba0128.tar.gz'
     dst='/home/suri/psi4/build/external/upstream/dkh/dkh_external-prefix/src/dkh_external'
-- extracting... [tar xfz]
-- extracting... [analysis]
-- extracting... [rename]
-- extracting... [clean up]
-- extracting... done
-- [download 23% complete]
[ 19%] No update step for 'dkh_external'
[ 20%] No patch step for 'dkh_external'
-- [download 24% complete]
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[ 21%] Performing configure step for 'dkh_external'
loading initial cache file /home/suri/psi4/build/external/upstream/dkh/dkh_external-prefix/tmp/dkh_external-cache-Release.cmake
-- Setting option CMAKE_BUILD_TYPE: Release
-- Setting option BUILD_SHARED_LIBS: OFF
-- Setting option BUILD_FPIC: ON
-- Setting option ENABLE_OPENMP: ON
-- Setting option ENABLE_GENERIC: OFF
-- Setting option ENABLE_XHOST: ON
-- [download 27% complete]
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-- Performing Test CMAKE_C_FLAGS [-xHost] - Failed
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-- Performing Test CMAKE_C_FLAGS [-march=native] - Success, Appending
-- Performing Test CMAKE_Fortran_FLAGS [-xHost] - Failed
-- [download 33% complete]
-- Performing Test CMAKE_Fortran_FLAGS [-march=native] - Success, Appending
-- Setting option dkh_INSTALL_CMAKEDIR: share/cmake/dkh
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-- Found OpenMP_C: -fopenmp (found version "4.5") 
-- Found OpenMP_Fortran: -fopenmp (found version "4.5") 
-- Detecting MathOpenMP -- ?OpenMP=ON, ?MKL= MKL, LANG=C;CXX;Fortran, C/CXX/Fortran=GNU//GNU
-- Found OpenMP_C: -fopenmp (found version "4.5") 
-- Found OpenMP_Fortran: -fopenmp (found version "4.5") 
-- Could NOT find OpenMP (missing: OpenMP_CXX_FOUND CXX) (found version "4.5")
-- CMake FindOpenMP failed! Trying a custom OpenMP configuration...
-- TargetLAPACKConfig detected.
-- Configuring done
-- Generating done
-- Build files have been written to: /home/suri/psi4/build/external/upstream/dkh/dkh_external-prefix/src/dkh_external-build
[ 22%] Performing build step for 'dkh_external'
Scanning dependencies of target dkh
[100%] Built target dkh
-- [download 0% complete]
[ 23%] Performing install step for 'dkh_external'
-- [download 44% complete]
[100%] Built target dkh
-- [download 45% complete]
-- [download 46% complete]
Install the project...
-- Install configuration: "Release"
-- Up-to-date: /home/suri/psi4/build/stage/include/DKH/DKH_MANGLE.h
-- Up-to-date: /home/suri/psi4/build/stage/lib/libdkh.a
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/dkh/dkhConfig.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/dkh/dkhConfigVersion.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/dkh/FindTargetLAPACK.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/dkh/dkhTargets.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/dkh/dkhTargets-release.cmake
[ 23%] Completed 'dkh_external'
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[ 23%] Built target dkh_external
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-- Downloading... done
-- extracting...
     src='/home/suri/psi4/build/external/upstream/optking/optking_external-prefix/src/0.2.1.tar.gz'
     dst='/home/suri/psi4/build/external/upstream/optking/optking_external-prefix/src/optking_external'
-- extracting... [tar xfz]
-- extracting... [analysis]
-- extracting... [rename]
-- extracting... [clean up]
-- extracting... done
[ 24%] No update step for 'optking_external'
-- [download 90% complete]
[ 25%] No patch step for 'optking_external'
[ 26%] No configure step for 'optking_external'
[ 27%] Performing build step for 'optking_external'
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running build
running build_py
creating build
creating build/lib
creating build/lib/optking
copying optking/optparams.py -> build/lib/optking
copying optking/displace.py -> build/lib/optking
copying optking/opt_helper.py -> build/lib/optking
copying optking/bend.py -> build/lib/optking
copying optking/optimize.py -> build/lib/optking
copying optking/frag.py -> build/lib/optking
copying optking/stepAlgorithms.py -> build/lib/optking
copying optking/dimerfrag.py -> build/lib/optking
copying optking/cart.py -> build/lib/optking
copying optking/loggingconfig.py -> build/lib/optking
copying optking/lj_functions.py -> build/lib/optking
copying optking/simple.py -> build/lib/optking
copying optking/compute_wrappers.py -> build/lib/optking
copying optking/orient.py -> build/lib/optking
copying optking/intcosMisc.py -> build/lib/optking
copying optking/linesearch.py -> build/lib/optking
-- [download 96% complete]
copying optking/testB.py -> build/lib/optking
copying optking/exceptions.py -> build/lib/optking
copying optking/v3d.py -> build/lib/optking
copying optking/addIntcos.py -> build/lib/optking
copying optking/molsys.py -> build/lib/optking
copying optking/IRCfollowing.py -> build/lib/optking
copying optking/IRCdata.py -> build/lib/optking
copying optking/misc.py -> build/lib/optking
copying optking/printTools.py -> build/lib/optking
copying optking/optwrapper.py -> build/lib/optking
copying optking/__init__.py -> build/lib/optking
copying optking/stre.py -> build/lib/optking
copying optking/tors.py -> build/lib/optking
copying optking/hessian.py -> build/lib/optking
copying optking/caseInsensitiveDict.py -> build/lib/optking
copying optking/_version.py -> build/lib/optking
copying optking/oofp.py -> build/lib/optking
copying optking/history.py -> build/lib/optking
copying optking/convcheck.py -> build/lib/optking
copying optking/linearAlgebra.py -> build/lib/optking
creating build/lib/optking/tests
copying optking/tests/test_g_convergence.py -> build/lib/optking/tests
copying optking/tests/test_opthelper.py -> build/lib/optking/tests
copying optking/tests/test_deriv_transforms.py -> build/lib/optking/tests
copying optking/tests/test_dimers_h2o.py -> build/lib/optking/tests
copying optking/tests/test_jsoninput.py -> build/lib/optking/tests
copying optking/tests/test_hf_g_keywords.py -> build/lib/optking/tests
copying optking/tests/test_dimers_orient.py -> build/lib/optking/tests
copying optking/tests/test_hbond.py -> build/lib/optking/tests
copying optking/tests/test_oofp.py -> build/lib/optking/tests
