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evangelistalab / forte

http://www.evangelistalab.org
GNU Lesser General Public License v3.0
54 stars 30 forks source link

Unable to compile the package. #318

Open Shahxad-Akram opened 1 year ago

Shahxad-Akram commented 1 year ago

I'm trying to compile the package according to the given instructions in the docs but after almost 60% of compilation getting an error:


shahzad@shahzad-XPS-Desk:~/t/forte$ python setup.py develop                                                                                                             (main) 
running develop
/home/shahzad/conda/envs/main/lib/python3.10/site-packages/setuptools/command/easy_install.py:144: EasyInstallDeprecationWarning: easy_install command is deprecated. Use build and pip and other standards-based tools.
  warnings.warn(
/home/shahzad/conda/envs/main/lib/python3.10/site-packages/setuptools/command/install.py:34: SetuptoolsDeprecationWarning: setup.py install is deprecated. Use build and pip and other standards-based tools.
  warnings.warn(
running egg_info
writing forte.egg-info/PKG-INFO
writing dependency_links to forte.egg-info/dependency_links.txt
writing top-level names to forte.egg-info/top_level.txt
reading manifest file 'forte.egg-info/SOURCES.txt'
adding license file 'COPYING'
adding license file 'COPYING.LESSER'
adding license file 'AUTHORS'
writing manifest file 'forte.egg-info/SOURCES.txt'
running build_ext

  Forte compilation options

    BUILD_TYPE = Release
    AMBITPATH = /usr/local/ambit
    MAX_DET_ORB = 64
    ENABLE_CODECOV = OFF
    CMAKE_CONFIG_OPTIONS = 
    CMAKE_BUILD_OPTIONS = 
    NPROCS = 8

loading initial cache file /home/shahzad/conda/envs/main/share/cmake/psi4/psi4PluginCache.cmake
-- Setting option ENABLE_CheMPS2: OFF
-- Setting option ENABLE_OPENMP: ON
-- Setting option ENABLE_MPI: OFF
-- Setting option ENABLE_GA: OFF
-- Setting option MAX_DET_ORB: 64
-- Setting option ENABLE_CODECOV: OFF
-- Setting option ENABLE_UNTESTED_CODE: OFF
-- Found OpenMP_CXX: -fopenmp (found version "4.5") 
-- Found OpenMP: TRUE (found version "4.5")  
-- Psi4 script:   /home/shahzad/conda/envs/main/bin/psi4
-- Psi4 headers:  /home/shahzad/conda/envs/main/include
-- Psi4 library:  /home/shahzad/conda/envs/main/lib/python3.10/site-packages/psi4/core.cpython-310-x86_64-linux-gnu.so
-- Psi4 sys.path: /home/shahzad/conda/envs/main/lib/python3.10/site-packages
-- Psi4 components: ambit;chemps2;dkh;ecpint;gdma;pcmsolver;simint
-- Python executable: /home/shahzad/conda/envs/main/bin/python3.10
-- Found Python: /home/shahzad/conda/envs/main/bin/python3.10 (found suitable version "3.10.4", minimum required is "3.6") found components: Interpreter Development NumPy Development.Module Development.Embed 
-- Found pybind11: /home/shahzad/conda/envs/main/include (found version "2.10.1")
-- Detecting MathOpenMP -- ?OpenMP=ON, ?MKL= MKL, LANG=CXX, C/CXX/Fortran=GNU/GNU/
-- Found OpenMP_CXX: -fopenmp (found version "4.5") 
-- Found OpenMP: TRUE (found version "4.5") found components: CXX 
-- Boost detected. satisfied by headers bundled with Libint2 distribution
-- Libint2Config components requested: 
