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ye-luoye-luo
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Move custom targets to individual components.
1 parent bcbb978 commit 10dda1a

16 files changed

+161
-156
lines changed

‎CMakeLists.txt

+4-155
Original file line numberDiff line numberDiff line change
@@ -672,88 +672,11 @@ add_custom_target(depgraph
672672

673673
###########################################################
674674
# Custom make targets
675+
# The collection 'pwall' is defined here
676+
# Each of the followings is defined inside its subdirectory
677+
# pw ph pp hp pwcond neb cp tddfpt gwl ld1 upf epw
678+
# xspectra couple all_currents
675679
###########################################################
676-
add_custom_target(pw
677-
DEPENDS
678-
qe_pw_exe
679-
qe_pw_tools_ibrav2cell_exe
680-
qe_pw_tools_cell2ibrav_exe
681-
qe_pw_tools_ev_exe
682-
qe_pw_tools_kpoints_exe
683-
qe_pw_tools_pwi2xsf_exe
684-
COMMENT
685-
"basic code for scf, structure optimization, MD")
686-
687-
add_custom_target(ph
688-
DEPENDS
689-
qe_phonon_ph_exe
690-
qe_phonon_dynmat_exe
691-
qe_phonon_q2r_exe
692-
qe_phonon_dvscf_q2r_exe
693-
qe_phonon_matdyn_exe
694-
qe_phonon_q2qstar_exe
695-
qe_phonon_lambda_exe
696-
qe_phonon_alpha2f_exe
697-
qe_phonon_epa_exe
698-
qe_phonon_fqha_exe
699-
qe_phonon_fd_exe
700-
qe_phonon_fdef_exe
701-
qe_phonon_fdifc_exe
702-
qe_phonon_postahc_exe
703-
COMMENT
704-
"phonon code, Gamma-only and third-order derivatives")
705-
706-
add_custom_target(hp
707-
DEPENDS
708-
qe_hp_exe
709-
COMMENT
710-
"calculation of the Hubbard parameters from DFPT")
711-
712-
add_custom_target(pwcond
713-
DEPENDS
714-
qe_pwcond_exe
715-
COMMENT
716-
"ballistic conductance")
717-
718-
add_custom_target(neb
719-
DEPENDS
720-
qe_neb_exe
721-
qe_neb_pathinterpolation_exe
722-
COMMENT
723-
"code for Nudged Elastic Band method")
724-
725-
add_custom_target(pp
726-
DEPENDS
727-
qe_pp_exe
728-
qe_pp_opengrid_exe
729-
qe_pp_average_exe
730-
qe_pp_bands_exe
731-
qe_pp_dos_exe
732-
qe_pp_pawplot_exe
733-
qe_pp_planavg_exe
734-
qe_pp_plotband_exe
735-
qe_pp_plotproj_exe
736-
qe_pp_plotrho_exe
737-
qe_pp_pmw_exe
738-
qe_pp_projwfc_exe
739-
qe_pp_pw2wannier90_exe
740-
qe_pp_pw2critic_exe
741-
qe_pp_wfck2r_exe
742-
qe_pp_initial_state_exe
743-
qe_pp_pw2gw_exe
744-
qe_pp_sumpdos_exe
745-
qe_pp_epsilon_exe
746-
qe_pp_wannierham_exe
747-
qe_pp_wannierplot_exe
748-
qe_pp_molecularpdos_exe
749-
qe_pp_pw2bgw_exe
750-
qe_pp_fermivelocity_exe
751-
qe_pp_fermisurface_exe
752-
qe_pp_fermiproj_exe
753-
qe_pp_ppacf_exe
754-
COMMENT
755-
"postprocessing programs")
756-
757680
add_custom_target(pwall
758681
DEPENDS
759682
pw
@@ -763,77 +686,3 @@ add_custom_target(pwall
763686
neb
764687
COMMENT
765688
"same as \"make pw ph pp pwcond neb\"")
766-
767-
add_custom_target(cp
768-
DEPENDS
769-
qe_cpv_exe
770-
qe_cpv_manycp_exe
771-
qe_cpv_cppp_exe
772-
qe_cpv_wfdd_exe
773-
COMMENT
774-
"CP code: Car-Parrinello molecular dynamics")
775-
776-
add_custom_target(tddfpt
777-
DEPENDS
778-
qe_tddfpt_turbolanczos_exe
779-
qe_tddfpt_turbodavidson_exe
780-
qe_tddfpt_turboeels_exe
781-
qe_tddfpt_turbospectrum_exe
782-
qe_tddfpt_turbomagnons_exe
783-
COMMENT
784-
"time dependent dft code")
785-
786-
add_custom_target(gwl
787-
DEPENDS
788-
qe_gww_util_grap_exe
789-
qe_gww_util_abcoefftoeps_exe
790-
qe_gww_util_memorypw4gww_exe
791-
qe_gww_bse_bse_main_exe
792-
qe_gww_gww_exe
793-
qe_gww_gww_fit_exe
794-
qe_gww_head_exe
795-
qe_gww_simple_bse_exe
796-
qe_gww_simple_ip_exe
797-
COMMENT
798-
"GW with Lanczos chains")
799-
800-
add_custom_target(ld1
801-
DEPENDS
802-
qe_atomic_exe
803-
COMMENT
804-
"utilities for pseudopotential generation")
805-
806-
add_custom_target(upf
807-
DEPENDS
808-
#Library
809-
qe_upflib
810-
#Executables
811-
qe_upflib_virtual_v2_exe
812-
qe_upflib_upfconv_exe
813-
COMMENT
814-
"utilities for pseudopotential conversion")
815-
816-
add_custom_target(xspectra
817-
DEPENDS
818-
qe_xspectra_exe
819-
qe_xspectra_spectracorrection_exe
820-
qe_xspectra_molecularnexafs_exe
821-
COMMENT
822-
"X-ray core-hole spectroscopy calculations")
823-
824-
add_custom_target(couple
825-
DEPENDS
826-
qe_couple
827-
COMMENT
828-
"library interface for coupling to external codes")
829-
830-
add_custom_target(epw
831-
DEPENDS
832-
qe_epw_exe
833-
COMMENT
834-
"electron-Phonon Coupling with wannier functions")
835-
add_custom_target(all_currents
836-
DEPENDS
837-
qe_qeheat_exe
838-
COMMENT
839-
"QEHeat code to compute energy and electronic density currents")