copying optking/tests/test_methimazole.py -> build/lib/optking/tests
copying optking/tests/test_2_hessians.py -> build/lib/optking/tests
copying optking/tests/test_openshell.py -> build/lib/optking/tests
copying optking/tests/test_dcft_g_opt.py -> build/lib/optking/tests
copying optking/tests/test_nearlinear_dft_opt.py -> build/lib/optking/tests
copying optking/tests/test_linesearch.py -> build/lib/optking/tests
copying optking/tests/test_trimers_h2o.py -> build/lib/optking/tests
copying optking/tests/test_sf4_quasilinear.py -> build/lib/optking/tests
copying optking/tests/test_scsmp2_opt.py -> build/lib/optking/tests
copying optking/tests/test_ccsd_g_opt.py -> build/lib/optking/tests
copying optking/tests/test_opt5-ch2.py -> build/lib/optking/tests
copying optking/tests/test_ranged_internals.py -> build/lib/optking/tests
copying optking/tests/test_dimers_benzene_pes.py -> build/lib/optking/tests
copying optking/tests/test_frozen_internals.py -> build/lib/optking/tests
copying optking/tests/test_mp2_g_opt.py -> build/lib/optking/tests
copying optking/tests/psi4_helper.py -> build/lib/optking/tests
copying optking/tests/test_dimers_mt_tyr_Rscan.py -> build/lib/optking/tests
copying optking/tests/test_step_types.py -> build/lib/optking/tests
copying optking/tests/test_hooh_ext_force.py -> build/lib/optking/tests
copying optking/tests/test_dimers_Bmat.py -> build/lib/optking/tests
copying optking/tests/test_irc_hooh.py -> build/lib/optking/tests
copying optking/tests/__init__.py -> build/lib/optking/tests
copying optking/tests/test_ts_opt.py -> build/lib/optking/tests
copying optking/tests/conftest.py -> build/lib/optking/tests
copying optking/tests/test_optimization_input.py -> build/lib/optking/tests
copying optking/tests/test_dimers_ne2.py -> build/lib/optking/tests
copying optking/tests/test_opt2_allene.py -> build/lib/optking/tests
copying optking/tests/test_hf_g_opt.py -> build/lib/optking/tests
copying optking/tests/test_frozen_cart_and_backstep.py -> build/lib/optking/tests
copying optking/tests/test_dimers_mt_tyr_frozen_orientation.py -> build/lib/optking/tests
copying optking/tests/test_lj.py -> build/lib/optking/tests
creating build/lib/optking/tests/psi4inputs
copying optking/tests/psi4inputs/__init__.py -> build/lib/optking/tests/psi4inputs
creating build/lib/optking/tests/utils
copying optking/tests/utils/utils.py -> build/lib/optking/tests/utils
copying optking/tests/utils/__init__.py -> build/lib/optking/tests/utils
creating build/lib/optking/tests/psi4inputs/psiAPIversions
copying optking/tests/psi4inputs/psiAPIversions/froz-dimer-h2o.py -> build/lib/optking/tests/psi4inputs/psiAPIversions
copying optking/tests/psi4inputs/psiAPIversions/dimer-ne2.py -> build/lib/optking/tests/psi4inputs/psiAPIversions
copying optking/tests/psi4inputs/psiAPIversions/dimer-h2o-c6h6.py -> build/lib/optking/tests/psi4inputs/psiAPIversions
copying optking/tests/psi4inputs/psiAPIversions/__init__.py -> build/lib/optking/tests/psi4inputs/psiAPIversions
copying optking/tests/psi4inputs/psiAPIversions/dimer-h2o.py -> build/lib/optking/tests/psi4inputs/psiAPIversions
running egg_info
-- [download 97% complete]
creating OptKing.egg-info
writing OptKing.egg-info/PKG-INFO
writing dependency_links to OptKing.egg-info/dependency_links.txt
writing requirements to OptKing.egg-info/requires.txt
writing top-level names to OptKing.egg-info/top_level.txt
writing manifest file 'OptKing.egg-info/SOURCES.txt'
-- [download 98% complete]
reading manifest file 'OptKing.egg-info/SOURCES.txt'
reading manifest template 'MANIFEST.in'
-- [download 99% complete]
adding license file 'LICENSE'
writing manifest file 'OptKing.egg-info/SOURCES.txt'
copying optking/tests/json_betapinene.json -> build/lib/optking/tests
copying optking/tests/json_h2o.json -> build/lib/optking/tests
copying optking/tests/json_hooh_frozen.json -> build/lib/optking/tests
UPDATING build/lib/optking/_version.py
set build/lib/optking/_version.py to '0.2.1'
-- [download 100% complete]
-- Downloading... done
[ 28%] Performing install step for 'optking_external'
-- extracting...
     src='/home/suri/psi4/build/external/upstream/pybind11/pybind11_external-prefix/src/v2.10.3.tar.gz'
     dst='/home/suri/psi4/build/external/upstream/pybind11/pybind11_external-prefix/src/pybind11_external'
-- extracting... [tar xfz]
-- extracting... [analysis]
-- extracting... [rename]
-- extracting... [clean up]
-- extracting... done
[ 29%] No update step for 'pybind11_external'
[ 30%] No patch step for 'pybind11_external'
[ 30%] Performing configure step for 'pybind11_external'
loading initial cache file /home/suri/psi4/build/external/upstream/pybind11/pybind11_external-prefix/tmp/pybind11_external-cache-Release.cmake
running install
-- pybind11 v2.10.3 
-- CMake 3.22.1
running build
running build_py
running egg_info
writing OptKing.egg-info/PKG-INFO
writing dependency_links to OptKing.egg-info/dependency_links.txt
writing requirements to OptKing.egg-info/requires.txt
writing top-level names to OptKing.egg-info/top_level.txt
reading manifest file 'OptKing.egg-info/SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'OptKing.egg-info/SOURCES.txt'
UPDATING build/lib/optking/_version.py
set build/lib/optking/_version.py to '0.2.1'
running install_lib
copying build/lib/optking/_version.py -> /home/suri/psi4/build/stage/lib/optking
byte-compiling /home/suri/psi4/build/stage/lib/optking/_version.py to _version.cpython-39.pyc
running install_egg_info
removing '/home/suri/psi4/build/stage/lib/OptKing-0.2.1-py3.9.egg-info' (and everything under it)
Copying OptKing.egg-info to /home/suri/psi4/build/stage/lib/OptKing-0.2.1-py3.9.egg-info
running install_scripts
writing list of installed files to 'record.txt'
-- PYTHON 3.9.18
-- pybind11::lto enabled
-- pybind11::thin_lto enabled
-- Configuring done
-- Generating done
-- Build files have been written to: /home/suri/psi4/build/external/upstream/pybind11/pybind11_external-prefix/src/pybind11_external-build
[ 31%] Performing build step for 'pybind11_external'
[ 32%] Completed 'optking_external'
[ 33%] Performing install step for 'pybind11_external'
[ 33%] Built target optking_external
Install the project...
