diff options
author | Justin Lecher <jlec@gentoo.org> | 2011-01-28 15:39:11 +0000 |
---|---|---|
committer | Justin Lecher <jlec@gentoo.org> | 2011-01-28 15:39:11 +0000 |
commit | 7021cc9205856bdc3bb96335fca109fe98c06588 (patch) | |
tree | b02743c054108ddabfc6595138ba8960e0783ec6 /sci-chemistry/refmac | |
parent | Stable on amd64 wrt bug #352993 (diff) | |
download | historical-7021cc9205856bdc3bb96335fca109fe98c06588.tar.gz historical-7021cc9205856bdc3bb96335fca109fe98c06588.tar.bz2 historical-7021cc9205856bdc3bb96335fca109fe98c06588.zip |
Version Bump
Package-Manager: portage-2.2.0_alpha19/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 | 13 | ||||
-rw-r--r-- | sci-chemistry/refmac/files/5.6.0102-allow-dynamic-linking.patch | 336 | ||||
-rw-r--r-- | sci-chemistry/refmac/refmac-5.6.0102.ebuild | 73 |
4 files changed, 424 insertions, 6 deletions
diff --git a/sci-chemistry/refmac/ChangeLog b/sci-chemistry/refmac/ChangeLog index 7218a1237471..4be8055aa360 100644 --- a/sci-chemistry/refmac/ChangeLog +++ b/sci-chemistry/refmac/ChangeLog @@ -1,6 +1,12 @@ # ChangeLog for sci-chemistry/refmac # Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/ChangeLog,v 1.40 2011/01/20 12:12:25 hwoarang Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/ChangeLog,v 1.41 2011/01/28 15:39:11 jlec Exp $ + +*refmac-5.6.0102 (28 Jan 2011) + + 28 Jan 2011; Justin Lecher <jlec@gentoo.org> + +files/5.6.0102-allow-dynamic-linking.patch, +refmac-5.6.0102.ebuild: + Version Bump 20 Jan 2011; Markos Chandras <hwoarang@gentoo.org> refmac-5.5.0110-r2.ebuild: Stable on amd64 wrt bug #349587 diff --git a/sci-chemistry/refmac/Manifest b/sci-chemistry/refmac/Manifest index c2092066aa25..5ca3c1f8ac04 100644 --- a/sci-chemistry/refmac/Manifest +++ b/sci-chemistry/refmac/Manifest @@ -19,21 +19,24 @@ AUX 5.6.0094-allow-dynamic-linking.patch 14253 RMD160 52c75acd769fc8df8c0c877457 AUX 5.6.0096-allow-dynamic-linking.patch 15644 RMD160 a5918087c640f6b460da8f03e85da04618983d90 SHA1 6b40bf1401114102b4eccc775b2b08849765d275 SHA256 c01c2dcd9130e7e7e465b753416a62a495c16eac1cff56289cb2de070b2e62fc AUX 5.6.0097-allow-dynamic-linking.patch 15960 RMD160 d5b0c7a0dcb3e3ca32d6c22b47cd20fd64e391e2 SHA1 b6cd3f6df9110670dba356acad31a3af56f65cd0 SHA256 4f1f5ed765c487f14b56d4386bb25a7f4dd069e49a5cb2b66c7c963c39c83812 AUX 5.6.0098-allow-dynamic-linking.patch 16190 RMD160 748fad762e601897bd81ba936d50a0d213e5226f SHA1 25c320391370d8226bdbf163f973693205cdc25a SHA256 a439334cf935321fb050c83b03faf6df212fcbb31255b4223db8a30215db09e3 +AUX 5.6.0102-allow-dynamic-linking.patch 16236 RMD160 d05f0bf2b9e59eb856b0e3da8fc4648fe87a2c74 SHA1 5471e925f95a5e9fca44708f4bf0859e3f2a1932 