From fb56fc5da756043f485bef4f9cb899444a252fa5 Mon Sep 17 00:00:00 2001 From: edoapra Date: Mon, 16 Mar 2020 14:34:52 -0700 Subject: [PATCH] missing files with blas calls --- src/driver/GNUmakefile | 2 +- src/mcscf/GNUmakefile | 2 +- src/nwdft/lr_tddft/GNUmakefile | 2 +- src/nwdft/scf_dft/GNUmakefile | 2 +- src/nwdft/util/GNUmakefile | 2 +- src/nwdft/xc/GNUmakefile | 2 +- src/nwdft/zora/GNUmakefile | 2 +- src/property/GNUmakefile | 2 +- src/stepper/GNUmakefile | 2 +- 9 files changed, 9 insertions(+), 9 deletions(-) diff --git a/src/driver/GNUmakefile b/src/driver/GNUmakefile index 696c334a2a..9fd89ea945 100644 --- a/src/driver/GNUmakefile +++ b/src/driver/GNUmakefile @@ -8,7 +8,7 @@ OBJ_OPTIMIZE = driver_input.o OBJ = opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o socket_driver.o -USES_BLAS = opt_drv.F oniom.F lbfgs.F lbfgs-b.F lbfgs-b_driver.F +USES_BLAS = opt_drv.F oniom.F lbfgs.F lbfgs-b.F lbfgs-b_driver.F socket_driver.F include ../config/makefile.h include ../config/makelib.h diff --git a/src/mcscf/GNUmakefile b/src/mcscf/GNUmakefile index 05839b3f13..86fd1b3ea6 100644 --- a/src/mcscf/GNUmakefile +++ b/src/mcscf/GNUmakefile @@ -25,7 +25,7 @@ LIBRARY = libmcscf.a - USES_BLAS = hmat.F mcscf_aux.F mcscf_b.F mcscf_debug.F mcscf_fock.F mcscf_ohvmo.F mcscf_orb.F mcscf_prcnd.F + USES_BLAS = hmat.F mcscf_aux.F mcscf_b.F mcscf_debug.F mcscf_fock.F mcscf_ohvmo.F mcscf_orb.F mcscf_prcnd.F mcscf.F LIB_INCLUDES = -I../ddscf -I./detci diff --git a/src/nwdft/lr_tddft/GNUmakefile b/src/nwdft/lr_tddft/GNUmakefile index 247830ae54..bab4f46c82 100644 --- a/src/nwdft/lr_tddft/GNUmakefile +++ b/src/nwdft/lr_tddft/GNUmakefile @@ -12,7 +12,7 @@ OBJ_OPTIMIZE = LIBRARY = libnwdft.a -USES_BLAS = tddft_diagon.F tddft_transfm.F tddft_analysis.F tddft_restart.F +USES_BLAS = tddft_diagon.F tddft_transfm.F tddft_analysis.F tddft_restart.F tddft_civecs_phase.F LIB_DEFINES = -DDEBUG_PRINT # diff --git a/src/nwdft/scf_dft/GNUmakefile b/src/nwdft/scf_dft/GNUmakefile index 3a3994aa2e..e49cb03f88 100644 --- a/src/nwdft/scf_dft/GNUmakefile +++ b/src/nwdft/scf_dft/GNUmakefile @@ -48,7 +48,7 @@ LIB_INCLUDES = -I../include -I../grid - USES_BLAS = dft_mxovl.F diis_bld12.F diis_bsolve.F dft_densm.F dft_swapab.F dft_canorg.F cdft_util.F + USES_BLAS = dft_mxovl.F diis_bld12.F diis_bsolve.F dft_densm.F dft_swapab.F dft_canorg.F cdft_util.F dft_diagn.F dft_spinflip.F HEADERS = dftps.fh dft_fdist.fh dft_conv.fh diff --git a/src/nwdft/util/GNUmakefile b/src/nwdft/util/GNUmakefile index c2f9d2b983..59aaeddac1 100644 --- a/src/nwdft/util/GNUmakefile +++ b/src/nwdft/util/GNUmakefile @@ -28,7 +28,7 @@ LIB_INCLUDES = -I../include -USES_BLAS = ga_chol_seq.F ga_inv_seq.F +USES_BLAS = ga_chol_seq.F ga_inv_seq.F int_1e_fde.F include ../../config/makefile.h include ../../config/makelib.h diff --git a/src/nwdft/xc/GNUmakefile b/src/nwdft/xc/GNUmakefile index 9b9899f6f3..26e8f1f4a3 100644 --- a/src/nwdft/xc/GNUmakefile +++ b/src/nwdft/xc/GNUmakefile @@ -69,7 +69,7 @@ LIB_INCLUDES = -I../include xc_oep.F xc_sic_pert.F xc_sic.F localize_sic.F \ xc_eval_basis.F xc_eval_fnl.F xc_fd.F xc_optc.F xc_atomblock.F scat_mat.F \ xc_replicated.F xc_vdw_main.F xc_vdw_util.F\ - xc_3rd_deriv.F + xc_3rd_deriv.F xc_hcth.F ts_tf.F include ../../config/makefile.h include ../../config/makelib.h diff --git a/src/nwdft/zora/GNUmakefile b/src/nwdft/zora/GNUmakefile index 3e2363e46b..5d93b65837 100644 --- a/src/nwdft/zora/GNUmakefile +++ b/src/nwdft/zora/GNUmakefile @@ -36,7 +36,7 @@ LIB_INCLUDES = -I../include -I../grid - USES_BLAS = dft_zora_NMR.F dft_zora_EPR-NMR_tools.F zora_tabcd.F dft_zora_EPR.F dft_zora_Hyperfine.F zora_tabcd_EFG.F dft_zora_utils_so.F + USES_BLAS = dft_zora_NMR.F dft_zora_EPR-NMR_tools.F zora_tabcd.F dft_zora_EPR.F dft_zora_Hyperfine.F zora_tabcd_EFG.F dft_zora_utils_so.F zora_getv_HFine.F HEADERS = diff --git a/src/property/GNUmakefile b/src/property/GNUmakefile index d791a57626..e85f2e9bfb 100644 --- a/src/property/GNUmakefile +++ b/src/property/GNUmakefile @@ -89,7 +89,7 @@ USES_BLAS = hnd_elfcon.F wnbofile.F hnd_spinspin.F hnd_mtpole.F hnd_mulken.F \ hnd_elpmap.F hnd_elfmap.F hnd_mtpcon.F giaofock.F hnd_spinspin.F \ aoresponse_driver.F raman.F hnd_efgmap_z4.F hnd_gshift_zora.F \ wshldfile.F int_giao_1ega.F whypfile.F wefgfile.F aoresponse_driver_new.F \ - hnd_elfcon_symm.F wgshiftfile.F hnd_hyperfine_zora.F + hnd_elfcon_symm.F wgshiftfile.F hnd_hyperfine_zora.F hnd_eldmap_grid.F HEADERS = prop.fh atomdata.fh diff --git a/src/stepper/GNUmakefile b/src/stepper/GNUmakefile index dae21aee2c..30ffb03dac 100644 --- a/src/stepper/GNUmakefile +++ b/src/stepper/GNUmakefile @@ -21,7 +21,7 @@ LIBRARY = libstepper.a LIB_TARGETS = - USES_BLAS = stpr_driver.F stpr_mkstep.F stpr_partit.F stpr_gh_at.F + USES_BLAS = stpr_driver.F stpr_mkstep.F stpr_partit.F include ../config/makefile.h include ../config/makelib.h