-- Install configuration: "Release"
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/complex.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/pybind11.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/common.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/numpy.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/eigen.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/eval.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/stl
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/stl/filesystem.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/iostream.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/gil.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/functional.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/chrono.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/embed.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/pytypes.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/cast.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/stl.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/eigen
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/eigen/matrix.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/eigen/tensor.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/attr.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/buffer_info.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/options.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/stl_bind.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/operators.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/detail
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/detail/class.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/detail/typeid.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/detail/common.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/detail/type_caster_base.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/detail/init.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/detail/internals.h
-- Up-to-date: /home/suri/psi4/build/stage/include/pybind11/detail/descr.h
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/pybind11/pybind11Config.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/pybind11/pybind11ConfigVersion.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/pybind11/FindPythonLibsNew.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/pybind11/pybind11Common.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/pybind11/pybind11Tools.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/pybind11/pybind11NewTools.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/pybind11/pybind11Targets.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/pkgconfig/pybind11.pc
[ 34%] Completed 'pybind11_external'
[ 34%] Built target pybind11_external
[ 35%] Creating directories for 'gau2grid_external'
[ 36%] Creating directories for 'gdma_external'
[ 38%] Performing download step (download, verify and extract) for 'gau2grid_external'
[ 38%] Performing download step (download, verify and extract) for 'gdma_external'
-- File already exists but no hash specified (use URL_HASH):
  file='/home/suri/psi4/build/external/upstream/gau2grid/gau2grid_external-prefix/src/v2.0.7.tar.gz'
Old file will be removed and new file downloaded from URL.
-- Downloading...
   dst='/home/suri/psi4/build/external/upstream/gau2grid/gau2grid_external-prefix/src/v2.0.7.tar.gz'
   timeout='none'
   inactivity timeout='none'
-- Using src='https://github.com/dgasmith/gau2grid/archive/v2.0.7.tar.gz'
-- File already exists but no hash specified (use URL_HASH):
  file='/home/suri/psi4/build/external/upstream/gdma/gdma_external-prefix/src/v2.3.3.tar.gz'
Old file will be removed and new file downloaded from URL.
-- Downloading...
   dst='/home/suri/psi4/build/external/upstream/gdma/gdma_external-prefix/src/v2.3.3.tar.gz'
   timeout='none'
   inactivity timeout='none'
-- Using src='https://github.com/psi4/gdma/archive/v2.3.3.tar.gz'
-- Downloading... done
[ 39%] No update step for 'qcengine_external'
[ 40%] No patch step for 'qcengine_external'
[ 40%] No configure step for 'qcengine_external'
[ 41%] No build step for 'qcengine_external'
[ 42%] Performing install step for 'qcengine_external'
-- [download 0% complete]
Processing /home/suri/psi4/build/external/upstream/qcengine/qcengine_external-prefix/src/v0.29.0.tar.gz
  Installing build dependencies: started
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  Installing build dependencies: finished with status 'done'
  Getting requirements to build wheel: started
  Getting requirements to build wheel: finished with status 'done'
  Preparing metadata (pyproject.toml): started
  Preparing metadata (pyproject.toml): finished with status 'done'
Building wheels for collected packages: qcengine
  Building wheel for qcengine (pyproject.toml): started
  Building wheel for qcengine (pyproject.toml): finished with status 'done'
  Created wheel for qcengine: filename=qcengine-0.29.0-py3-none-any.whl size=334982 sha256=a0834dcae2b020dc6b49557b2270369697730306576b97c4bd1724541733ff3c
  Stored in directory: /tmp/pip-ephem-wheel-cache-eh5gccvu/wheels/ba/fe/cd/8437f2ecbd4a759a1c3f6a6e9fe46c0a218634740631e9c373
Successfully built qcengine
Installing collected packages: qcengine
Successfully installed qcengine-0.29.0
[ 43%] Moves qcengine entry-point into place alongside bin/psi4 for `qcengine info`
[ 44%] Completed 'qcengine_external'
[ 44%] Built target qcengine_external
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-- Downloading... done
-- extracting...
     src='/home/suri/psi4/build/external/upstream/gau2grid/gau2grid_external-prefix/src/v2.0.7.tar.gz'
     dst='/home/suri/psi4/build/external/upstream/gau2grid/gau2grid_external-prefix/src/gau2grid_external'
-- extracting... [tar xfz]
-- extracting... [analysis]
-- extracting... [rename]
-- extracting... [clean up]
-- extracting... done
[ 45%] No update step for 'gau2grid_external'
[ 45%] No patch step for 'gau2grid_external'
[ 46%] Performing configure step for 'gau2grid_external'
loading initial cache file /home/suri/psi4/build/external/upstream/gau2grid/gau2grid_external-prefix/tmp/gau2grid_external-cache-Release.cmake
-- Setting option MAX_AM: 5
-- Setting option CMAKE_BUILD_TYPE: Release
-- Setting option ENABLE_XHOST: ON
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-- Performing Test CMAKE_C_FLAGS [-march=native] - Success, Appending
-- Setting option BUILD_FPIC: ON
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-- Setting option ENABLE_GENERIC: OFF
-- Setting option DISABLE_PRAGMA: OFF
-- Setting option CMAKE_INSTALL_LIBDIR: lib
-- Setting option PYMOD_INSTALL_LIBDIR: /
-- Setting option INSTALL_PYMOD: OFF
-- Setting option NATIVE_PYTHON_INSTALL: OFF
-- Setting option NATIVE_PYTHON_INSTALL_WITH_LIB: OFF
-- gau2grid install: /home/suri/psi4/build/stage
-- Found Python 3.9: /home/suri/intel/oneapi/intelpython/bin/python3.9 (found version 3.9.18)
-- Configuring done
-- Generating done
-- Build files have been written to: /home/suri/psi4/build/external/upstream/gau2grid/gau2grid_external-prefix/src/gau2grid_external-build
[ 47%] Performing build step for 'gau2grid_external'
Consolidate compiler generated dependencies of target gg
[100%] Built target gg
[ 48%] Performing install step for 'gau2grid_external'
[100%] Built target gg
Install the project...
