diff --git a/makefile_refmac.inc1 b/makefile_refmac.inc1 index 80b199e..d3ab4c8 100644 --- a/makefile_refmac.inc1 +++ b/makefile_refmac.inc1 @@ -93,9 +93,7 @@ messy_pdb.o \ bridge.o \ i0.o \ i1.o \ -chbevl.o \ -$(LLIBCIF) \ -$(LLIBLAPACK) +chbevl.o SUBL = \ @@ -130,9 +128,7 @@ cell_symm_subrs.o \ iheap_sort.o \ linalgebra.o \ math_refmac.o \ -subnumrec.o \ -$(LLIBLAPACK) \ -$(LLIBCCP) +subnumrec.o SUB_FREE = \ freer_twin.o \ @@ -142,9 +138,7 @@ subnumrec.o \ libT.o \ iheap_sort.o \ cell_symm_subrs.o \ -math_refmac.o \ -$(LLIBLAPACK) \ -$(LLIBCCP) +math_refmac.o SUB_HEADER = header2matr.o #-------------------------------------------------------------------------------- @@ -179,32 +173,32 @@ rharvest_mod.o: rharvest_mod.f90 twin77mod.o: twin77mod.f $(FC) $(FFLAGS) -c twin77mod.f -max_with_twins.o: restr_files.f90 max_with_twins.f weights.f90 agreem.f90 - $(FC) $(FFLAGS) -c restr_files.f90 weights.f90 agreem.f90 max_with_twins.f +max_with_twins.o: restr_files.o max_with_twins.f + $(FC) $(FFLAGS) -c max_with_twins.f -merohedr_twin.o: restr_files.f90 merohedr_twin.f - $(FC) $(FFLAGS) -c restr_files.f90 merohedr_twin.f +merohedr_twin.o: restr_files.o merohedr_twin.f + $(FC) $(FFLAGS) -c merohedr_twin.f -ls_scaling_twin_save.o: restr_files.f90 ls_scaling_twin_save.f weights.f90 agreem.f90 - $(FC) $(FFLAGS) -c restr_files.f90 weights.f90 agreem.f90 ls_scaling_twin_save.f +ls_scaling_twin_save.o: restr_files.o ls_scaling_twin_save.f + $(FC) $(FFLAGS) -c ls_scaling_twin_save.f -ml_params_refine.o: restr_files.f90 ml_params_refine.f weights.f90 agreem.f90 - $(FC) $(FFLAGS) -c restr_files.f90 weights.f90 agreem.f90 ml_params_refine.f +ml_params_refine.o: restr_files.o ml_params_refine.f + $(FC) $(FFLAGS) -c ml_params_refine.f -optimise_solvent_all.o: optimise_solvent_all.f90 agreem.f90 - $(FC) $(FFLAGS) -c optimise_solvent_all.f90 agreem.f90 +optimise_solvent_all.o: optimise_solvent_all.f90 agreem.o + $(FC) $(FFLAGS) -c optimise_solvent_all.f90 -ncs_rest.o: restr_files.f90 ncs_ncs_generate.f90 ncs_rest.f weights.f90 - $(FC) $(FFLAGS) -c restr_files.f90 ncs_ncs_generate.f90 weights.f90 ncs_rest.f +ncs_rest.o: restr_files.o ncs_ncs_generate.o ncs_rest.f weights.o + $(FC) $(FFLAGS) -c ncs_rest.f -ncs_ncs_generate.o: ncs_ncs_generate.f90 align_refmac.f90 - $(FC) $(FFLAGS) -c ncs_ncs_generate.f90 align_refmac.f90 +ncs_ncs_generate.o: ncs_ncs_generate.f90 align_refmac.o + $(FC) $(FFLAGS) -c ncs_ncs_generate.f90 -lsq_exp2.o: restr_files.f90 dist_routines.f90 ncs_simil.f90 ridge.f90 local_tls.f90 lsq_exp2.f weights.f90 rharvest_mod.f90 - $(FC) $(FFLAGS) -c restr_files.f90 dist_routines.f90 ncs_simil.f90 ridge.f90 local_tls.f90 lsq_exp2.f weights.f90 rharvest_mod.f90 +lsq_exp2.o: restr_files.o dist_routines.o ncs_simil.o ridge.o local_tls.o lsq_exp2.f weights.o rharvest_mod.o + $(FC) $(FFLAGS) -c lsq_exp2.f -vdw_and_contacts.o: vdw_and_contacts.f local_tls.f90 ridge.f90 