-- Libint2Config components found: CXX;CXX_ho;C;eri_c2_d0_l2;eri_c2_d0_l3;eri_c2_d0_l4;eri_c2_d0_l5;eri_c2_d0_l6;eri_c2_d1_l2;eri_c2_d1_l3;eri_c2_d1_l4;eri_c2_d1_l5;eri_c2_d2_l2;eri_c2_d2_l3;eri_c2_d2_l4;eri_c3_d0_l2;eri_c3_d0_l3;eri_c3_d0_l4;eri_c3_d0_l5;eri_c3_d0_l6;eri_c3_d1_l2;eri_c3_d1_l3;eri_c3_d1_l4;eri_c3_d1_l5;eri_c3_d2_l2;eri_c3_d2_l3;eri_c3_d2_l4;eri_c4_d0_l2;eri_c4_d0_l3;eri_c4_d0_l4;eri_c4_d0_l5;eri_c4_d1_l2;eri_c4_d1_l3;eri_c4_d1_l4;eri_c4_d2_l2;eri_c4_d2_l3;g12_d0_l2;g12_d0_l3;g12_d0_l4;g12_d1_l2;g12_d1_l3;g12_d1_l4;gss;impure_sh;onebody_d0_l2;onebody_d0_l3;onebody_d0_l4;onebody_d0_l5;onebody_d0_l6;onebody_d1_l2;onebody_d1_l3;onebody_d1_l4;onebody_d1_l5;onebody_d2_l2;onebody_d2_l3;onebody_d2_l4;shared
-- Found Python: /home/shahzad/conda/envs/main/bin/python3.10 (found version "3.10.4") found components: Interpreter Development Development.Module Development.Embed 
-- TargetLAPACKConfig detected.
-- TargetHDF5Config detected.
-- Git current branch: master
-- Git commit hash: ace00765
-- Generating version.h
-- Configuring done
-- Generating done
-- Build files have been written to: /home/shahzad/temp/forte
Consolidate compiler generated dependencies of target forte_benchmarks
Consolidate compiler generated dependencies of target forte_tests
[  1%] Built target forte_benchmarks
[  4%] Built target forte_tests
Consolidate compiler generated dependencies of target _forte
[  5%] Building CXX object forte/CMakeFiles/_forte.dir/api/integrals_api.cc.o
[  5%] Building CXX object forte/CMakeFiles/_forte.dir/api/mospaceinfo_api.cc.o
[  5%] Building CXX object forte/CMakeFiles/_forte.dir/api/cube_file_api.cc.o
[  6%] Building CXX object forte/CMakeFiles/_forte.dir/api/rdms_api.cc.o
[  6%] Building CXX object forte/CMakeFiles/_forte.dir/api/orbital_api.cc.o
[  7%] Building CXX object forte/CMakeFiles/_forte.dir/api/options_api.cc.o
[  8%] Building CXX object forte/CMakeFiles/_forte.dir/api/sci_api.cc.o
[  9%] Building CXX object forte/CMakeFiles/_forte.dir/api/state_info_api.cc.o
[  9%] Building CXX object forte/CMakeFiles/_forte.dir/api/forte_python_module.cc.o
[ 10%] Building CXX object forte/CMakeFiles/_forte.dir/base_classes/active_space_method.cc.o
[ 11%] Building CXX object forte/CMakeFiles/_forte.dir/base_classes/active_space_solver.cc.o
[ 11%] Building CXX object forte/CMakeFiles/_forte.dir/base_classes/dynamic_correlation_solver.cc.o
[ 12%] Building CXX object forte/CMakeFiles/_forte.dir/base_classes/forte_options.cc.o
[ 12%] Building CXX object forte/CMakeFiles/_forte.dir/base_classes/mo_space_info.cc.o
[ 13%] Building CXX object forte/CMakeFiles/_forte.dir/base_classes/orbital_transform.cc.o
In file included from /home/shahzad/temp/forte/forte/./mrdsrg-helper/run_dsrg.h:7:0,
                 from /home/shahzad/temp/forte/forte/api/forte_python_module.cc:60:
/home/shahzad/temp/forte/forte/./sci/fci_mo.h: In member function 'std::shared_ptr<forte::RDMs> forte::FCI_MO::reference(int)':
/home/shahzad/temp/forte/forte/./sci/fci_mo.h:150:46: warning: 'std::vector<std::shared_ptr<forte::RDMs> > forte::FCI_MO::reference(const std::vector<std::pair<long unsigned int, long unsigned int> >&, int)' is deprecated [-Wdeprecated-declarations]
         return reference(roots, max_rdm_level)[0];
                                              ^
/home/shahzad/temp/forte/forte/./sci/fci_mo.h:145:5: note: declared here
     reference(const std::vector<std::pair<size_t, size_t>>& root_list, int max_rdm_level);
