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missing files with blas calls

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edoapra 2020-03-16 14:34:52 -07:00
parent 3da85da425
commit fb56fc5da7
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GPG key ID: 48E12DA1EDE9E1B0
9 changed files with 9 additions and 9 deletions
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2
src/driver/GNUmakefile
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@ -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

2
src/mcscf/GNUmakefile
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@ -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

2
src/nwdft/lr_tddft/GNUmakefile
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@ -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
#

2
src/nwdft/scf_dft/GNUmakefile
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@ -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

2
src/nwdft/util/GNUmakefile
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@ -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

2
src/nwdft/xc/GNUmakefile
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@ -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

2
src/nwdft/zora/GNUmakefile
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@ -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 =

2
src/property/GNUmakefile
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@ -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

2
src/stepper/GNUmakefile
View file

@ -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