restr_files.f90 weights.f90 agreem.f90 - $(FC) $(FFLAGS) -c restr_files.f90 ridge.f90 local_tls.f90 weights.f90 agreem.f90 vdw_and_contacts.f +vdw_and_contacts.o: vdw_and_contacts.f local_tls.o ridge.o restr_files.o weights.o agreem.o + $(FC) $(FFLAGS) -c vdw_and_contacts.f dist_routines.o: dist_routines.f90 $(FC) $(FFLAGS) -c dist_routines.f90 @@ -218,140 +212,137 @@ ridge.o: ridge.f90 align_refmac.o: align_refmac.f90 $(FC) $(FFLAGS) -c align_refmac.f90 -rigid_allocate.o: restr_files.f90 rigid_allocate.f agreem.f90 - $(FC) $(FFLAGS) -c restr_files.f90 agreem.f90 rigid_allocate.f - -tls_allocate.o: restr_files.f90 tls_allocate.f weights.f90 agreem.f90 - $(FC) $(FFLAGS) -c restr_files.f90 weights.f90 agreem.f90 tls_allocate.f +rigid_allocate.o: restr_files.o rigid_allocate.f agreem.o + $(FC) $(FFLAGS) -c rigid_allocate.f -hkon_secder_tch.o: hkon_secder_tch.f local_tls.f90 ncs_simil.f90 optimise_solvent_all.f90 \ - restr_files.f90 weights.f90 agreem.f90 rharvest.f - $(FC) $(FFLAGS) -c restr_files.f90 optimise_solvent_all.f90 ncs_simil.f90 local_tls.f90 \ - hkon_secder_tch.f weights.f90 agreem.f90 rharvest.f +tls_allocate.o: restr_files.o tls_allocate.f weights.o agreem.o + $(FC) $(FFLAGS) -c tls_allocate.f -oppro_allocate.o: oppro_allocate.f filter_params.f90 optimise_solvent_all.f90 restr_files.f90 weights.f90 - $(FC) $(FFLAGS) -c restr_files.f90 optimise_solvent_all.f90 filter_params.f90 weights.f90 oppro_allocate.f +hkon_secder_tch.o: hkon_secder_tch.f local_tls.o ncs_simil.o optimise_solvent_all.o \ + restr_files.o weights.o agreem.o rharvest.f + $(FC) $(FFLAGS) -c hkon_secder_tch.f -read_extra_restraints.o: restr_files.f90 read_extra_restraints.f weights.f90 - $(FC) $(FFLAGS) -c restr_files.f90 weights.f90 read_extra_restraints.f +oppro_allocate.o: oppro_allocate.f filter_params.o optimise_solvent_all.o restr_files.o weights.o + $(FC) $(FFLAGS) -c oppro_allocate.f -coords.o: coords.f90 atomf77mod.f - $(FC) $(FFLAGS) -c atomf77mod.f coords.f90 +read_extra_restraints.o: restr_files.o read_extra_restraints.f weights.o + $(FC) $(FFLAGS) -c read_extra_restraints.f +coords.o: coords.f90 atomf77mod.o + $(FC) $(FFLAGS) -c coords.f90 -ls_scaling_double.o: ls_scaling_double.f weights.f90 agreem.f90 - $(FC) $(FFLAGS) -c ls_scaling_double.f weights.f90 agreem.f90 -fast_hessian_tabulation.o: fast_hessian_tabulation.f weights.f90 - $(FC) $(FFLAGS) -c fast_hessian_tabulation.f weights.f90 +ls_scaling_double.o: ls_scaling_double.f weights.o agreem.o + $(FC) $(FFLAGS) -c ls_scaling_double.f -calc_stats_twin.o: calc_stats_twin.f weights.f90 agreem.f90 rharvest_mod.f90 - $(FC) $(FFLAGS) -c calc_stats_twin.f weights.f90 agreem.f90 rharvest_mod.f90 +fast_hessian_tabulation.o: fast_hessian_tabulation.f weights.o + $(FC) $(FFLAGS) -c fast_hessian_tabulation.f -refpre_twin.o: refpre_twin.f coords.f90 automorphism.f90 restr_files.f90 weights.f90 agreem.f90 