     ^~~~~~~~~
In file included from /home/shahzad/temp/forte/forte/base_classes/active_space_method.cc:46:0:
/home/shahzad/temp/forte/forte/./sci/fci_mo.h: In member function 'std::shared_ptr<forte::RDMs> forte::FCI_MO::reference(int)':
/home/shahzad/temp/forte/forte/./sci/fci_mo.h:150:46: warning: 'std::vector<std::shared_ptr<forte::RDMs> > forte::FCI_MO::reference(const std::vector<std::pair<long unsigned int, long unsigned int> >&, int)' is deprecated [-Wdeprecated-declarations]
         return reference(roots, max_rdm_level)[0];
                                              ^
/home/shahzad/temp/forte/forte/./sci/fci_mo.h:145:5: note: declared here
     reference(const std::vector<std::pair<size_t, size_t>>& root_list, int max_rdm_level);
     ^~~~~~~~~
/home/shahzad/temp/forte/forte/base_classes/active_space_method.cc: In member function 'std::vector<std::shared_ptr<psi::Vector> > forte::ActiveSpaceMethod::compute_transition_dipole_same_orbs(std::shared_ptr<forte::ActiveMultipoleIntegrals>, const std::vector<std::pair<long unsigned int, long unsigned int> >&, std::shared_ptr<forte::ActiveSpaceMethod>)':
/home/shahzad/temp/forte/forte/base_classes/active_space_method.cc:364:15: warning: unused variable 'globals' [-Wunused-variable]
         auto& globals = psi::Process::environment.globals;
               ^~~~~~~
[ 14%] Building CXX object forte/CMakeFiles/_forte.dir/base_classes/rdms.cc.o
[ 14%] Building CXX object forte/CMakeFiles/_forte.dir/base_classes/scf_info.cc.o
[ 15%] Building CXX object forte/CMakeFiles/_forte.dir/base_classes/state_info.cc.o
[ 16%] Building CXX object forte/CMakeFiles/_forte.dir/casscf/casscf.cc.o
[ 16%] Building CXX object forte/CMakeFiles/_forte.dir/casscf/casscf_gradient.cc.o
[ 17%] Building CXX object forte/CMakeFiles/_forte.dir/casscf/casscf_orb_grad.cc.o
/home/shahzad/temp/forte/forte/base_classes/active_space_method.cc: At top level:
cc1plus: warning: unrecognized command line option '-Wno-c++1z-extensions'
[ 18%] Building CXX object forte/CMakeFiles/_forte.dir/casscf/casscf_orb_grad_deriv.cc.o
[ 18%] Building CXX object forte/CMakeFiles/_forte.dir/casscf/cpscf.cc.o
In file included from /home/shahzad/temp/forte/forte/casscf/casscf.cc:50:0:
/home/shahzad/temp/forte/forte/./sci/fci_mo.h: In member function 'std::shared_ptr<forte::RDMs> forte::FCI_MO::reference(int)':
/home/shahzad/temp/forte/forte/./sci/fci_mo.h:150:46: warning: 'std::vector<std::shared_ptr<forte::RDMs> > forte::FCI_MO::reference(const std::vector<std::pair<long unsigned int, long unsigned int> >&, int)' is deprecated [-Wdeprecated-declarations]
         return reference(roots, max_rdm_level)[0];
                                              ^
/home/shahzad/temp/forte/forte/./sci/fci_mo.h:145:5: note: declared here
     reference(const std::vector<std::pair<size_t, size_t>>& root_list, int max_rdm_level);
     ^~~~~~~~~
[ 19%] Building CXX object forte/CMakeFiles/_forte.dir/casscf/mcscf_2step.cc.o
[ 19%] Building CXX object forte/CMakeFiles/_forte.dir/ci_ex_states/excited_state_solver.cc.o
[ 20%] Building CXX object forte/CMakeFiles/_forte.dir/ci_rdm/ci_rdms.cc.o
[ 21%] Building CXX object forte/CMakeFiles/_forte.dir/ci_rdm/ci_rdms_dynamic.cc.o
[ 21%] Building CXX object forte/CMakeFiles/_forte.dir/ci_rdm/ci_rdms_sf.cc.o
