$ which gfortran
/usr/local/bin/gfortran
$ gfortran -v
Using built-in specs.
COLLECT_GCC=gfortran
COLLECT_LTO_WRAPPER=/usr/local/libexec/gcc/x86_64-apple-darwin15.0.0/5.3.0/lto-wrapper
Target: x86_64-apple-darwin15.0.0
Configured with: ../gcc-5.3.0/configure --enable-languages=fortran,c,c++
Thread model: posix
gcc version 5.3.0 (GCC)
$ gfortran -fdefault-integer-8 -fno-aggressive-loop-optimizations -c $NWCHEM_TOP/src/tools/ga-5-4/LinAlg/lapack+blas/gal_dcabs1.f
<no output>
Macports is definitely gone- the /opt/local folder no longer exists. However, I guess there were some issues with leftover environment variables, or not remaking nwchem_config, or something.
With a cleaner reinstall of openmpi and openblast, I managed to get an nwchem install to proceed past the linalg issue, but I'm running into other issues:
Making libraries in ccca
gfortran -c -cpp -fdefault-integer-8 -Warray-bounds -g -fno-aggressive-loop-optimizations -I. -I../basis -I/Users/owengray/nwchem-6.6//src/include -I/Users/owengray/nwchem-6.6//src/tools/install/include -DMACX -DEXT_INT -DGFORTRAN -DGCC4 -DGCC46 -DPARALLEL_DIAG task_ccca.F
gfortran -c -cpp -fdefault-integer-8 -Warray-bounds -g -fno-aggressive-loop-optimizations -I. -I../basis -I/Users/owengray/nwchem-6.6//src/include -I/Users/owengray/nwchem-6.6//src/tools/install/include -DMACX -DEXT_INT -DGFORTRAN -DGCC4 -DGCC46 -DPARALLEL_DIAG ccca_utils.F
Got lock on /Users/owengray/nwchem-6.6//lib/MACX64/libccca.lock
ar r /Users/owengray/nwchem-6.6//lib/MACX64/libccca.a task_ccca.o ccca_utils.o
ranlib /Users/owengray/nwchem-6.6//lib/MACX64/libccca.a
/Applications/Xcode.app/Contents/Developer/usr/bin/make nwchem.o stubs.o
gfortran -cpp -fdefault-integer-8 -Warray-bounds -g -fno-aggressive-loop-optimizations -I. -I/Users/owengray/nwchem-6.6//src/include -I/Users/owengray/nwchem-6.6//src/tools/install/include -DMACX -DEXT_INT -DGFORTRAN -DGCC4 -DGCC46 -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/Users/owengray/nwchem-6.6/'" -DNWCHEM_BRANCH="'6.6'" -c -o nwchem.o nwchem.F
gfortran -cpp -fdefault-integer-8 -Warray-bounds -g -fno-aggressive-loop-optimizations -I. -I/Users/owengray/nwchem-6.6//src/include -I/Users/owengray/nwchem-6.6//src/tools/install/include -DMACX -DEXT_INT -DGFORTRAN -DGCC4 -DGCC46 -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/Users/owengray/nwchem-6.6/'" -DNWCHEM_BRANCH="'6.6'" -c -o stubs.o stubs.F
gfortran -L/Users/owengray/nwchem-6.6//lib/MACX64 -L/Users/owengray/nwchem-6.6//src/tools/install/lib -o /Users/owengray/nwchem-6.6//bin/MACX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil -lnwclapack -lnwcblas -lnwclapack -lnwcblas -L/usr/local/opt/libevent/lib -L/usr/local/Cellar/open-mpi/1.10.2_1/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi
Undefined symbols for architecture x86_64:
"_ixamax_", referenced from:
_pneb_w_dmax_ in libnwpwlib.a(Pneb.o)
"_iyamax_", referenced from:
_driver_sad_search_dir_ in libdriver.a(opt_drv.o)
_sym_movecs_adapt_ in libnwcutil.a(sym_mo_adapt.o)
_fd_make_vectors_ in libnwctask.a(task_num_grad.o)
_tropt_pickstp_ in liboptim.a(tropt_drv.o)
_dgefa_ in libvscf.a(vscf.o)
_dneall_m_dmax_ in libnwpwlib.a(Dne.o)
_mcscf_canonical_ in libmcscf.a(mcscf_aux.o)
...