-- Install configuration: "Release"
-- Up-to-date: /home/suri/psi4/build/stage/include/gau2grid/gau2grid.h
-- Up-to-date: /home/suri/psi4/build/stage/include/gau2grid/gau2grid_pragma.h
-- Up-to-date: /home/suri/psi4/build/stage/lib/libgg.a
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/gau2grid/gau2gridConfig.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/gau2grid/gau2gridConfigVersion.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/gau2grid/gau2gridTargets.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/gau2grid/gau2gridTargets-release.cmake
[ 49%] Completed 'gau2grid_external'
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[ 49%] Built target gau2grid_external
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-- Downloading... done
-- extracting...
     src='/home/suri/psi4/build/external/upstream/libefp/libefp_external-prefix/src/15cd7ce.tar.gz'
     dst='/home/suri/psi4/build/external/upstream/libefp/libefp_external-prefix/src/libefp_external'
-- extracting... [tar xfz]
-- [download 31% complete]
-- extracting... [analysis]
-- extracting... [rename]
-- extracting... [clean up]
-- extracting... done
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[ 50%] No update step for 'libefp_external'
[ 51%] No patch step for 'libefp_external'
[ 52%] Performing configure step for 'libefp_external'
loading initial cache file /home/suri/psi4/build/external/upstream/libefp/libefp_external-prefix/tmp/libefp_external-cache-Release.cmake
-- Setting option CMAKE_BUILD_TYPE: Release
-- Setting option BUILD_SHARED_LIBS: OFF
-- Setting option BUILD_FPIC: ON
-- Setting option ENABLE_OPENMP: OFF
-- Setting option ENABLE_GENERIC: OFF
-- Setting option ENABLE_XHOST: ON
-- Performing Test CMAKE_C_FLAGS [-xHost] - Failed
-- Performing Test CMAKE_C_FLAGS [-march=native] - Success, Appending
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-- Setting option FRAGLIB_DEEP: OFF
-- Setting option INSTALL_DEVEL_HEADERS: ON
-- TargetLAPACKConfig detected.
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-- Configuring done
-- Generating done
-- Build files have been written to: /home/suri/psi4/build/external/upstream/libefp/libefp_external-prefix/src/libefp_external-build
[ 53%] Performing build step for 'libefp_external'
Consolidate compiler generated dependencies of target efp
[100%] Built target efp
[ 53%] Performing install step for 'libefp_external'
[100%] Built target efp
Install the project...
-- Install configuration: "Release"
-- Up-to-date: /home/suri/psi4/build/stage/share/libefp/makefp.inp
-- Up-to-date: /home/suri/psi4/build/stage/share/libefp/fraglib
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/pyrazine.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/uracil-gp.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/pentane.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/dmso.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/acetone.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/phenol.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/ch3oh.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/pyridine.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/pentacene.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/pyridone.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/ammonia.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/c2h5oh.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/aceticacid-hb.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/formamide.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/methanol.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/adenine-stack.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/benzene.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/formicacid.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/methane.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/ethyne.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/ethene.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/water.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/cl2.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/aceticacid-gp.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/dcm.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/adenine-wc.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/c6h6.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/hydrogencyanide.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/ccl4.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/thymine-stack.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/2aminopyridine.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/methylamine.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/indole.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/nh3.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/cyclopentane.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/ch4.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/uracil.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/thymine-wc.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/h2o.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/h2.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/nmethylacetamide.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/acetamide-gp.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/acetamide-hb.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/tetracene.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/neopentane.efp
-- Installing: /home/suri/psi4/build/stage/share/libefp/fraglib/ethane.efp
-- Up-to-date: /home/suri/psi4/build/stage/include/efp.h
-- Up-to-date: /home/suri/psi4/build/stage/include/libefp
-- Up-to-date: /home/suri/psi4/build/stage/include/libefp/efp.h
-- Up-to-date: /home/suri/psi4/build/stage/include/libefp/intshift.h
-- Up-to-date: /home/suri/psi4/build/stage/include/libefp/elec.h
-- Up-to-date: /home/suri/psi4/build/stage/include/libefp/balance.h
-- Up-to-date: /home/suri/psi4/build/stage/include/libefp/clapack.h
-- Up-to-date: /home/suri/psi4/build/stage/include/libefp/util.h
-- Up-to-date: /home/suri/psi4/build/stage/include/libefp/log.h
-- Up-to-date: /home/suri/psi4/build/stage/include/libefp/swf.h
-- Up-to-date: /home/suri/psi4/build/stage/include/libefp/private.h
-- Up-to-date: /home/suri/psi4/build/stage/include/libefp/terms.h
-- Up-to-date: /home/suri/psi4/build/stage/include/libefp/mathutil.h
-- Up-to-date: /home/suri/psi4/build/stage/include/libefp/stream.h
-- Up-to-date: /home/suri/psi4/build/stage/include/libefp/int.h
-- Up-to-date: /home/suri/psi4/build/stage/lib/libefp.a
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/libefp/libefpConfig.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/libefp/libefpConfigVersion.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/libefp/FindTargetLAPACK.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/libefp/libefpTargets.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/libefp/libefpTargets-release.cmake
[ 54%] Completed 'libefp_external'
[ 54%] Built target libefp_external
[ 55%] Creating directories for 'pylibefp_external'
[ 56%] Performing download step (download, verify and extract) for 'pylibefp_external'
-- File already exists but no hash specified (use URL_HASH):
  file='/home/suri/psi4/build/external/upstream/pylibefp/pylibefp_external-prefix/src/b3da48f.tar.gz'
Old file will be removed and new file downloaded from URL.