/home/shahzad/temp/forte/forte/casscf/mcscf_2step.cc: In member function 'bool forte::MCSCF_2STEP::is_single_reference()':
/home/shahzad/temp/forte/forte/casscf/mcscf_2step.cc:421:35: warning: unused variable '_' [-Wunused-variable]
         for (const auto& [state, _] : state_weights_map_) {
                                   ^
/home/shahzad/temp/forte/forte/casscf/casscf.cc: At top level:
cc1plus: warning: unrecognized command line option '-Wno-c++1z-extensions'
[ 22%] Building CXX object forte/CMakeFiles/_forte.dir/dmrg/dmrgsolver.cc.o
[ 23%] Building CXX object forte/CMakeFiles/_forte.dir/fci/binary_graph.cc.o
/home/shahzad/temp/forte/forte/api/forte_python_module.cc: At top level:
cc1plus: warning: unrecognized command line option '-Wno-c++1z-extensions'
[ 23%] Building CXX object forte/CMakeFiles/_forte.dir/fci/fci_solver.cc.o
[ 24%] Building CXX object forte/CMakeFiles/_forte.dir/fci/fci_vector.cc.o
[ 25%] Building CXX object forte/CMakeFiles/_forte.dir/fci/fci_vector_h_diag.cc.o
/home/shahzad/temp/forte/forte/casscf/mcscf_2step.cc: At top level:
cc1plus: warning: unrecognized command line option '-Wno-c++1z-extensions'
[ 25%] Building CXX object forte/CMakeFiles/_forte.dir/fci/fci_vector_hamiltonian.cc.o
[ 26%] Building CXX object forte/CMakeFiles/_forte.dir/fci/fci_vector_rdm.cc.o
[ 26%] Building CXX object forte/CMakeFiles/_forte.dir/fci/string_hole_list.cc.o
[ 27%] Building CXX object forte/CMakeFiles/_forte.dir/fci/string_lists.cc.o
[ 28%] Building CXX object forte/CMakeFiles/_forte.dir/fci/string_oo_list.cc.o
[ 28%] Building CXX object forte/CMakeFiles/_forte.dir/fci/string_vo_list.cc.o
[ 29%] Building CXX object forte/CMakeFiles/_forte.dir/fci/string_vvoo_list.cc.o
[ 30%] Building CXX object forte/CMakeFiles/_forte.dir/finite_temperature/finite_temperature.cc.o
[ 30%] Building CXX object forte/CMakeFiles/_forte.dir/forte.cc.o
[ 31%] Building CXX object forte/CMakeFiles/_forte.dir/gradient_tpdm/backtransform_tpdm.cc.o
[ 32%] Building CXX object forte/CMakeFiles/_forte.dir/gradient_tpdm/integraltransform_tpdm_unrestricted.cc.o
[ 32%] Building CXX object forte/CMakeFiles/_forte.dir/gradient_tpdm/integraltransform_tpdm_restricted.cc.o
[ 33%] Building CXX object forte/CMakeFiles/_forte.dir/helpers/blockedtensorfactory.cc.o
[ 33%] Building CXX object forte/CMakeFiles/_forte.dir/helpers/combinatorial.cc.o
[ 34%] Building CXX object forte/CMakeFiles/_forte.dir/helpers/cube_file.cc.o
[ 35%] Building CXX object forte/CMakeFiles/_forte.dir/helpers/disk_io.cc.o
[ 35%] Building CXX object forte/CMakeFiles/_forte.dir/helpers/helpers.cc.o
[ 36%] Building CXX object forte/CMakeFiles/_forte.dir/helpers/symmetry.cc.o
[ 36%] Building CXX object forte/CMakeFiles/_forte.dir/helpers/lbfgs/lbfgs.cc.o
[ 37%] Building CXX object forte/CMakeFiles/_forte.dir/helpers/iterative_solvers.cc.o
/home/shahzad/temp/forte/forte/helpers/iterative_solvers.cc:38:5: warning: multi-line comment [-Wcomment]
     //    std::vector<std::pair<size_t, std::string>> v = {{collapse_size_, "collapse_size_"},           \
     ^
[ 38%] Building CXX object forte/CMakeFiles/_forte.dir/helpers/lbfgs/lbfgs_param.cc.o
[ 39%] Building CXX object forte/CMakeFiles/_forte.dir/helpers/lbfgs/rosenbrock.cc.o
[ 39%] Building CXX object forte/CMakeFiles/_forte.dir/helpers/printing.cc.o
