diff options
Diffstat (limited to 'sci-chemistry/refmac/files/5.6.0086-allow-dynamic-linking.patch')
| -rw-r--r-- | sci-chemistry/refmac/files/5.6.0086-allow-dynamic-linking.patch | 241 |
1 files changed, 241 insertions, 0 deletions
diff --git a/sci-chemistry/refmac/files/5.6.0086-allow-dynamic-linking.patch b/sci-chemistry/refmac/files/5.6.0086-allow-dynamic-linking.patch new file mode 100644 index 000000000000..2134cc63ec67 --- /dev/null +++ b/sci-chemistry/refmac/files/5.6.0086-allow-dynamic-linking.patch @@ -0,0 +1,241 @@ +diff --git a/makefile_refmac.inc1 b/makefile_refmac.inc1 +index 5263df1..6b96e5e 100644 +--- a/makefile_refmac.inc1 ++++ b/makefile_refmac.inc1 +@@ -90,9 +90,7 @@ messy_pdb.o \ + bridge.o \ + i0.o \ + i1.o \ +-chbevl.o \ +-$(LLIBCIF) \ +-$(LLIBLAPACK) ++chbevl.o + + + SUBL = \ +@@ -126,9 +124,7 @@ cell_symm_subrs.o \ + iheap_sort.o \ + linalgebra.o \ + math_refmac.o \ +-subnumrec.o \ +-$(LLIBLAPACK) \ +-$(LLIBCCP) ++subnumrec.o + + #-------------------------------------------------------------------------------- + +@@ -153,33 +149,32 @@ rharvest77mod.o: rharvest77mod.f + twin77mod.o: twin77mod.f + $(FC) $(FFLAGS) -c twin77mod.f + ++max_with_twins.o: restr_files.o max_with_twins.f ++ $(FC) $(FFLAGS) -c max_with_twins.f + +-max_with_twins.o: restr_files.f90 max_with_twins.f +- $(FC) $(FFLAGS) -c restr_files.f90 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 +- $(FC) $(FFLAGS) -c restr_files.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 +- $(FC) $(FFLAGS) -c restr_files.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 ++optimise_solvent_all.o: optimise_solvent_all.f90 atomf77mod.o + $(FC) $(FFLAGS) -c optimise_solvent_all.f90 + +-ncs_rest.o: restr_files.f90 ncs_ncs_generate.f90 ncs_rest.f +- $(FC) $(FFLAGS) -c restr_files.f90 ncs_ncs_generate.f90 ncs_rest.f ++ncs_rest.o: restr_files.o ncs_ncs_generate.o ncs_rest.f ++ $(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 +- $(FC) $(FFLAGS) -c restr_files.f90 dist_routines.f90 ncs_simil.f90 ridge.f90 local_tls.f90 lsq_exp2.f ++lsq_exp2.o: restr_files.o dist_routines.o ncs_simil.o ridge.o local_tls.o lsq_exp2.f ++ $(FC) $(FFLAGS) -c lsq_exp2.f + +-vdw_and_contacts.o: vdw_and_contacts.f local_tls.f90 ridge.f90 restr_files.f90 +- $(FC) $(FFLAGS) -c restr_files.f90 ridge.f90 local_tls.f90 vdw_and_contacts.f ++vdw_and_contacts.o: vdw_and_contacts.f local_tls.o ridge.o restr_files.o ++ $(FC) $(FFLAGS) -c vdw_and_contacts.f + + dist_routines.o: dist_routines.f90 + $(FC) $(FFLAGS) -c dist_routines.f90 +@@ -193,109 +188,110 @@ 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 +- $(FC) $(FFLAGS) -c restr_files.f90 rigid_allocate.f ++rigid_allocate.o: restr_files.o rigid_allocate.f ++ $(FC) $(FFLAGS) -c rigid_allocate.f + +-tls_allocate.o: restr_files.f90 tls_allocate.f +- $(FC) $(FFLAGS) -c restr_files.f90 tls_allocate.f ++tls_allocate.o: restr_files.o tls_allocate.f ++ $(FC) $(FFLAGS) -c tls_allocate.f + +-hkon_secder_tch.o: hkon_secder_tch.f local_tls.f90 ncs_simil.f90 optimise_solvent_all.f90 restr_files.f90 +- $(FC) $(FFLAGS) -c restr_files.f90 optimise_solvent_all.f90 ncs_simil.f90 local_tls.f90 hkon_secder_tch.f ++hkon_secder_tch.o: hkon_secder_tch.f local_tls.o ncs_simil.o optimise_solvent_all.o restr_files.o ++ $(FC) $(FFLAGS) -c hkon_secder_tch.f + +-oppro_allocate.o: oppro_allocate.f filter_params.f90 optimise_solvent_all.f90 restr_files.f90 +- $(FC) $(FFLAGS) -c restr_files.f90 optimise_solvent_all.f90 filter_params.f90 oppro_allocate.f ++oppro_allocate.o: oppro_allocate.f filter_params.o optimise_solvent_all.o restr_files.o ++ $(FC) $(FFLAGS) -c oppro_allocate.f + +-read_extra_restraints.o: restr_files.f90 read_extra_restraints.f +- $(FC) $(FFLAGS) -c restr_files.f90 read_extra_restraints.f ++read_extra_restraints.o: restr_files.o read_extra_restraints.f ++ $(FC) $(FFLAGS) -c read_extra_restraints.f + +-coords.o: coords.f90 atomf77mod.f +- $(FC) $(FFLAGS) -c atomf77mod.f coords.f90 ++coords.o: coords.f90 atomf77mod.o ++ $(FC) $(FFLAGS) -c coords.f90 + +-refpre_twin.o: refpre_twin.f coords.f90 automorphism.f90 restr_files.f90 +- $(FC) $(FFLAGS) -c restr_files.f90 coords.f90 automorphism.f90 refpre_twin.f ++refpre_twin.o: refpre_twin.f coords.o automorphism.o restr_files.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 +- $(FC) $(FFLAGS) -c restr_files.f90 filter_params.f90 mtz_write_twin.f ++mtz_write_twin.o: mtz_write_twin.f filter_params.o restr_files.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 +- $(FC) $(FFLAGS) -c restr_files.f90 optimise_solvent_all.f90 filter_params.f90 local_tls.f90 ridge.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 ++ $(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 +- $(FC) $(FFLAGS) -c optimise_solvent_all.f90 make_refmac_dummy.f ++make_refmac_dummy.o: make_refmac_dummy.f optimise_solvent_all.o ++ $(FC) $(FFLAGS) -c make_refmac_dummy.f + +-ml_scaling_double.o: ml_scaling_double.f optimise_solvent_all.f90 +- $(FC) $(FFLAGS) -c optimise_solvent_all.f90 ml_scaling_double.f ++ml_scaling_double.o: ml_scaling_double.f optimise_solvent_all.o ++ $(FC) $(FFLAGS) -c ml_scaling_double.f + +-refall_twin.o: refall_twin.f optimise_solvent_all.f90 restr_files.f90 +- $(FC) $(FFLAGS) -c restr_files.f90 optimise_solvent_all.f90 refall_twin.f ++refall_twin.o: refall_twin.f optimise_solvent_all.o restr_files.o ++ $(FC) $(FFLAGS) -c refall_twin.f + +-rharvest.o: rharvest.f optimise_solvent_all.f90 +- $(FC) $(FFLAGS) -c optimise_solvent_all.f90 rharvest.f ++rharvest.o: rharvest.f optimise_solvent_all.o ++ $(FC) $(FFLAGS) -c rharvest.f + +-solvent_contr_mask.o: solvent_contr_mask.f optimise_solvent_all.f90 +- $(FC) $(FFLAGS) -c optimise_solvent_all.f90 solvent_contr_mask.f ++solvent_contr_mask.o: solvent_contr_mask.f optimise_solvent_all.o ++ $(FC) $(FFLAGS) -c solvent_contr_mask.f + +-subag_scale_hessian.o: subag_scale_hessian.f optimise_solvent_all.f90 restr_files.f90 +- $(FC) $(FFLAGS) -c restr_files.f90 optimise_solvent_all.f90 subag_scale_hessian.f ++subag_scale_hessian.o: subag_scale_hessian.f optimise_solvent_all.o restr_files.o ++ $(FC) $(FFLAGS) -c subag_scale_hessian.f + +-subcf_scale1.o: subcf_scale1.f optimise_solvent_all.f90 +- $(FC) $(FFLAGS) -c optimise_solvent_all.f90 subcf_scale1.f ++subcf_scale1.o: subcf_scale1.f optimise_solvent_all.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 + +-refmac_xml.o: refmac_xml.f optimise_solvent_all.f90 restr_files.f90 bvalue_routines.f90 +- $(FC) $(FFLAGS) -c bvalue_routines.f90 restr_files.f90 optimise_solvent_all.f90 refmac_xml.f ++refmac_xml.o: refmac_xml.f optimise_solvent_all.o restr_files.o bvalue_routines.o ++ $(FC) $(FFLAGS) -c refmac_xml.f + + hkl_pack.o: hkl_pack.f90 + $(FC) $(FFLAGS) -c hkl_pack.f90 + +-subvag.o: subvag.f hkl_pack.f90 ++subvag.o: subvag.f hkl_pack.o + $(FC) $(FFLAGS) -c hkl_pack.f90 subvag.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 enerf77mod.f 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 + + libcheck: $(SUBL) +- $(FC) $(FFLAGS) -o libcheck${VERSION} $(SUBL) ++ $(FC) $(FFLAGS) $(LDFLAGS) -o libcheck${VERSION} $(SUBL) $(LLIBCCP) $(LLIBCIF) $(LLIBLAPACK) + + clean: + /bin/rm *.o + + bridge.o: bridge.cpp llhood.h covmat.h Gauss.h tabfunc.h ++ $(CXX) $(CXXFLAGS) -c bridge.cpp |