rharvest_mod.f90 - $(FC) $(FFLAGS) -c restr_files.f90 coords.f90 automorphism.f90 weights.f90 agreem.f90 rharvest_mod.f90 refpre_twin.f +calc_stats_twin.o: calc_stats_twin.f weights.o agreem.o rharvest_mod.o + $(FC) $(FFLAGS) -c calc_stats_twin.f +refpre_twin.o: refpre_twin.f coords.o automorphism.o restr_files.o weights.o agreem.o rharvest_mod.o + $(FC) $(FFLAGS) -c refpre_twin.f -decide_twin_opers_0.o: restr_files.f90 decide_twin_opers_0.f - $(FC) $(FFLAGS) -c restr_files.f90 decide_twin_opers_0.f +decide_twin_opers_0.o: restr_files.o decide_twin_opers_0.f + $(FC) $(FFLAGS) -c decide_twin_opers_0.f automorphism.o: automorphism.f90 $(FC) $(FFLAGS) -c automorphism.f90 -mtz_write_twin.o: mtz_write_twin.f filter_params.f90 restr_files.f90 weights.f90 agreem.f90 - $(FC) $(FFLAGS) -c restr_files.f90 filter_params.f90 weights.f90 agreem.f90 mtz_write_twin.f +mtz_write_twin.o: mtz_write_twin.f filter_params.o restr_files.o weights.o agreem.o + $(FC) $(FFLAGS) -c mtz_write_twin.f filter_params.o: filter_params.f90 $(FC) $(FFLAGS) -c filter_params.f90 -rcard_tor1.o: rcard_tor1.f filter_params.f90 local_tls.f90 ridge.f90 optimise_solvent_all.f90 restr_files.f90 weights.f90 \ - agreem.f90 rharvest_mod.f90 ncs_constr.f90 - $(FC) $(FFLAGS) -c restr_files.f90 optimise_solvent_all.f90 filter_params.f90 local_tls.f90 ridge.f90 weights.f90 \ - agreem.f90 rharvest_mod.f90 ncs_constr.f90 rcard_tor1.f +rcard_tor1.o: rcard_tor1.f filter_params.o local_tls.o ridge.o optimise_solvent_all.o restr_files.o weights.o \ + agreem.o rharvest_mod.o ncs_constr.o + $(FC) $(FFLAGS) -c rcard_tor1.f -inout_routines.o: restr_files.f90 inout_routines.f - $(FC) $(FFLAGS) -c restr_files.f90 inout_routines.f +inout_routines.o: restr_files.o inout_routines.f + $(FC) $(FFLAGS) -c inout_routines.f -local_tls.o: local_tls.f90 linalgebra_f90.f90 - $(FC) $(FFLAGS) -c linalgebra_f90.f90 local_tls.f90 +local_tls.o: local_tls.f90 linalgebra_f90.o + $(FC) $(FFLAGS) -c local_tls.f90 linalgebra_f90.o: linalgebra_f90.f90 $(FC) $(FFLAGS) -c linalgebra_f90.f90 -make_refmac_dummy.o: make_refmac_dummy.f optimise_solvent_all.f90 weights.f90 agreem.f90 rharvest_mod.f90 - $(FC) $(FFLAGS) -c weights.f90 agreem.f90 rharvest_mod.f90 optimise_solvent_all.f90 make_refmac_dummy.f +make_refmac_dummy.o: make_refmac_dummy.f optimise_solvent_all.o weights.o agreem.o rharvest_mod.o + $(FC) $(FFLAGS) -c make_refmac_dummy.f -ml_scaling_double.o: ml_scaling_double.f optimise_solvent_all.f90 weights.f90 agreem.f90 rharvest_mod.f90 - $(FC) $(FFLAGS) -c optimise_solvent_all.f90 weights.f90 agreem.f90 rharvest_mod.f90 ml_scaling_double.f +ml_scaling_double.o: ml_scaling_double.f optimise_solvent_all.o weights.o agreem.o rharvest_mod.o + $(FC) $(FFLAGS) -c ml_scaling_double.f -refall_twin.o: refall_twin.f optimise_solvent_all.f90 restr_files.f90 weights.f90 agreem.f90 rharvest_mod.f90 - $(FC) $(FFLAGS) -c restr_files.f90 