[ 40%] Building CXX object forte/CMakeFiles/_forte.dir/helpers/spinorbital_helpers.cc.o
[ 40%] Building CXX object forte/CMakeFiles/_forte.dir/helpers/string_algorithms.cc.o
[ 41%] Building CXX object forte/CMakeFiles/_forte.dir/integrals/active_space_integrals.cc.o
/home/shahzad/temp/forte/forte/helpers/iterative_solvers.cc: In member function 'forte::SolverStatus forte::DavidsonLiuSolver::update()':
/home/shahzad/temp/forte/forte/helpers/iterative_solvers.cc:211:83: warning: 'int psi::schmidt_add(double**, int, int, double*)' is deprecated: The libqt schmidt_add function is deprecated and 1.7 will be the last release to have it. [-Wdeprecated-declarations]
                 if (schmidt_add(b_->pointer(), basis_size_, size_, f->pointer()[k])) {
                                                                                   ^
In file included from /home/shahzad/temp/forte/forte/./helpers/timer.h:33:0,
                 from /home/shahzad/temp/forte/forte/helpers/iterative_solvers.cc:33:
/home/shahzad/conda/envs/main/include/psi4/libqt/qt.h:57:13: note: declared here
 PSI_API int schmidt_add(double** A, int rows, int cols, double* v);
             ^~~~~~~~~~~
/home/shahzad/temp/forte/forte/helpers/iterative_solvers.cc: In member function 'bool forte::DavidsonLiuSolver::subspace_collapse()':
/home/shahzad/temp/forte/forte/helpers/iterative_solvers.cc:337:76: warning: 'int psi::schmidt_add(double**, int, int, double*)' is deprecated: The libqt schmidt_add function is deprecated and 1.7 will be the last release to have it. [-Wdeprecated-declarations]
                 if (schmidt_add(b_->pointer(), k, size_, bnew->pointer()[k])) {
                                                                            ^
In file included from /home/shahzad/temp/forte/forte/./helpers/timer.h:33:0,
                 from /home/shahzad/temp/forte/forte/helpers/iterative_solvers.cc:33:
/home/shahzad/conda/envs/main/include/psi4/libqt/qt.h:57:13: note: declared here
 PSI_API int schmidt_add(double** A, int rows, int cols, double* v);
             ^~~~~~~~~~~
/home/shahzad/temp/forte/forte/helpers/iterative_solvers.cc:367:72: warning: 'int psi::schmidt_add(double**, int, int, double*)' is deprecated: The libqt schmidt_add function is deprecated and 1.7 will be the last release to have it. [-Wdeprecated-declarations]
             if (schmidt_add(b_->pointer(), k, size_, bnew->pointer()[k])) {
                                                                        ^
In file included from /home/shahzad/temp/forte/forte/./helpers/timer.h:33:0,
                 from /home/shahzad/temp/forte/forte/helpers/iterative_solvers.cc:33:
/home/shahzad/conda/envs/main/include/psi4/libqt/qt.h:57:13: note: declared here
 PSI_API int schmidt_add(double** A, int rows, int cols, double* v);
             ^~~~~~~~~~~
[ 42%] Building CXX object forte/CMakeFiles/_forte.dir/integrals/cholesky_integrals.cc.o
[ 42%] Building CXX object forte/CMakeFiles/_forte.dir/integrals/conventional_integrals.cc.o
/home/shahzad/temp/forte/forte/helpers/lbfgs/lbfgs.cc: In instantiation of 'void forte::LBFGS::line_search_bracketing_zoom(Foo&, psi::SharedVector, double&, double&) [with Foo = forte::ROSENBROCK; psi::SharedVector = std::shared_ptr<psi::Vector>]':
