diff options
author | Justin Lecher <jlec@gentoo.org> | 2010-11-16 14:59:10 +0000 |
---|---|---|
committer | Justin Lecher <jlec@gentoo.org> | 2010-11-16 14:59:10 +0000 |
commit | e13c2169e7686cedf4e2df05d866fe7e1ba05173 (patch) | |
tree | 966449c3ef150fd6f96084e4d60976e70d456386 /sci-chemistry/refmac | |
parent | version bump (diff) | |
download | historical-e13c2169e7686cedf4e2df05d866fe7e1ba05173.tar.gz historical-e13c2169e7686cedf4e2df05d866fe7e1ba05173.tar.bz2 historical-e13c2169e7686cedf4e2df05d866fe7e1ba05173.zip |
Version BUmp
Package-Manager: portage-2.1.9.24/cvs/Linux x86_64
Diffstat (limited to 'sci-chemistry/refmac')
-rw-r--r-- | sci-chemistry/refmac/ChangeLog | 8 | ||||
-rw-r--r-- | sci-chemistry/refmac/Manifest | 11 | ||||
-rw-r--r-- | sci-chemistry/refmac/files/5.6.0092-allow-dynamic-linking.patch | 323 | ||||
-rw-r--r-- | sci-chemistry/refmac/refmac-5.6.0092.ebuild | 71 |
4 files changed, 408 insertions, 5 deletions
diff --git a/sci-chemistry/refmac/ChangeLog b/sci-chemistry/refmac/ChangeLog index 1c898422f1b8..ae86a37e0e05 100644 --- a/sci-chemistry/refmac/ChangeLog +++ b/sci-chemistry/refmac/ChangeLog @@ -1,6 +1,12 @@ # ChangeLog for sci-chemistry/refmac # Copyright 1999-2010 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/ChangeLog,v 1.23 2010/11/06 15:39:25 jlec Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/ChangeLog,v 1.24 2010/11/16 14:59:10 jlec Exp $ + +*refmac-5.6.0092 (16 Nov 2010) + + 16 Nov 2010; Justin Lecher <jlec@gentoo.org> + +files/5.6.0092-allow-dynamic-linking.patch, +refmac-5.6.0092.ebuild: + Version BUmp *refmac-5.6.0091 (06 Nov 2010) diff --git a/sci-chemistry/refmac/Manifest b/sci-chemistry/refmac/Manifest index 35399b57f01c..61204e8a9df7 100644 --- a/sci-chemistry/refmac/Manifest +++ b/sci-chemistry/refmac/Manifest @@ -14,12 +14,14 @@ AUX 5.6.0085-allow-dynamic-linking.patch 10030 RMD160 76ce00e00d978274cb1b5b585d AUX 5.6.0086-allow-dynamic-linking.patch 10030 RMD160 76ce00e00d978274cb1b5b585d583c27fff30e3f SHA1 53e2cac876c7d5420a6f7872a0dc8f1eeb9bc74d SHA256 c14115b5d50c7312c4e2cf5ca39f3c53810093555352f3d1bedd97a4aff38e4c AUX 5.6.0088-allow-dynamic-linking.patch 15141 RMD160 9381d3cd8f9ca0d245fe40695c36c9b4fcaf1c11 SHA1 5de5ef929af460d18908f78f6e3c81cad64e6556 SHA256 b5a9f7bce38f839a532c806dc47ee9d81d67cfda703ad2f3e3c31cb779e4ce98 AUX 5.6.0089-allow-dynamic-linking.patch 15141 RMD160 9381d3cd8f9ca0d245fe40695c36c9b4fcaf1c11 SHA1 5de5ef929af460d18908f78f6e3c81cad64e6556 SHA256 b5a9f7bce38f839a532c806dc47ee9d81d67cfda703ad2f3e3c31cb779e4ce98 +AUX 5.6.0092-allow-dynamic-linking.patch 15244 RMD160 c7d1313f9addc68a9fb3f1a3877d499bb319699b SHA1 dcd3c72e50fd70406cfc11e532076c85164d9302 SHA256 8c6553bb891baf53723c302e7063c8cf3bacd5565bc1bf2f40a4a58319ab895d DIST refmac5.6_source_v5.6.0085.tar.gz 1276744 RMD160 968d0c18039a5ae19472df3c2b13a7f3c95df99b SHA1 56141b2c1c08194b24d00e444b802c86574505b1 SHA256 f4bc6a02f36c7a57e2a5ef03eb4040854806ff62f56b97cd2c9335ab73e9df70 DIST refmac5.6_source_v5.6.0086.tar.gz 1276868 RMD160 dae01bd49871ff483f8bc8058b191f1bd96612aa SHA1 4d0e0f30adb110cc3976aefcf5c0e08e80cf7045 SHA256 37a46cdfd1e0db31cd312bf267fc2983bf6683d0b775e32e3535d00601e70f69 DIST refmac5.6_source_v5.6.0088.tar.gz 1376837 RMD160 aaf7c3bb8846ad28a04580af5bd78c7af0838d03 