"_xaxpy_", referenced from:
_pneb_w_axpy_ in libnwpwlib.a(Pneb.o)
_silvestrelli_minimize_ in libpspw.a(silvestrelli_minimize.o)
_silvestrelli_minimize_old_ in libpspw.a(silvestrelli_minimize_old.o)
_cpsi_lmbda_ in libband.a(cpsi_lmbda.o)
_sym_get_spin_op_ in libnwdft.a(sym_op_clsfy_so.o)
"_xcopy_", referenced from:
_c3db_cr_fft3b_ in libnwpwlib.a(C3dB-new.o)
_c3db_rc_fft3f_ in libnwpwlib.a(C3dB-new.o)
_c3db_pfftby_ in libnwpwlib.a(C3dB_pfft.o)
_c3db_pfftbz_ in libnwpwlib.a(C3dB_pfft.o)
_c3db_pfftfz_ in libnwpwlib.a(C3dB_pfft.o)
_c3db_pfftfy_ in libnwpwlib.a(C3dB_pfft.o)
_c3db_cr_pfft3b_ in libnwpwlib.a(C3dB_pfft.o)
...
"_xgemm_", referenced from:
_zpatch_test_ in libnwcutil.a(util_patch_test.o)
_cpsp_v_nonlocal_ in libband.a(cpsp.o)
_cpsp_v_nonlocal_orb_ in libband.a(cpsp.o)
_cram_ccm_izgemm_ in libnwpwlib.a(cram.o)
_cram_ccm_sym_izgemm_ in libnwpwlib.a(cram.o)
_cram_cmc_zgemm_ in libnwpwlib.a(cram.o)
_dneall_www_multiply_ in libnwpwlib.a(Dne.o)
...
"_xheev_", referenced from:
_pneb_w_diag_ in libnwpwlib.a(Pneb.o)
_pneb_wne_diag_ in libnwpwlib.a(Pneb.o)
_vib_gendynamicmatrix_ in libvib.a(vib_phonon.o)
_dft_scf_so_ in libnwdft.a(dft_scf_so.o)
"_xscal_", referenced from:
_cpsp_v_nonlocal_ in libband.a(cpsp.o)
_cpsp_v_nonlocal_orb_ in libband.a(cpsp.o)
_cpsp_f_vnonlocal_ in libband.a(cpsp.o)
_cpsp_v_nonlocal_euv_2_ in libband.a(cpsp_stress.o)
_cpsp_v_nonlocal_orb_2com_ in libband.a(cpsp_relativistic.o)
_cpsp_v_spin_orbit_ in libband.a(cpsp_relativistic.o)
_cpsp_v_spin_orbit_orb_ in libband.a(cpsp_relativistic.o)
...
"_yasum_", referenced from:
_tred2 in libpeigs.a(tred22.o)
_inv_it3 in libpeigs.a(inv_it3.o)
"_yaxpy_", referenced from:
_geom_binvr_ in libnwcutil.a(geom_hnd.o)
_mepgs_chk_ in liboptim.a(mepgs_drv.o)
_gsopt_cart_pmat_ in liboptim.a(mepgs_drv.o)
_gsopt_take_step_ in liboptim.a(mepgs_drv.o)
_gsopt_pickstp_ in liboptim.a(mepgs_drv.o)
_gsopt_compute_info_ in liboptim.a(mepgs_drv.o)
_gsopt_initialize_ in liboptim.a(mepgs_drv.o)
...
"_ycopy_", referenced from:
_bas_rtdb_do_load_ in libnwcutil.a(basis.o)
_geom_prt_dihedrals_ in libnwcutil.a(geom.o)
_geom_calc_dihedral_ in libnwcutil.a(geom.o)
_geom_vel_set_ in libnwcutil.a(geom.o)
_geom_vel_get_ in libnwcutil.a(geom.o)
_geom_lattice_set_ in libnwcutil.a(geom.o)
_geom_amatrix_set_ in libnwcutil.a(geom.o)
...