/home/shahzad/temp/forte/forte/helpers/lbfgs/lbfgs.cc:198:9:   required from 'void forte::LBFGS::next_step(Foo&, psi::SharedVector, double&, double&) [with Foo = forte::ROSENBROCK; psi::SharedVector = std::shared_ptr<psi::Vector>]'
/home/shahzad/temp/forte/forte/helpers/lbfgs/lbfgs.cc:101:9:   required from 'double forte::LBFGS::minimize(Foo&, psi::SharedVector) [with Foo = forte::ROSENBROCK; psi::SharedVector = std::shared_ptr<psi::Vector>]'
/home/shahzad/temp/forte/forte/helpers/lbfgs/lbfgs.cc:438:70:   required from here
/home/shahzad/temp/forte/forte/helpers/lbfgs/lbfgs.cc:302:26: warning: variable 'fx_high' set but not used [-Wunused-but-set-variable]
     double fx_low = fx0, fx_high = fx0;
                          ^~~~~~~
/home/shahzad/temp/forte/forte/helpers/lbfgs/lbfgs.cc: In instantiation of 'void forte::LBFGS::line_search_bracketing_zoom(Foo&, psi::SharedVector, double&, double&) [with Foo = forte::CASSCF_ORB_GRAD; psi::SharedVector = std::shared_ptr<psi::Vector>]':
/home/shahzad/temp/forte/forte/helpers/lbfgs/lbfgs.cc:198:9:   required from 'void forte::LBFGS::next_step(Foo&, psi::SharedVector, double&, double&) [with Foo = forte::CASSCF_ORB_GRAD; psi::SharedVector = std::shared_ptr<psi::Vector>]'
/home/shahzad/temp/forte/forte/helpers/lbfgs/lbfgs.cc:101:9:   required from 'double forte::LBFGS::minimize(Foo&, psi::SharedVector) [with Foo = forte::CASSCF_ORB_GRAD; psi::SharedVector = std::shared_ptr<psi::Vector>]'
/home/shahzad/temp/forte/forte/helpers/lbfgs/lbfgs.cc:439:75:   required from here
/home/shahzad/temp/forte/forte/helpers/lbfgs/lbfgs.cc:302:26: warning: variable 'fx_high' set but not used [-Wunused-but-set-variable]
/home/shahzad/temp/forte/forte/helpers/lbfgs/lbfgs.cc: In instantiation of 'void forte::LBFGS::line_search_bracketing_zoom(Foo&, psi::SharedVector, double&, double&) [with Foo = forte::CPSCF; psi::SharedVector = std::shared_ptr<psi::Vector>]':
/home/shahzad/temp/forte/forte/helpers/lbfgs/lbfgs.cc:198:9:   required from 'void forte::LBFGS::next_step(Foo&, psi::SharedVector, double&, double&) [with Foo = forte::CPSCF; psi::SharedVector = std::shared_ptr<psi::Vector>]'
/home/shahzad/temp/forte/forte/helpers/lbfgs/lbfgs.cc:101:9:   required from 'double forte::LBFGS::minimize(Foo&, psi::SharedVector) [with Foo = forte::CPSCF; psi::SharedVector = std::shared_ptr<psi::Vector>]'
/home/shahzad/temp/forte/forte/helpers/lbfgs/lbfgs.cc:440:65:   required from here
/home/shahzad/temp/forte/forte/helpers/lbfgs/lbfgs.cc:302:26: warning: variable 'fx_high' set but not used [-Wunused-but-set-variable]
[ 43%] Building CXX object forte/CMakeFiles/_forte.dir/integrals/custom_integrals.cc.o
/home/shahzad/temp/forte/forte/helpers/iterative_solvers.cc: At top level:
cc1plus: warning: unrecognized command line option '-Wno-c++1z-extensions'
[ 44%] Building CXX object forte/CMakeFiles/_forte.dir/integrals/df_integrals.cc.o
[ 44%] Building CXX object forte/CMakeFiles/_forte.dir/integrals/diskdf_integrals.cc.o
cc1plus: warning: unrecognized command line option '-Wno-c++1z-extensions'
[ 45%] Building CXX object forte/CMakeFiles/_forte.dir/integrals/distribute_df_integrals.cc.o
[ 46%] Building CXX object forte/CMakeFiles/_forte.dir/integrals/integrals.cc.o
[ 46%] Building CXX object forte/CMakeFiles/_forte.dir/integrals/integrals_psi4_interface.cc.o
[ 47%] Building CXX object forte/CMakeFiles/_forte.dir/integrals/make_integrals.cc.o