SHA1 23aae26208efe37020dd02a3825976c97fce8613 SHA256 d2b28f24890f6333359c7351ee8430103ad925343ce5c47803e794e03ea40141 DIST refmac5.6_source_v5.6.0089.tar.gz 1376948 RMD160 0bab32d553c178168e4cc1155d3430bc71fb4c4f SHA1 c51acc5d1a896f0fbdb3982d587a9d7bb67f4db4 SHA256 036cdd6e39dbd0fd712daa552f2eb8a7c0442992cf03c9ca1fc231e1729750bf DIST refmac5.6_source_v5.6.0090.tar.gz 1377041 RMD160 b94a527bd72ef7fd0ac154963c0eb7ad236e5e02 SHA1 1d1d69098daf0d004e359d51a7859126f6eec6e7 SHA256 2f2d50fd15ae26e360babd6ab1cb164a48a714ca0d7bb7d711a866d73d4fbf34 DIST refmac5.6_source_v5.6.0091.tar.gz 1377042 RMD160 784ac8bc8b339c416af37443f07db39be6f7732f SHA1 24a49f40a05f26f2d1497293558e268ae5528502 SHA256 4863d01620f1951e1591ee253a2dea814f50f37c2f2a611dcca004d0fc5053a4 +DIST refmac5.6_source_v5.6.0092.tar.gz 1377001 RMD160 ee9cc1197db6a9d09a9ef310b8871e6a09304927 SHA1 4a08d39a64e37e77cbe3a6098ac615158b4a90e8 SHA256 97e0591fa4d591313e28ed9162762648c1618cfb32318a43ca975dcac3af223c DIST refmac_5.5.0109.tar.gz 1326779 RMD160 3b603c13638407cceb907bd43ac0a971b587c116 SHA1 3cc35a55df71bac4de3eec9cf0e690e221ae3c86 SHA256 38d416c94e1f86a0676d48d7ddaeb4af272970b8cd6b084e70aa38481327c59e DIST refmac_5.5.0110.tar.gz 1326832 RMD160 6613ca8b70e54e7827f8ff02b7d497560cb83e39 SHA1 ba2e38db6c88550bd901b474de881d6514b4d74e SHA256 1353fb1042586ec8fa37d0a90f274890d0ccc02377af5216200662338dfe08ca DIST test-framework.tar.gz 130933173 RMD160 7122539dc713615dca2ddaddfd8d152cd22624d0 SHA1 1d3e3019a67afb9b2346e919c859d402d3250fea SHA256 df050a2a29da80518cb0616a0bbeb82298ea0721549348d15353bf0f66240605 @@ -32,12 +34,13 @@ EBUILD refmac-5.6.0088.ebuild 1807 RMD160 11669262e2dfa49b416c803408608aea19d13c EBUILD refmac-5.6.0089.ebuild 1807 RMD160 049fbafd64bff2f10e6b196af2bb5ce2b91a79ce SHA1 c4ed3e2cb3c02ee9ed0f4383b2cef3aa026276bb SHA256 a01d0b65fb4b5cafa6dd904cd6d1c6f2724ca2433944e9bb4771b64067aec647 EBUILD refmac-5.6.0090.ebuild 1810 RMD160 32fd1db0b6dc76dc837f35cc6f7b758bafd0d1d9 SHA1 e0635b186576ace02f4bdb6f9146f93f4a24001d SHA256 809a3385b9b4df8ce4fbab96343af9ba67abf3e83e5a51ea003831f861af014f EBUILD refmac-5.6.0091.ebuild 1810 RMD160 c13d6735273e41ab92d0490135d79bfc052aa4b8 SHA1 2f2f26c125158cf976ac25991c2f685e324027d4 SHA256 b8be721babeeeba72929c1f60cd4e5fee0794a3a61f6e1f893a4dc2114fd8206 -MISC ChangeLog 4034 RMD160 5f95a8a66147dbac3b39a4fe8d3f43008d9533d7 SHA1 9adc63a94fcefbc0d093087243a63919a2d28f30 SHA256 2682bb48105a2ee8d137ad97ad2f32315ffd3867aa7d71cfffec2bb565ada02b +EBUILD refmac-5.6.0092.ebuild 1807 RMD160 3e5ec6c6c68cce2c637521be7398703bdc0cad02 SHA1 b0c29bfa994ea6e39d178ea16e4c558bf0491bc1 SHA256 2abc7303986aae3234d49cbb9e58842a078b6a8be9dbf66ec63652522b73dbb4 +MISC ChangeLog 4201 RMD160 ce447e4985d948ab6157801b5e640ba4363331e7 SHA1 601ed8c50188aee48d8464780bf55a82668c4ee2 SHA256 c99ba42f889a9ec4de67a8015b221f4f3f9419986aa3eaa448fa8b84d08ce554 MISC metadata.xml 311 RMD160 df83b13d491a71b729455b664088d89ddbde1c8c SHA1 fffd2a5645181aa12ac9b6f74da9a011cdcf1b97 SHA256 782521c7e16d7eec82d7b7e7c43102806e7f72bc7366401808b1e1ac6e26045a -----BEGIN PGP SIGNATURE----- Version: GnuPG v2.0.16 (GNU/Linux) -iEYEARECAAYFAkzVdrIACgkQgAnW8HDreRY1fQCgvUkFqDlFtAKnLcPR5iTANRpl -F+MAn1RLg46nd1NRHXkQr+UcW+u1xKi1 -=PTjV +iEYEARECAAYFAkzinEQACgkQgAnW8HDreRaIDwCfb8Sb8/u3xT4Ke6zL4EXSWuzd +n1sAnj5s+lq23j9GoE+ur01usIL0tnP/ +=DRsp -----END PGP SIGNATURE----- diff --git a/sci-chemistry/refmac/files/5.6.0092-allow-dynamic-linking.patch b/sci-chemistry/refmac/files/5.6.0092-allow-dynamic-linking.patch new file mode 100644 index 000000000000..5d83ca93e97d --- /dev/null +++ b/sci-chemistry/refmac/files/5.6.0092-allow-dynamic-linking.patch @@ -0,0 +1,323 @@ +diff --git a/makefile_refmac.inc1 b/makefile_refmac.inc1 +index ebf3cc1..627623e 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 weights.o agreem.o ++ $(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 weights.o agreem.o ++ $(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 weights.o agreem.o ++ $(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_mod.f90 +- $(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_mod.f90 ++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_mod.o ++ $(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_subr.o: rharvest_subr.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_subr.f ++rharvest_subr.o: rharvest_subr.f optimise_solvent_all.o weights.o agreem.o rharvest_mod.o ++ $(FC) $(FFLAGS) -c rharvest_subr.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 diff --git a/sci-chemistry/refmac/refmac-5.6.0092.ebuild b/sci-chemistry/refmac/refmac-5.6.0092.ebuild new file mode 100644 index 000000000000..0965d8217001 --- /dev/null +++ b/sci-chemistry/refmac/refmac-5.6.0092.ebuild @@ -0,0 +1,71 @@ +# Copyright 1999-2010 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/refmac-5.6.0092.ebuild,v 1.1 2010/11/16 14:59:10 jlec Exp $ + +EAPI="2" + +inherit fortran base toolchain-funcs versionator + +MY_PV="$(get_version_component_range 1-2)_source_v${PV}" + +DESCRIPTION="Macromolecular crystallographic refinement program" +HOMEPAGE="http://www.ysbl.york.ac.uk/~garib/refmac/" +SRC_URI="${HOMEPAGE}data/refmac_experimental/${PN}${MY_PV}.tar.gz + test? ( http://dev.gentooexperimental.org/~jlec/distfiles/test-framework.tar.gz )" + +SLOT="0" +LICENSE="ccp4" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="test" + +RDEPEND=" + sci-libs/ccp4-libs + sci-libs/mmdb + >sci-libs/monomer-db-1 + virtual/blas + virtual/lapack" +DEPEND="${RDEPEND}" + +S="${WORKDIR}" + +PATCHES=( + "${FILESDIR}"/${PV}-allow-dynamic-linking.patch + ) + +src_prepare() { + base_src_prepare + use test && epatch "${FILESDIR}"/5.5-test.log.patch +} + +src_compile() { + emake \ + FC=$(tc-getFC) \ + CC=$(tc-getCC) \ + CXX=$(tc-getCXX) \ + COPTIM="${CFLAGS}" \ + FOPTIM="${FFLAGS:- -O2}" \ + VERSION="" \ + XFFLAGS="-fno-second-underscore" \ + LLIBCCP="-lccp4f -lccp4c -lccif -lmmdb -lstdc++" \ + LLIBLAPACK="$(pkg-config --libs lapack blas)" \ + || die +} + +src_test() { + einfo "Starting tests ..." + export PATH="${WORKDIR}/test-framework/scripts:${S}:${PATH}" + export CCP4_TEST="${WORKDIR}"/test-framework + export CCP4_SCR="${T}" + ln -sf refmac "${S}"/refmac5 + sed '/^ANISOU/d' -i ${CCP4_TEST}/data/pdb/1vr7.pdb + ccp4-run-thorough-tests -v test_refmac5 || die +} + +src_install() { + for i in refmac libcheck FreeTwin header2matr; do + exeinto /usr/libexec/ccp4/bin/ + doexe ${i} || die + dosym ../libexec/ccp4/bin/${i} /usr/bin/${i} + done + dosym refmac /usr/bin/refmac5 || die +} |