optimise_solvent_all.f90 weights.f90 agreem.f90 rharvest_mod.f90 refall_twin.f +refall_twin.o: refall_twin.f optimise_solvent_all.o restr_files.f90 weights.o agreem.o rharvest_mod.o + $(FC) $(FFLAGS) -c refall_twin.f -rharvest.o: rharvest.f optimise_solvent_all.f90 weights.f90 agreem.f90 rharvest_mod.f90 - $(FC) $(FFLAGS) -c optimise_solvent_all.f90 weights.f90 agreem.f90 rharvest_mod.f90 rharvest.f +rharvest.o: rharvest.f optimise_solvent_all.o weights.o agreem.o rharvest_mod.o + $(FC) $(FFLAGS) -c rharvest.f -solvent_contr_mask.o: solvent_contr_mask.f optimise_solvent_all.f90 weights.f90 agreem.f90 rharvest_mod.f90 ncs_constr.f90 - $(FC) $(FFLAGS) -c optimise_solvent_all.f90 weights.f90 agreem.f90 rharvest_mod.f90 ncs_constr.f90 solvent_contr_mask.f +solvent_contr_mask.o: solvent_contr_mask.f optimise_solvent_all.o weights.o agreem.o rharvest_mod.o ncs_constr.o + $(FC) $(FFLAGS) -c solvent_contr_mask.f -subag_scale_hessian.o: subag_scale_hessian.f optimise_solvent_all.f90 restr_files.f90 weights.f90 agreem.f90 rharvest_mod.f90 ncs_constr.f90 - $(FC) $(FFLAGS) -c restr_files.f90 optimise_solvent_all.f90 weights.f90 agreem.f90 rharvest_mod.f90 ncs_constr.f90 subag_scale_hessian.f +subag_scale_hessian.o: subag_scale_hessian.f optimise_solvent_all.o restr_files.o weights.o agreem.o rharvest_mod.o ncs_constr.o + $(FC) $(FFLAGS) -c subag_scale_hessian.f -aniso_ref_eigen.o: aniso_ref_eigen.f ncs_constr.f90 - $(FC) $(FFLAGS) -c ncs_constr.f90 aniso_ref_eigen.f +aniso_ref_eigen.o: aniso_ref_eigen.f ncs_constr.o + $(FC) $(FFLAGS) -c aniso_ref_eigen.f -subcf_scale1.o: subcf_scale1.f optimise_solvent_all.f90 weights.f90 agreem.f90 rharvest_mod.f90 - $(FC) $(FFLAGS) -c optimise_solvent_all.f90 weights.f90 agreem.f90 rharvest_mod.f90 subcf_scale1.f +subcf_scale1.o: subcf_scale1.f optimise_solvent_all.o weights.o agreem.o rharvest_mod.o + $(FC) $(FFLAGS) -c subcf_scale1.f -bvalue_routines.o: bvalue_routines.f90 restr_files.f90 atomf77mod.f - $(FC) $(FFLAGS) -c restr_files.f90 atomf77mod.f bvalue_routines.f90 +bvalue_routines.o: bvalue_routines.f90 restr_files.o atomf77mod.o + $(FC) $(FFLAGS) -c bvalue_routines.f90 -newentry_idealise.o:: newentry_idealise.f weights.f90 - $(FC) $(FFLAGS) -c newentry_idealise.f weights.f90 +newentry_idealise.o:: newentry_idealise.f weights.o + $(FC) $(FFLAGS) -c newentry_idealise.f -occupancy_only_refine.o: occupancy_only_refine.f agreem.f90 rharvest_mod.f90 - $(FC) $(FFLAGS) -c occupancy_only_refine.f agreem.f90 rharvest_mod.f90 +occupancy_only_refine.o: occupancy_only_refine.f agreem.o rharvest_mod.o + $(FC) $(FFLAGS) -c occupancy_only_refine.f -refmac_completeness.o: weights.f90 agreem.f90 rharvest_mod.f90 refmac_completeness.f90 - $(FC) $(FFLAGS) -c weights.f90 agreem.f90 rharvest_mod.f90 refmac_completeness.f90 +refmac_completeness.o: weights.o agreem.o rharvest_mod.o refmac_completeness.f90 + $(FC) $(FFLAGS) -c refmac_completeness.f90 -refmac_xml.o: refmac_xml.f optimise_solvent_all.f90 restr_files.f90 bvalue_routines.f90 weights.f90 agreem.f90 rharvest_mod.f90 - $(FC) $(FFLAGS) -c bvalue_routines.f90 restr_files.f90 optimise_solvent_all.f90 weights.f90 agreem.f90 rharvest_mod.f90 refmac_xml.f +refmac_xml.o: refmac_xml.f optimise_solvent_all.o restr_files.o bvalue_routines.o weights.o agreem.o rharvest_mod.o + $(FC) $(FFLAGS) -c refmac_xml.f hkl_pack.o: hkl_pack.f90 $(FC) $(FFLAGS) -c hkl_pack.f90 -extra_eigen.o: extra_eigen.f agreem.f90 ncs_constr.f90 - $(FC) $(FFLAGS) -c extra_eigen.f agreem.f90 ncs_constr.f90 +extra_eigen.o: extra_eigen.f agreem.o ncs_constr.o + $(FC) $(FFLAGS) -c extra_eigen.f -subvag.o: subvag.f hkl_pack.f90 +subvag.o: subvag.f hkl_pack.o $(FC) $(FFLAGS) -c hkl_pack.f90 subvag.f -make_PDB.o: make_PDB.f ncs_constr.f90 - $(FC) $(FFLAGS) -c ncs_constr.f90 make_PDB.f +make_PDB.o: make_PDB.f ncs_constr.o + $(FC) $(FFLAGS) -c make_PDB.f make_CIF.o: make_CIF.f ncs_constr.f90 - $(FC) $(FFLAGS) -c ncs_constr.f90 make_CIF.f + $(FC) $(FFLAGS) -c make_CIF.f refmac: $(SUBR) - $(FC) $(FFLAGS) -o refmac${VERSION} ${SUBR} $(LLIBOTHERS) $(LLIBCCP) + $(FC) $(FFLAGS) $(LDFLAGS) -o refmac${VERSION} ${SUBR} $(LLIBOTHERS) $(LLIBCCP) $(LLIBCIF) $(LLIBLAPACK) -mol2_file.o: mol2_file.f odb_files.f90 - $(FC) $(FFLAGS) -c odb_files.f90 mol2_file.f +mol2_file.o: mol2_file.f odb_files.o + $(FC) $(FFLAGS) -c mol2_file.f -odb_files.o: odb_files.f90 elements_module.f90 enerf77mod.f - $(FC) $(FFLAGS) -c elements_module.f90 enerf77mod.f odb_files.f90 +odb_files.o: odb_files.f90 elements_module.o enerf77mod.o + $(FC) $(FFLAGS) -c odb_files.f90 elements_module.o: elements_module.f90 $(FC) $(FFLAGS) -c elements_module.f90 -make_lib2.o: make_lib2.f odb_files.f90 - $(FC) $(FFLAGS) -c odb_files.f90 make_lib2.f +make_lib2.o: make_lib2.f odb_files.o + $(FC) $(FFLAGS) -c make_lib2.f pdb2libcheck.o: pdb2libcheck.f90 $(FC) $(FFLAGS) -c pdb2libcheck.f90 -libcheck.o: libcheck.f elements_module.f90 pdb2libcheck.f90 - $(FC) $(FFLAGS) -c elements_module.f90 pdb2libcheck.f90 libcheck.f +libcheck.o: libcheck.f elements_module.o pdb2libcheck.o + $(FC) $(FFLAGS) -c libcheck.f header2matr.o: header2matr.f90 $(FC) $(FFLAGS) -c header2matr.f90 @@ -360,16 +351,17 @@ freer_twin.o: freer_twin.f90 $(FC) $(FFLAGS) -c freer_twin.f90 libcheck: $(SUBL) - $(FC) $(FFLAGS) -o libcheck${VERSION} $(SUBL) + $(FC) $(FFLAGS) $(LDFLAGS) -o libcheck${VERSION} $(SUBL) $(LLIBCCP) $(LLIBCIF) $(LLIBLAPACK) free_twin: $(SUB_FREE) - $(FC) $(FFLAGS) -o FreeTwin${VERSION} $(SUB_FREE) + $(FC) $(FFLAGS) $(LDFLAGS) -o FreeTwin${VERSION} $(SUB_FREE) $(LLIBCCP) $(LLIBLAPACK) header2matr: $(SUB_HEADER) - $(FC) $(FFLAGS) -o header2matr${VERSION} $(SUB_HEADER) + $(FC) $(FFLAGS) $(LDFLAGS) -o header2matr${VERSION} $(SUB_HEADER) clean: /bin/rm *.o *.mod bridge.o: bridge.cpp llhood.h covmat.h Gauss.h tabfunc.h + $(CXX) $(CXXFLAGS) -c bridge.cpp