[ 47%] Building CXX object forte/CMakeFiles/_forte.dir/integrals/one_body_integrals.cc.o
[ 48%] Building CXX object forte/CMakeFiles/_forte.dir/integrals/parallel_ccvv_algorithms.cc.o
[ 49%] Building CXX object forte/CMakeFiles/_forte.dir/integrals/paralleldfmo.cc.o
[ 49%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-helper/dsrg_mem.cc.o
[ 50%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-helper/dsrg_source.cc.o
[ 51%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-helper/dsrg_time.cc.o
[ 51%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-helper/dsrg_transformed.cc.o
[ 52%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-helper/run_dsrg.cc.o
[ 53%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-so/mrdsrg_so.cc.o
[ 53%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-so/so-mrdsrg.cc.o
[ 54%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-spin-adapted/dsrg_mrpt.cc.o
[ 54%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-spin-adapted/dsrg_mrpt_2nd.cc.o
[ 55%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-spin-adapted/dsrg_mrpt_amp.cc.o
[ 56%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-spin-adapted/dsrg_mrpt_comm.cc.o
In file included from /home/shahzad/temp/forte/forte/mrdsrg-helper/run_dsrg.h:7:0,
                 from /home/shahzad/temp/forte/forte/mrdsrg-helper/run_dsrg.cc:41:
/home/shahzad/temp/forte/forte/./sci/fci_mo.h: In member function 'std::shared_ptr<forte::RDMs> forte::FCI_MO::reference(int)':
/home/shahzad/temp/forte/forte/./sci/fci_mo.h:150:46: warning: 'std::vector<std::shared_ptr<forte::RDMs> > forte::FCI_MO::reference(const std::vector<std::pair<long unsigned int, long unsigned int> >&, int)' is deprecated [-Wdeprecated-declarations]
         return reference(roots, max_rdm_level)[0];
                                              ^
/home/shahzad/temp/forte/forte/./sci/fci_mo.h:145:5: note: declared here
     reference(const std::vector<std::pair<size_t, size_t>>& root_list, int max_rdm_level);
     ^~~~~~~~~
[ 56%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-spin-adapted/sadsrg.cc.o
/home/shahzad/temp/forte/forte/mrdsrg-helper/run_dsrg.cc: At top level:
cc1plus: warning: unrecognized command line option '-Wno-c++1z-extensions'
[ 57%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-spin-adapted/sadsrg_amps_analysis.cc.o
[ 58%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-spin-adapted/sadsrg_block_labels.cc.o
[ 58%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-spin-adapted/sadsrg_comm.cc.o
[ 59%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-spin-adapted/sa_dsrgpt.cc.o
[ 60%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-spin-adapted/sa_ldsrg2.cc.o
[ 60%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-spin-adapted/sa_mrdsrg.cc.o
[ 61%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-spin-adapted/sa_mrdsrg_amps.cc.o
/home/shahzad/temp/forte/forte/mrdsrg-spin-adapted/sa_ldsrg2.cc: In member function 'void forte::SA_MRDSRG::compute_mbar_ldsrg2(const ambit::BlockedTensor&, int, int)':
/home/shahzad/temp/forte/forte/mrdsrg-spin-adapted/sa_ldsrg2.cc:652:33: error: passing 'const ambit::BlockedTensor' as 'this' argument discards qualifiers [-fpermissive]
         auto& M1c = M.block("cc").data();