-- Downloading...
   dst='/home/suri/psi4/build/external/upstream/pylibefp/pylibefp_external-prefix/src/b3da48f.tar.gz'
   timeout='none'
   inactivity timeout='none'
-- Using src='https://github.com/loriab/pylibefp/archive/b3da48f.tar.gz'
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-- extracting...
     src='/home/suri/psi4/build/external/upstream/simint/simint_external-prefix/src/simint-v0.7.tar.bz2'
     dst='/home/suri/psi4/build/external/upstream/simint/simint_external-prefix/src/simint_external'
-- extracting... [tar xfz]
-- Downloading... done
-- extracting...
     src='/home/suri/psi4/build/external/upstream/gdma/gdma_external-prefix/src/v2.3.3.tar.gz'
     dst='/home/suri/psi4/build/external/upstream/gdma/gdma_external-prefix/src/gdma_external'
-- extracting... [tar xfz]
-- extracting... [analysis]
-- extracting... [rename]
-- extracting... [clean up]
-- extracting... done
[ 57%] No update step for 'gdma_external'
[ 57%] No patch step for 'gdma_external'
[ 58%] Performing configure step for 'gdma_external'
loading initial cache file /home/suri/psi4/build/external/upstream/gdma/gdma_external-prefix/tmp/gdma_external-cache-Release.cmake
-- Setting option CMAKE_BUILD_TYPE: Release
-- Setting option BUILD_SHARED_LIBS: OFF
-- Setting option BUILD_FPIC: ON
-- Setting option ENABLE_OPENMP: ON
-- Setting option CMAKE_INSTALL_LIBDIR: lib
-- Setting option PYMOD_INSTALL_LIBDIR: /
-- Setting option ENABLE_GENERIC: OFF
-- Setting option ENABLE_XHOST: ON
-- Performing Test CMAKE_C_FLAGS [-xHost] - Failed
-- Performing Test CMAKE_C_FLAGS [-march=native] - Success, Appending
-- Performing Test CMAKE_Fortran_FLAGS [-xHost] - Failed
-- Performing Test CMAKE_Fortran_FLAGS [-march=native] - Success, Appending
-- Setting option ENABLE_GENERIC: OFF
-- Setting option gdma_INSTALL_CMAKEDIR: share/cmake/gdma
-- Setting option gdma_ENABLE_PYTHON: ON
-- Found Python: /home/suri/intel/oneapi/intelpython/bin/python3.9 (found version "3.9.18") found components: Interpreter 
-- Setting option CMAKE_BUILD_TYPE: Release
-- Setting option PYMOD_INSTALL_LIBDIR: /
-- Setting option gdma_INSTALL_CMAKEDIR: share/cmake/gdma
-- Found Python: /home/suri/intel/oneapi/intelpython/bin/python3.9 (found suitable version "3.9.18", minimum required is "3.7") found components: Interpreter Development Development.Module Development.Embed 
-- Found Python 3.9: /home/suri/intel/oneapi/intelpython/bin/python3.9 (found version 3.9.18)
-- Found pybind11: /home/suri/psi4/build/stage/include (found version "2.10.3")
-- pygdma rpath: $ORIGIN;$ORIGIN/
-- Configuring done
-- Generating done
-- Build files have been written to: /home/suri/psi4/build/external/upstream/gdma/gdma_external-prefix/src/gdma_external-build
[ 59%] Performing build step for 'gdma_external'
Scanning dependencies of target gdma
[ 66%] Built target gdma
Scanning dependencies of target gdmaexe
Consolidate compiler generated dependencies of target pygdma
[ 83%] Built target gdmaexe
[100%] Built target pygdma
[ 60%] Performing install step for 'gdma_external'
[ 66%] Built target gdma
[ 83%] Built target gdmaexe
[100%] Built target pygdma
Install the project...
-- Install configuration: "Release"
-- Up-to-date: /home/suri/psi4/build/stage/lib/gdma.cpython-39-x86_64-linux-gnu.so
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/gdma/gdmaTargets-Python.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/gdma/gdmaTargets-Python-release.cmake
-- Up-to-date: /home/suri/psi4/build/stage/include/GDMA/GDMA_MANGLE.h
-- Up-to-date: /home/suri/psi4/build/stage/lib/libgdma.a
-- Up-to-date: /home/suri/psi4/build/stage/bin/gdma
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/gdma/gdmaConfig.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/gdma/gdmaConfigVersion.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/gdma/gdmaTargets-lib.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/gdma/gdmaTargets-lib-release.cmake
[ 61%] Completed 'gdma_external'
[ 61%] Built target gdma_external
-- extracting... [analysis]
-- extracting... [rename]
-- extracting... [clean up]
-- extracting... done
[ 62%] No update step for 'simint_external'
[ 63%] No patch step for 'simint_external'
[ 64%] Performing configure step for 'simint_external'
loading initial cache file /home/suri/psi4/build/external/upstream/simint/simint_external-prefix/tmp/simint_external-cache-Release.cmake
--            Maximum AM: 5
--    Maximum Derivative: 0
--         CMAKE_C_FLAGS:  -march=native
--       CMAKE_CXX_FLAGS:  -march=native
--     SIMINT_C_INCLUDES: /home/suri/psi4/build/external/upstream/simint/simint_external-prefix/src/simint_external;/home/suri/psi4/build/external/upstream/simint/simint_external-prefix/src/simint_external-build/stage
--        SIMINT_C_FLAGS: -std=c99;-Wall;-Wextra;-pedantic;-Wno-unused-parameter;-Wno-unused-variable;-fopenmp;-mavx
--     SIMINT_LINK_FLAGS: -fopenmp
-- Configuring done
-- Generating done
-- Build files have been written to: /home/suri/psi4/build/external/upstream/simint/simint_external-prefix/src/simint_external-build
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-- Downloading... done
-- extracting...