"_ydot_", referenced from:
_out_of_plane_angle_ in libnwcutil.a(geom_hnd.o)
_hnd_tftr_ in libnwcutil.a(geom_hnd.o)
_geom_print_ in libnwcutil.a(geom.o)
_geom_compute_values_ in libnwcutil.a(geom.o)
_geom_rtdb_load_ in libnwcutil.a(geom.o)
_geom_zmat_to_cart_ in libnwcutil.a(geom_input.o)
_mepgs_hessian_update_ in liboptim.a(mepgs_drv.o)
...
"_ygebak_", referenced from:
_tce_dgeev_ in libtce.a(tce_dgeev.o)
"_ygebal_", referenced from:
_tce_dgeev_ in libtce.a(tce_dgeev.o)
"_ygeev_", referenced from:
_tce_eom_ydiagon_ in libtce.a(tce_eom_ydiagon.o)
"_ygeevx_", referenced from:
_util_dgeev_ in libnwcutil.a(util_dgeev.o)
"_ygehrd_", referenced from:
_tce_dgeev_ in libtce.a(tce_dgeev.o)
"_ygemm_", referenced from:
_geom_binvr_ in libnwcutil.a(geom_hnd.o)
_gsopt_project_hess_grad_ in liboptim.a(mepgs_drv.o)
_gsopt_hss_init_ in liboptim.a(mepgs_drv.o)
_gsopt_hess_cart_guess_ in liboptim.a(mepgs_drv.o)
_mepgs_hss_init_ in liboptim.a(mepgs_drv.o)
_mepgs_hess_cart_guess_ in liboptim.a(mepgs_drv.o)
_driver_project_hess_grad_ in libdriver.a(opt_drv.o)
...
"_ygemv_", referenced from:
_geom_impose_constraints_ in libnwcutil.a(geom_input.o)
_geom_update_cart_from_int_ in libnwcutil.a(geom_input.o)
_mepgs_hessian_update_ in liboptim.a(mepgs_drv.o)
_gsopt_hessian_update_ in liboptim.a(mepgs_drv.o)
_gsopt_pickstp_ in liboptim.a(mepgs_drv.o)
_gsopt_symmetrize_step_ in liboptim.a(mepgs_drv.o)
_gsopt_project_hess_grad_ in liboptim.a(mepgs_drv.o)
...
"_yger_", referenced from:
_ecp_local2_ in libnwints.a(ecp_local2.o)
"_ygesv_", referenced from:
_get_charges_ in libdplot.a(get_charges.o)
_ga_iter_lsolve_ in libnwcutil.a(ga_it_lsolve.o)
_pspw_gen_apc_ in libpspw.a(pspw_APC.o)
_pspw_potential_sic_oep_ in libpspw.a(pspw_sic.o)
_xlm_y_rotation_matrix_ in libddscf.a(xlm_poles.o)
_band_interpolate_eigs_ in libband.a(band_interpolate_structure.o)
_mcscf_precond_ in libmcscf.a(mcscf_prcnd.o)
...