‎COUPLE/CMakeLists.txt

+7-1
Original file line numberDiff line numberDiff line change
@@ -14,4 +14,10 @@ target_link_libraries(qe_couple
1414

1515
###########################################################
1616

17-
qe_install_targets(qe_couple)
17+
qe_install_targets(qe_couple)
18+
19+
add_custom_target(couple
20+
DEPENDS
21+
qe_couple
22+
COMMENT
23+
"library interface for coupling to external codes")

‎CPV/CMakeLists.txt

+9
Original file line numberDiff line numberDiff line change
@@ -191,3 +191,12 @@ qe_install_targets(
191191
qe_cpv_manycp_exe
192192
qe_cpv_cppp_exe
193193
qe_cpv_wfdd_exe)
194+
195+
add_custom_target(cp
196+
DEPENDS
197+
qe_cpv_exe
198+
qe_cpv_manycp_exe
199+
qe_cpv_cppp_exe
200+
qe_cpv_wfdd_exe
201+
COMMENT
202+
"CP code: Car-Parrinello molecular dynamics")

‎EPW/CMakeLists.txt

+6
Original file line numberDiff line numberDiff line change
@@ -133,3 +133,9 @@ qe_install_targets(
133133
qe_epw_exe qe_zg_exe qe_zg_disca_exe qe_zg_pp_disca_exe qe_zg_bands_unfold_exe qe_zg_pp_spctrlfn_exe qe_zg_epsilon_Gaus_exe)
134134

135135
install(PROGRAMS bin/pp.py TYPE BIN RENAME epw_pp.py)
136+
137+
add_custom_target(epw
138+
DEPENDS
139+
qe_epw_exe
140+
COMMENT
141+
"electron-Phonon Coupling with wannier functions")