                                 ^
In file included from /home/shahzad/temp/forte/forte/mrdsrg-spin-adapted/sadsrg.h:32:0,
                 from /home/shahzad/temp/forte/forte/mrdsrg-spin-adapted/sa_mrdsrg.h:35,
                 from /home/shahzad/temp/forte/forte/mrdsrg-spin-adapted/sa_ldsrg2.cc:36:
/home/shahzad/conda/envs/main/include/ambit/blocked_tensor.h:256:12: note:   in call to 'ambit::Tensor ambit::BlockedTensor::block(const string&)'
     Tensor block(const std::string &indices);
            ^~~~~
[ 61%] Building CXX object forte/CMakeFiles/_forte.dir/mrdsrg-spin-adapted/sa_mrdsrg_diis.cc.o
At global scope:
cc1plus: warning: unrecognized command line option '-Wno-c++1z-extensions'
gmake[2]: *** [forte/CMakeFiles/_forte.dir/build.make:1294: forte/CMakeFiles/_forte.dir/mrdsrg-spin-adapted/sa_ldsrg2.cc.o] Error 1
gmake[2]: *** Waiting for unfinished jobs....
gmake[1]: *** [CMakeFiles/Makefile2:154: forte/CMakeFiles/_forte.dir/all] Error 2
gmake: *** [Makefile:91: all] Error 2
Traceback (most recent call last):
  File "/home/shahzad/temp/forte/setup.py", line 154, in <module>
    setup(
  File "/home/shahzad/conda/envs/main/lib/python3.10/site-packages/setuptools/__init__.py", line 87, in setup
    return distutils.core.setup(**attrs)
  File "/home/shahzad/conda/envs/main/lib/python3.10/site-packages/setuptools/_distutils/core.py", line 185, in setup
    return run_commands(dist)
  File "/home/shahzad/conda/envs/main/lib/python3.10/site-packages/setuptools/_distutils/core.py", line 201, in run_commands
    dist.run_commands()
  File "/home/shahzad/conda/envs/main/lib/python3.10/site-packages/setuptools/_distutils/dist.py", line 969, in run_commands
    self.run_command(cmd)
  File "/home/shahzad/conda/envs/main/lib/python3.10/site-packages/setuptools/dist.py", line 1208, in run_command
    super().run_command(command)
  File "/home/shahzad/conda/envs/main/lib/python3.10/site-packages/setuptools/_distutils/dist.py", line 988, in run_command
    cmd_obj.run()
  File "/home/shahzad/conda/envs/main/lib/python3.10/site-packages/setuptools/command/develop.py", line 34, in run
    self.install_for_development()
  File "/home/shahzad/conda/envs/main/lib/python3.10/site-packages/setuptools/command/develop.py", line 114, in install_for_development
    self.run_command('build_ext')
  File "/home/shahzad/conda/envs/main/lib/python3.10/site-packages/setuptools/_distutils/cmd.py", line 318, in run_command
    self.distribution.run_command(command)
  File "/home/shahzad/conda/envs/main/lib/python3.10/site-packages/setuptools/dist.py", line 1208, in run_command
    super().run_command(command)
  File "/home/shahzad/conda/envs/main/lib/python3.10/site-packages/setuptools/_distutils/dist.py", line 988, in run_command
    cmd_obj.run()
  File "/home/shahzad/temp/forte/setup.py", line 58, in run
    self.build_extension(ext)
  File "/home/shahzad/temp/forte/setup.py", line 115, in build_extension
    subprocess.check_call(["cmake", "--build", "."] + build_args)
  File "/home/shahzad/conda/envs/main/lib/python3.10/subprocess.py", line 369, in check_call
    raise CalledProcessError(retcode, cmd)
subprocess.CalledProcessError: Command '['cmake', '--build', '.', '-j8']' returned non-zero exit status 2.
lcyyork commented 1 year ago

Hi, could you update ambit and try again?