"_ygesvd_", referenced from:
_ga_svd_seq_ in libnwcutil.a(ga_it2.o)
_cdft_newt_ in libnwdft.a(cdft_util.o)
"_yhseqr_", referenced from:
_tce_dgeev_ in libtce.a(tce_dgeev.o)
"_ylacpy_", referenced from:
_dmatrix_dgemm3_ in libnwpwlib.a(DMatrix-mpi.o)
_dmatrix_dgemm1_ in libnwpwlib.a(DMatrix-mpi.o)
_dmatrix_dgemm2_ in libnwpwlib.a(DMatrix-mpi.o)
_dmatrix_combo_dgemm2_ in libnwpwlib.a(DMatrix-mpi.o)
_tce_dgeev_ in libtce.a(tce_dgeev.o)
"_ylagtf_", referenced from:
_inv_it3 in libpeigs.a(inv_it3.o)
"_ylagts_", referenced from:
_inv_it3 in libpeigs.a(inv_it3.o)
"_ylange_", referenced from:
_ga_normf_ in libnwcutil.a(ga_normf.o)
_tce_dgeev_ in libtce.a(tce_dgeev.o)
"_ylarnv_", referenced from:
_clustrinv5_ in libpeigs.a(clustrxx5.o)
"_ylascl_", referenced from:
_tce_dgeev_ in libtce.a(tce_dgeev.o)
"_ylaset_", referenced from:
_rimp2_v_e2_ in librimp2.a(rimp2_v_e2.o)
_hf1prtoab_ in libnwints.a(hf1PRtoAB.o)
_hf2prtoab_ in libnwints.a(hf2PRtoAB.o)
_hf2qstocd_ in libnwints.a(hf2QStoCD.o)
_xf3ci_step12a_ in librimp2.a(xf3ci_s12a.o)
_xf3ci_step12b_ in librimp2.a(xf3ci_s12b.o)
_eval_3ci_block_ in librimp2.a(eval_3ci.o)
...
"_ynrm2_", referenced from:
_selci_analci_ in libselci.a(davids.o)
_tred2 in libpeigs.a(tred22.o)
_tce_dgeev_ in libtce.a(tce_dgeev.o)
_inv_it3 in libpeigs.a(inv_it3.o)
_mgs_3 in libpeigs.a(mgs5.o)
_mgscs in libpeigs.a(mgscs.o)
"_yorghr_", referenced from:
_tce_dgeev_ in libtce.a(tce_dgeev.o)
"_yrot_", referenced from:
_localizefb_ in libddscf.a(localize.o)
_localizepm_ in libddscf.a(localize.o)
_sdiag2_ in libnwints.a(big_service.o)
_tce_dgeev_ in libtce.a(tce_dgeev.o)
"_yscal_", referenced from:
_geom_binvr_ in libnwcutil.a(geom_hnd.o)
_geom_lattice_set_ in libnwcutil.a(geom.o)
_geom_amatrix_set_ in libnwcutil.a(geom.o)
_bq_input_load_ in libbq.a(bq_input.o)
_dplot_ in libdplot.a(dplot.o)
_geom_3d_amatrix_ in libnwcutil.a(geom_3d.o)
_geom_impose_constraints_ in libnwcutil.a(geom_input.o)
...
"_yspsvx_", referenced from:
_diis_bsolve_ in libnwdft.a(diis_bsolve.o)
_diis_bsolve_so_ in libnwdft.a(diis_bsolve_so.o)
"_ysterf_", referenced from:
_pstebz10_ in libpeigs.a(pstebz10.o)
"_yswap_", referenced from:
_dgedi_ in libvscf.a(vscf.o)
"_ysyev_", referenced from:
_geom_binvr_ in libnwcutil.a(geom_hnd.o)
_paw_cpmd_ in libpaw.a(paw_cpmd.o)
_paw_sd_ in libpaw.a(paw_sd.o)
_control_find_box_ in libnwpwlib.a(control.o)
_dneall_m_diagonalize_ in libnwpwlib.a(Dne.o)
_dneall_mne_diagonalize_ in libnwpwlib.a(Dne.o)
_mcscf_naturalorb_ in libmcscf.a(mcscf_aux.o)
...
"_ysygv_", referenced from:
_detci_dvddiag_ in libmcscf.a(detci_diag.o)
_pspw_rmmdiis_ in libpspw.a(pspw_rmmdiis.o)
"_ytrevc_", referenced from:
_tce_dgeev_ in libtce.a(tce_dgeev.o)
ld: symbol(s) not found for architecture x86_64
collect2: error: ld returned 1 exit status
make: *** [all] Error 1
the config.log files have last updated times long before the install failure, so they seem useless, so I've only uploaded the terminal output.
https://www.dropbox.com/s/dfs1wrb8jn8ixa9/nwchem_installog.rtf?dl=0
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