‎GWW/CMakeLists.txt

+14
Original file line numberDiff line numberDiff line change
@@ -426,3 +426,17 @@ qe_install_targets(
426426
qe_gww_simple_exe
427427
qe_gww_simple_bse_exe
428428
qe_gww_simple_ip_exe)
429+
430+
add_custom_target(gwl
431+
DEPENDS
432+
qe_gww_util_grap_exe
433+
qe_gww_util_abcoefftoeps_exe
434+
qe_gww_util_memorypw4gww_exe
435+
qe_gww_bse_bse_main_exe
436+
qe_gww_gww_exe
437+
qe_gww_gww_fit_exe
438+
qe_gww_head_exe
439+
qe_gww_simple_bse_exe
440+
qe_gww_simple_ip_exe
441+
COMMENT
442+
"GW with Lanczos chains")

‎HP/CMakeLists.txt

+6
Original file line numberDiff line numberDiff line change
@@ -74,3 +74,9 @@ target_link_libraries(qe_hp_exe
7474
qe_install_targets(
7575
qe_hp
7676
qe_hp_exe)
77+
78+
add_custom_target(hp
79+
DEPENDS
80+
qe_hp_exe
81+
COMMENT
82+
"calculation of the Hubbard parameters from DFPT")

‎NEB/CMakeLists.txt

+7
Original file line numberDiff line numberDiff line change
@@ -73,3 +73,10 @@ qe_install_targets(
7373
# Executables
7474
qe_neb_exe
7575
qe_neb_pathinterpolation_exe)
76+
77+
add_custom_target(neb
78+
DEPENDS
79+
qe_neb_exe
80+
qe_neb_pathinterpolation_exe
81+
COMMENT
82+
"code for Nudged Elastic Band method")

‎PHonon/CMakeLists.txt

+19
Original file line numberDiff line numberDiff line change
@@ -471,3 +471,22 @@ qe_install_targets(
471471
qe_phonon_fdef_exe
472472
qe_phonon_fdifc_exe
473473
qe_phonon_postahc_exe)
474+
475+
add_custom_target(ph
476+
DEPENDS
477+
qe_phonon_ph_exe
478+
qe_phonon_dynmat_exe
479+
qe_phonon_q2r_exe
480+
qe_phonon_dvscf_q2r_exe
481+
qe_phonon_matdyn_exe
482+
qe_phonon_q2qstar_exe
483+
qe_phonon_lambda_exe
484+
qe_phonon_alpha2f_exe
485+
qe_phonon_epa_exe
486+
qe_phonon_fqha_exe
487+
qe_phonon_fd_exe
488+
qe_phonon_fdef_exe
489+
qe_phonon_fdifc_exe
490+
qe_phonon_postahc_exe
491+
COMMENT
492+
"phonon code, Gamma-only and third-order derivatives")

‎PP/CMakeLists.txt

+32
Original file line numberDiff line numberDiff line change
@@ -531,3 +531,35 @@ qe_install_targets(
531531
qe_pp_st_dos_exe
532532
qe_pp_st_fermiint0_exe
533533
qe_pp_st_fermiint1_exe)
534+
535+
add_custom_target(pp
536+
DEPENDS
537+
qe_pp_exe
538+
qe_pp_opengrid_exe
539+
qe_pp_average_exe
540+
qe_pp_bands_exe
541+
qe_pp_dos_exe
542+
qe_pp_pawplot_exe
543+
qe_pp_planavg_exe
544+
qe_pp_plotband_exe
545+
qe_pp_plotproj_exe
546+
qe_pp_plotrho_exe
547+
qe_pp_pmw_exe
548+
qe_pp_projwfc_exe
549+
qe_pp_pw2wannier90_exe
550+
qe_pp_pw2critic_exe
551+
qe_pp_wfck2r_exe
552+
qe_pp_initial_state_exe
553+
qe_pp_pw2gw_exe
554+
qe_pp_sumpdos_exe
555+
qe_pp_epsilon_exe
556+
qe_pp_wannierham_exe
557+
qe_pp_wannierplot_exe
558+
qe_pp_molecularpdos_exe
559+
qe_pp_pw2bgw_exe
560+
qe_pp_fermivelocity_exe
561+
qe_pp_fermisurface_exe
562+
qe_pp_fermiproj_exe
563+
qe_pp_ppacf_exe
564+
COMMENT
565+
"postprocessing programs")