     src='/home/suri/psi4/build/external/upstream/pylibefp/pylibefp_external-prefix/src/b3da48f.tar.gz'
     dst='/home/suri/psi4/build/external/upstream/pylibefp/pylibefp_external-prefix/src/pylibefp_external'
-- extracting... [tar xfz]
-- extracting... [analysis]
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[ 10%] Building C object simint/CMakeFiles/simint.dir/ostei/gen/vrr_K_d_s_g_s.c.o
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loading initial cache file /home/suri/psi4/build/external/upstream/pylibefp/pylibefp_external-prefix/tmp/pylibefp_external-cache-Release.cmake
-- Setting option ENABLE_XHOST: ON
-- Performing Test CMAKE_C_FLAGS [-xHost] - Failed
-- Performing Test CMAKE_C_FLAGS [-march=native] - Success, Appending
-- Performing Test CMAKE_CXX_FLAGS [-xHost] - Failed
-- Performing Test CMAKE_CXX_FLAGS [-march=native] - Success, Appending
-- Setting option CMAKE_BUILD_TYPE: Release
-- Setting option CMAKE_INSTALL_LIBDIR: lib
-- Setting option PYMOD_INSTALL_LIBDIR: /
-- Setting option ENABLE_GENERIC: OFF
-- Setting option pylibefp_CXX_STANDARD: 11
-- Setting option PYLIBEFP_CMAKECONFIG_INSTALL_DIR: share/cmake/pylibefp
-- Setting option LIBEFP_CMAKECONFIG_INSTALL_DIR: share/cmake/libefp
-- pylibefp install: /home/suri/psi4/build/stage
-- Found Python 3.9: /home/suri/intel/oneapi/intelpython/bin/python3.9 (found version 3.9.18)
-- PylibEFP staging: /home/suri/psi4/build/external/upstream/pylibefp/pylibefp_external-prefix/src/pylibefp_external-build/stage
-- TargetLAPACKConfig detected.
-- Found libefp: /home/suri/psi4/build/stage/lib/libefp.a (found version 1.5.0)
-- Found pybind11: /home/suri/psi4/build/stage/include (found version 2.10.3)
-- No theme, no docs (try: conda install sphinx-psi-theme cloud_sptheme sphinx-automodapi graphviz python-graphviz -c conda-forge -c psi4)
-- Configuring done
-- Generating done
-- Build files have been written to: /home/suri/psi4/build/external/upstream/pylibefp/pylibefp_external-prefix/src/pylibefp_external-build
[ 11%] Building C object simint/CMakeFiles/simint.dir/ostei/gen/vrr_K_f_s_g_s.c.o
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-- Downloading... done
-- extracting...
     src='/home/suri/psi4/build/external/downstream/snsmp2/snsmp2_external-prefix/src/12462c6.tar.gz'
     dst='/home/suri/psi4/build/external/downstream/snsmp2/snsmp2_external-prefix/src/snsmp2_external'
-- extracting... [tar xfz]
-- extracting... [analysis]
-- extracting... [rename]
-- extracting... [clean up]
-- extracting... done
[ 69%] No update step for 'snsmp2_external'
[ 70%] No patch step for 'snsmp2_external'
[ 71%] No configure step for 'snsmp2_external'
[ 72%] Performing build step for 'snsmp2_external'
[ 95%] Building C object simint/CMakeFiles/simint.dir/ostei/gen/ostei_h_d_s_s.c.o
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[pbr] Generating ChangeLog
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[ 98%] Building C object simint/CMakeFiles/simint.dir/simint_eri.c.o
running build
running build_py
creating build
creating build/lib
creating build/lib/snsmp2
copying snsmp2/wavefunctioncache.py -> build/lib/snsmp2
copying snsmp2/desbasis.py -> build/lib/snsmp2
copying snsmp2/eshlovlp.py -> build/lib/snsmp2
copying snsmp2/snsmp2.py -> build/lib/snsmp2
copying snsmp2/model.py -> build/lib/snsmp2
copying snsmp2/optstash.py -> build/lib/snsmp2
copying snsmp2/__init__.py -> build/lib/snsmp2
copying snsmp2/frozencore.py -> build/lib/snsmp2
copying snsmp2/resources.py -> build/lib/snsmp2
copying snsmp2/contextdecorator.py -> build/lib/snsmp2
copying snsmp2/format_output.py -> build/lib/snsmp2
running egg_info
creating snsmp2.egg-info
writing pbr to snsmp2.egg-info/pbr.json
writing snsmp2.egg-info/PKG-INFO
writing dependency_links to snsmp2.egg-info/dependency_links.txt
writing top-level names to snsmp2.egg-info/top_level.txt
[pbr] Processing SOURCES.txt
writing manifest file 'snsmp2.egg-info/SOURCES.txt'
[pbr] In git context, generating filelist from git
adding license file 'LICENCE.txt'
writing manifest file 'snsmp2.egg-info/SOURCES.txt'
copying snsmp2/desbasis.json -> build/lib/snsmp2
copying snsmp2/weights.npz -> build/lib/snsmp2
[ 98%] Building C object simint/CMakeFiles/simint.dir/ostei/ostei_init.c.o
[ 73%] Performing install step for 'snsmp2_external'
[pbr] Generating ChangeLog
[ 98%] Building C object simint/CMakeFiles/simint.dir/ostei/ostei_deriv1_init.c.o
running install
[pbr] Writing ChangeLog
[pbr] Generating ChangeLog
[ 99%] Building C object simint/CMakeFiles/simint.dir/ostei/ostei_general_vrr.c.o
[ 99%] Building C object simint/CMakeFiles/simint.dir/ostei/ostei_general_hrr.c.o
[pbr] ChangeLog complete (0.2s)
[pbr] Generating AUTHORS
[ 99%] Building C object simint/CMakeFiles/simint.dir/ostei/ostei.c.o
[ 99%] Building C object simint/CMakeFiles/simint.dir/shell/shell.c.o
[pbr] AUTHORS complete (0.5s)
running build
running build_py
running egg_info
writing pbr to snsmp2.egg-info/pbr.json
writing snsmp2.egg-info/PKG-INFO
writing dependency_links to snsmp2.egg-info/dependency_links.txt
writing top-level names to snsmp2.egg-info/top_level.txt
[pbr] Reusing existing SOURCES.txt
running install_lib
running install_egg_info
removing '/home/suri/psi4/build/stage/lib/snsmp2-1.9.1-py3.9.egg-info' (and everything under it)
Copying snsmp2.egg-info to /home/suri/psi4/build/stage/lib/snsmp2-1.9.1-py3.9.egg-info
running install_scripts
writing list of installed files to 'record.txt'
[ 73%] Completed 'snsmp2_external'
[ 73%] Built target snsmp2_external
[ 99%] Building C object simint/CMakeFiles/simint.dir/shell/shell_screen.c.o
[100%] Linking C static library libsimint.a
[100%] Built target simint
Consolidate compiler generated dependencies of target example1
Consolidate compiler generated dependencies of target example_packed
[100%] Building C object examples/CMakeFiles/example1.dir/example1.c.o
[100%] Building C object examples/CMakeFiles/example_packed.dir/example_packed.c.o
[100%] Linking C executable example1
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[100%] Built target example1
[100%] Built target example_packed
[ 74%] Performing install step for 'simint_external'
Consolidate compiler generated dependencies of target simint
[100%] Built target simint
Consolidate compiler generated dependencies of target example1
Consolidate compiler generated dependencies of target example_packed
[100%] Built target example1
[100%] Built target example_packed
Install the project...