‎PW/CMakeLists.txt

+11
Original file line numberDiff line numberDiff line change
@@ -431,3 +431,14 @@ qe_install_targets(
431431
qe_pw_tools_kpoints_exe
432432
qe_pw_tools_pwi2xsf_exe
433433
qe_pw_tools_scan_ibrav_exe)
434+
435+
add_custom_target(pw
436+
DEPENDS
437+
qe_pw_exe
438+
qe_pw_tools_ibrav2cell_exe
439+
qe_pw_tools_cell2ibrav_exe
440+
qe_pw_tools_ev_exe
441+
qe_pw_tools_kpoints_exe
442+
qe_pw_tools_pwi2xsf_exe
443+
COMMENT
444+
"basic code for scf, structure optimization, MD")

‎PWCOND/CMakeLists.txt

+6
Original file line numberDiff line numberDiff line change
@@ -55,3 +55,9 @@ target_link_libraries(qe_pwcond_exe
5555
###########################################################
5656

5757
qe_install_targets(qe_pwcond_exe)
58+
59+
add_custom_target(pwcond
60+
DEPENDS
61+
qe_pwcond_exe
62+
COMMENT
63+
"ballistic conductance")

‎QEHeat/CMakeLists.txt

+6
Original file line numberDiff line numberDiff line change
@@ -52,3 +52,9 @@ target_link_libraries(qe_qeheat_exe
5252
qe_install_targets(
5353
qe_qeheat_exe
5454
)
55+
56+
add_custom_target(all_currents
57+
DEPENDS
58+
qe_qeheat_exe
59+
COMMENT
60+
"QEHeat code to compute energy and electronic density currents")

‎TDDFPT/CMakeLists.txt

+10
Original file line numberDiff line numberDiff line change
@@ -167,3 +167,13 @@ qe_install_targets(
167167
qe_tddfpt_turboeels_exe
168168
qe_tddfpt_turbomagnons_exe
169169
qe_tddfpt_turbospectrum_exe)
170+
171+
add_custom_target(tddfpt
172+
DEPENDS
173+
qe_tddfpt_turbolanczos_exe
174+
qe_tddfpt_turbodavidson_exe
175+
qe_tddfpt_turboeels_exe
176+
qe_tddfpt_turbospectrum_exe
177+
qe_tddfpt_turbomagnons_exe
178+
COMMENT
179+
"time dependent dft code")

‎XSpectra/CMakeLists.txt

+8
Original file line numberDiff line numberDiff line change
@@ -103,3 +103,11 @@ qe_install_targets(
103103
qe_xspectra_exe
104104
qe_xspectra_spectracorrection_exe
105105
qe_xspectra_molecularnexafs_exe)
106+
107+
add_custom_target(xspectra
108+
DEPENDS
109+
qe_xspectra_exe
110+
qe_xspectra_spectracorrection_exe
111+
qe_xspectra_molecularnexafs_exe
112+
COMMENT
113+
"X-ray core-hole spectroscopy calculations")

‎atomic/CMakeLists.txt

+6
Original file line numberDiff line numberDiff line change
@@ -122,3 +122,9 @@ target_link_libraries(qe_atomic_exe
122122
qe_install_targets(
123123
qe_atomic
124124
qe_atomic_exe)
125+
126+
add_custom_target(ld1
127+
DEPENDS
128+
qe_atomic_exe
129+
COMMENT
130+
"utilities for pseudopotential generation")

‎upflib/CMakeLists.txt

+10
Original file line numberDiff line numberDiff line change
@@ -125,3 +125,13 @@ qe_install_targets(qe_upflib
125125
qe_upflib_upfconv_exe
126126
qe_upflib_casino2upf_exe
127127
qe_upflib_hgh2qe_exe)
128+
129+
add_custom_target(upf
130+
DEPENDS
131+
#Library
132+
qe_upflib
133+
#Executables
134+
qe_upflib_virtual_v2_exe
135+
qe_upflib_upfconv_exe
136+
COMMENT
137+
"utilities for pseudopotential conversion")

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