-- Install configuration: "Release"
-- Up-to-date: /home/suri/psi4/build/stage/include/
-- Up-to-date: /home/suri/psi4/build/stage/include//simint
-- Up-to-date: /home/suri/psi4/build/stage/include//simint/vectorization
-- Installing: /home/suri/psi4/build/stage/include//simint/vectorization/vector_config.h
-- Up-to-date: /home/suri/psi4/build/stage/include//simint/ostei
-- Up-to-date: /home/suri/psi4/build/stage/include//simint/ostei/ostei_config.h
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/simint/simintConfig.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/simint/simintConfigVersion.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/simint/simintTargets.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/simint/simintTargets-release.cmake
-- Installing: /home/suri/psi4/build/stage/lib/libsimint.a
-- Up-to-date: /home/suri/psi4/build/stage/include/simint
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/simint_eri.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/constants.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/simint.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/vectorization
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/vectorization/intrinsics_avx512.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/vectorization/intrinsics_sse.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/vectorization/intrinsics_avx.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/vectorization/vectorization.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/vectorization/intrinsics_scalar.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/ostei
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/ostei/gen
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/ostei/gen/ostei_deriv1_generated.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/ostei/gen/vrr_generated.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/ostei/gen/ostei_generated.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/ostei/gen/hrr_generated.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/ostei/ostei_init.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/ostei/recur_lookup.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/ostei/ostei.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/ostei/ostei_general.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/shell
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/shell/shell_constants.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/shell/shell_screen.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/shell/shell.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/boys
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/boys/boys_taylor.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/boys/boys_shortgrid.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/boys/boys_long.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/boys/boys_longfac.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/boys/boys.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/simint_init.h
-- Up-to-date: /home/suri/psi4/build/stage/include/simint
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/vectorization
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/ostei
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/ostei/gen
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/cpp_restrict.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/shell
-- Up-to-date: /home/suri/psi4/build/stage/include/simint/boys
[ 74%] Completed 'simint_external'
[ 74%] Built target simint_external
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-- Downloading... done
-- extracting...
     src='/home/suri/psi4/build/external/upstream/libxc/libxc_external-prefix/src/libxc-6.2.2.tar.gz'
     dst='/home/suri/psi4/build/external/upstream/libxc/libxc_external-prefix/src/libxc_external'
-- extracting... [tar xfz]
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-- extracting... [analysis]
-- extracting... [rename]
-- extracting... [clean up]
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[ 75%] No update step for 'libxc_external'
[ 76%] No patch step for 'libxc_external'
[ 77%] Performing configure step for 'libxc_external'
loading initial cache file /home/suri/psi4/build/external/upstream/libxc/libxc_external-prefix/tmp/libxc_external-cache-Release.cmake
-- Setting option CMAKE_BUILD_TYPE: Release
-- Setting option BUILD_SHARED_LIBS: OFF
-- Setting option BUILD_TESTING: OFF
-- Setting option BUILD_FPIC: ON
-- Setting option NAMESPACE_INSTALL_INCLUDEDIR: /
-- Setting option ENABLE_GENERIC: OFF
-- Setting option ENABLE_FORTRAN: OFF
-- Setting option ENABLE_PYTHON: OFF
-- Setting option ENABLE_XHOST: ON
-- Performing Test CMAKE_C_FLAGS [-march=native] - Success, Appending
-- Setting option DISABLE_VXC: OFF
-- Setting option DISABLE_FXC: OFF
-- Setting option DISABLE_KXC: ON
-- Setting option DISABLE_LXC: ON
-- Setting option DISABLE_FHC: OFF
-- Version: Full 6.2.2
-- SO Version: Full 14:2:2 Major 12
-- Configuring done
-- Generating done
-- Build files have been written to: /home/suri/psi4/build/external/upstream/libxc/libxc_external-prefix/src/libxc_external-build
[ 78%] Performing build step for 'libxc_external'
Consolidate compiler generated dependencies of target xc
[ 98%] Built target xc
Consolidate compiler generated dependencies of target xc-info
Consolidate compiler generated dependencies of target xc-threshold
[100%] Built target xc-info
[100%] Built target xc-threshold
[ 78%] Performing install step for 'libxc_external'
[ 98%] Built target xc
[100%] Built target xc-info
[100%] Built target xc-threshold
Install the project...
-- Install configuration: "Release"
-- Installing: /home/suri/psi4/build/stage/include/xc.h
-- Up-to-date: /home/suri/psi4/build/stage/include/xc_funcs.h
-- Up-to-date: /home/suri/psi4/build/stage/include/xc_funcs_worker.h
-- Up-to-date: /home/suri/psi4/build/stage/include/xc_funcs_removed.h
-- Up-to-date: /home/suri/psi4/build/stage/include/xc_version.h
-- Up-to-date: /home/suri/psi4/build/stage/bin/xc-info
-- Up-to-date: /home/suri/psi4/build/stage/lib/libxc.a
-- Up-to-date: /home/suri/psi4/build/stage/lib/cmake/Libxc/LibxcConfig.cmake
-- Up-to-date: /home/suri/psi4/build/stage/lib/cmake/Libxc/LibxcConfigVersion.cmake
-- Up-to-date: /home/suri/psi4/build/stage/lib/cmake/Libxc/LibxcTargets-C.cmake
-- Up-to-date: /home/suri/psi4/build/stage/lib/cmake/Libxc/LibxcTargets-C-release.cmake
-- Up-to-date: /home/suri/psi4/build/stage/lib/pkgconfig/libxc.pc
[ 79%] Completed 'libxc_external'
[ 79%] Built target libxc_external
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-- Downloading... done
-- extracting...
     src='/home/suri/psi4/build/external/upstream/pcmsolver/pcmsolver_external-prefix/src/v123_plus_ming.tar.gz'
     dst='/home/suri/psi4/build/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external'
-- extracting... [tar xfz]
-- extracting... [analysis]
-- extracting... [rename]
-- extracting... [clean up]
-- extracting... done
[ 80%] No update step for 'pcmsolver_external'
[ 81%] No patch step for 'pcmsolver_external'
[ 82%] Performing configure step for 'pcmsolver_external'
loading initial cache file /home/suri/psi4/build/external/upstream/pcmsolver/pcmsolver_external-prefix/tmp/pcmsolver_external-cache-Release.cmake
-- Setting option ENABLE_CXX11_SUPPORT: ON
-- Using C++11 standard
-- Turning off extended diagnostic flags.
-- Setting option ENABLE_GPERFTOOLS: OFF
-- Setting option PCMSolver_INSTALL_CMAKEDIR: share/cmake/PCMSolver
-- Setting option PYMOD_INSTALL_LIBDIR (should start with /): /
-- Found Boost 1.74.0 at /usr/lib/x86_64-linux-gnu/cmake/Boost-1.74.0
--   Requested configuration: QUIET
-- Found boost_headers 1.74.0 at /usr/lib/x86_64-linux-gnu/cmake/boost_headers-1.74.0
-- Eigen 3.3.2 is located here: /home/suri/psi4/build/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external/external/eigen3/include/eigen3
-- Configuring done
-- Generating done
-- Build files have been written to: /home/suri/psi4/build/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build
[ 83%] Performing build step for 'pcmsolver_external'
[  0%] Built target generate-config-hpp
[  2%] Generating version info
Undefining version for irreconcilable tags: 1.9.1 (computed) vs 1.2.3 (recorded)
undefined {HEAD} f53cdd7 1.2.3.999   1.2.3 <-- undefined+f53cdd7
[  2%] Built target update_version
Scanning dependencies of target pcm-objlib
Consolidate compiler generated dependencies of target pcm-objlib
[  4%] Building CXX object src/CMakeFiles/pcm-objlib.dir/interface/Meddle.cpp.o
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[ 97%] Built target pcm-objlib
[100%] Linking CXX static library ../lib/libpcm.a
[100%] Built target pcm-static
[ 84%] Performing install step for 'pcmsolver_external'
[  0%] Built target generate-config-hpp
[  2%] Generating version info
Undefining version for irreconcilable tags: 1.9.1 (computed) vs 1.2.3 (recorded)
undefined {HEAD} f53cdd7 1.2.3.999   1.2.3 <-- undefined+f53cdd7
[  2%] Built target update_version
Consolidate compiler generated dependencies of target pcm-objlib
[  4%] Building CXX object src/CMakeFiles/pcm-objlib.dir/interface/Meddle.cpp.o
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[ 97%] Built target pcm-objlib
[100%] Linking CXX static library ../lib/libpcm.a
[100%] Built target pcm-static
Install the project...
-- Install configuration: "Release"
-- Installing: /home/suri/psi4/build/stage/lib/pcmsolver/metadata.py
-- Installing: /home/suri/psi4/build/stage/include/PCMSolver/VersionInfo.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/Citation.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/Config.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/Cxx11Workarounds.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/ErrorHandling.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/LoggerInterface.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/PhysicalConstants.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/STLUtils.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/TimerInterface.hpp
-- Up-to-date: /home/suri/psi4/build/stage/bin/go_pcm.py
-- Up-to-date: /home/suri/psi4/build/stage/bin/plot_cavity.py
-- Up-to-date: /home/suri/psi4/build/stage/lib/pcmsolver/__init__.py
-- Up-to-date: /home/suri/psi4/build/stage/lib/pcmsolver/getkw.py
-- Up-to-date: /home/suri/psi4/build/stage/lib/pcmsolver/pcmdata.py
-- Up-to-date: /home/suri/psi4/build/stage/lib/pcmsolver/pcmparser.py
-- Up-to-date: /home/suri/psi4/build/stage/lib/pcmsolver/pyparsing.py
-- Up-to-date: /home/suri/psi4/build/stage/lib/pcmsolver/external/__init__.py
-- Up-to-date: /home/suri/psi4/build/stage/lib/pcmsolver/external/docopt.py
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/pcmsolver.h
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/PCMInput.h
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/pcmsolver.f90
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/external/libtaylor
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/external/libtaylor/micromath.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/external/libtaylor/unittest_taylor.cpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/external/libtaylor/ctaylor_math.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/external/libtaylor/ctaylor.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/external/libtaylor/tmath.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/external/libtaylor/README
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/external/libtaylor/polymul.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/external/libtaylor/example.cpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/external/libtaylor/taylor_math.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/external/libtaylor/taylor.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/external/libtaylor/CMakeLists.txt
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/cavity/Cavity.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/cavity/CavityData.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/cavity/Element.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/cavity/GePolCavity.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/cavity/ICavity.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/cavity/RestartCavity.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/green/AnisotropicLiquid.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/green/DerivativeTypes.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/green/Green.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/green/GreenData.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/green/GreenUtils.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/green/GreensFunction.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/green/IGreensFunction.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/green/InterfacesImpl.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/green/IonicLiquid.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/green/SphericalDiffuse.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/green/SphericalSharp.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/green/UniformDielectric.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/green/Vacuum.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/interface/Input.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/interface/Meddle.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/bi_operators/BIOperatorData.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/bi_operators/BoundaryIntegralOperator.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/bi_operators/Collocation.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/bi_operators/IBoundaryIntegralOperator.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/bi_operators/Numerical.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/bi_operators/Purisima.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/solver/CPCMSolver.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/solver/IEFSolver.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/solver/ISolver.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/solver/Solver.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/solver/SolverData.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/solver/SolverImpl.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/Atom.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/ChargeDistribution.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/Factory.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/Legendre.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/Logger.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/LoggerImpl.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/MathUtils.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/Molecule.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/QuadratureRules.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/Solvent.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/Sphere.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/SplineFunction.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/Stencils.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/Symmetry.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/Timer.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/cnpy.hpp
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/getkw/Getkw.h
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/getkw/Section.h
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/getkw/Keyword.h
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/utils/getkw/GetkwError.h
-- Installing: /home/suri/psi4/build/stage/lib/libpcm.a
-- Up-to-date: /home/suri/psi4/build/stage/include/PCMSolver/PCMSolverExport.h
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/PCMSolver/PCMSolverConfig.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/PCMSolver/PCMSolverConfigVersion.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/PCMSolver/PCMSolverTargets-static.cmake
-- Up-to-date: /home/suri/psi4/build/stage/share/cmake/PCMSolver/PCMSolverTargets-static-release.cmake
[ 85%] Completed 'pcmsolver_external'
[ 85%] Built target pcmsolver_external
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