SHA256 7c1bddd203b116a3a17d41c17f9dc8707f20cee1ef5deade40b59b35cd20952b DIST refmac5.6_source_v5.6.0097.tar.gz 1385352 RMD160 794ec5b52fd3e59743a9a5f6e4e53e2b18b5eff7 SHA1 fee5a0b542f47c2f6c693489b2ca6bbc13b3a74d SHA256 127a260491cb8db7d670b6b9a48c74685bfd07e64e7819533b141ae7a90b055d DIST refmac5.6_source_v5.6.0098.tar.gz 1385701 RMD160 b0348e9b8c0e5a3318d8d5fb589c9d62a41ae080 SHA1 c1484972ad783b56c948c50b49a351cce87241d6 SHA256 dc38426128109148f1c2b066e5162487d94e5cc0dddc4a14ac244cd36d7fc007 DIST refmac5.6_source_v5.6.0099.tar.gz 1386351 RMD160 7ddc195259e47462f749a9ca06dae69eb159dbf7 SHA1 8460e6d30fdfeda4056559c0b93bc8562bdf5f94 SHA256 d91da122372b2c0895f4c344bded6e4433d2948ed4320e40bf46783b1940a77e +DIST refmac5.6_source_v5.6.0102.tar.gz 1387462 RMD160 827f41b30609c4ade0b11ebef6cb3f2bf435ed72 SHA1 7259a6686af1e71dc7f5290116a0b9ae74219982 SHA256 a74d2173d15b65ec24dd745f852299bf38e150569a97e199f0cef31b990f01d3 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 EBUILD refmac-5.5.0110-r2.ebuild 1882 RMD160 9090de535e3475370dd0581e80213e6e5d3169a6 SHA1 74866adf28c2695450bae403d5f38d87a07bb3a2 SHA256 a44037a5aebffd3b33067e7e764f02f7e97e4fe674f063b9eae7bae2e7722187 EBUILD refmac-5.6.0097.ebuild 1868 RMD160 0ab9127e0db43e1c51a8495f21d8654bbb61a078 SHA1 2f0ed51542001e9e697f9dd6db51c0c32dab0525 SHA256 af13cca63f2265b1e03733b6ddec12f7ab7f8d65f35bfd7b8663f5589efb65ec EBUILD refmac-5.6.0098.ebuild 1868 RMD160 f9fb038fcd1dc01ae5681dbd3aad03004592a3b3 SHA1 a880241edc1508f054b207744b9a2c3571992f6d SHA256 5719df2edca46720c816b57034938bdeaac11ff620f783218a6cff4bca7de6a2 EBUILD refmac-5.6.0099.ebuild 1874 RMD160 a7341a8e09c29034d1379ca92a2ee850ad163225 SHA1 500118dd748f30ba71f85bd78878319605375b57 SHA256 271b1a3513eac2d99dc6af897ac201c04bbb3539e4dd58bb42f1b1c12eab643c -MISC ChangeLog 7041 RMD160 6069d21b182f70a0dc89641f1df57d1c35ea7e7d SHA1 fb5985f0527d4b1e18402d304851b860c6cce197 SHA256 26d641fe2d29bbf02a98addb01cf162296bdb05aee762935d3f901d31c9185d3 +EBUILD refmac-5.6.0102.ebuild 1868 RMD160 480e226aa98f582ce692bab41d927cbfde830670 SHA1 8ae6e7946f62e0831111c84264953337dcaef75e SHA256 22e97a1e18982dc65118833101dedbcad9f1d5382d14cb9d94c12f96b8181b15 +MISC ChangeLog 7204 RMD160 21adccb54544f62a8bd1b57bbf752486d533ac88 SHA1 a12504c43ee3164987c6e5c2226c958c0111732b SHA256 efd098ca333be28e1d735d24644a866e2ab10d9fd515f34eb67582e4c27cfa31 MISC metadata.xml 311 RMD160 df83b13d491a71b729455b664088d89ddbde1c8c SHA1 fffd2a5645181aa12ac9b6f74da9a011cdcf1b97 SHA256 782521c7e16d7eec82d7b7e7c43102806e7f72bc7366401808b1e1ac6e26045a -----BEGIN PGP SIGNATURE----- -Version: GnuPG v2.0.17 (GNU/Linux) +Version: GnuPG v2.0.16 (GNU/Linux) -iEYEARECAAYFAk04Jl8ACgkQ9/cejkQaxBCAoACfU3zBxfSo0nhQ9SbRyoFwky3u -ll8An1YYOjzQlLl4idPGWn3AKOQiSiZf -=zddv +iEYEARECAAYFAk1C4yQACgkQgAnW8HDreRaG4gCeKdYsEGxe1t9+dIZmM6vJZRaC +gKgAnRqCJO71f3aIm5IPpM4h0BNiqKPZ +=EtE3 -----END PGP SIGNATURE----- diff --git a/sci-chemistry/refmac/files/5.6.0102-allow-dynamic-linking.patch b/sci-chemistry/refmac/files/5.6.0102-allow-dynamic-linking.patch new file mode 100644 index 000000000000..54861a5247e1 --- /dev/null +++ b/sci-chemistry/refmac/files/5.6.0102-allow-dynamic-linking.patch @@ -0,0 +1,336 @@ +diff --git a/makefile_refmac.inc1 b/makefile_refmac.inc1 +index 0f8bd63..21b51aa 100644 +--- a/makefile_refmac.inc1 ++++ b/makefile_refmac.inc1 +@@ -96,9 +96,7 @@ bridge.o \ + i0.o \ + i1.o \ + chbevl.o \ +-make_unix_ccp4.o \ +-$(LLIBCIF) \ +-$(LLIBLAPACK) ++make_unix_ccp4.o + + + SUBL = \ +@@ -133,9 +131,7 @@ cell_symm_subrs.o \ + iheap_sort.o \ + linalgebra.o \ + math_refmac.o \ +-subnumrec.o \ +-$(LLIBLAPACK) \ +-$(LLIBCCP) ++subnumrec.o + + SUB_FREE = \ + freer_twin.o \ +@@ -145,9 +141,7 @@ subnumrec.o \ + libT.o \ + iheap_sort.o \ + cell_symm_subrs.o \ +-math_refmac.o \ +-$(LLIBLAPACK) \ +-$(LLIBCCP) ++math_refmac.o + + SUB_HEADER = header2matr.o + #-------------------------------------------------------------------------------- +@@ -185,41 +179,41 @@ rharvest_mod.o: rharvest_mod.f90 + twin77mod.o: twin77mod.f + $(FC) $(FFLAGS) -c twin77mod.f + +-gibbs_gm_sampler.o: linalgebra_f90.f90 gibbs_gm_sampler.f90 +- $(FC) $(FFLAGS) -c linalgebra_f90.f90 gibbs_gm_sampler.f90 ++gibbs_gm_sampler.o: linalgebra_f90.o gibbs_gm_sampler.f90 ++ $(FC) $(FFLAGS) -c gibbs_gm_sampler.f90 + +-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: ncs_rest_mod.f90 restr_files.f90 ncs_ncs_generate.f90 ncs_rest.f weights.f90 +- $(FC) $(FFLAGS) -c ncs_rest_mod.f90 restr_files.f90 ncs_ncs_generate.f90 weights.f90 ncs_rest.f ++ncs_rest.o: ncs_rest_mod.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: ncs_rest_mod.f90 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 ncs_rest_mod.f90 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: ncs_rest_mod.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: ncs_rest_mod.f90 vdw_and_contacts.f local_tls.f90 ridge.f90 restr_files.f90 weights.f90 agreem.f90 +- $(FC) $(FFLAGS) -c ncs_rest_mod.f90 restr_files.f90 ridge.f90 local_tls.f90 weights.f90 agreem.f90 vdw_and_contacts.f ++vdw_and_contacts.o: ncs_rest_mod.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 + +-ncs_simil.o: ncs_rest_mod.f90 ncs_simil.f90 +- $(FC) $(FFLAGS) -c ncs_rest_mod.f90 ncs_simil.f90 ++ncs_simil.o: ncs_rest_mod.o ncs_simil.f90 ++ $(FC) $(FFLAGS) -c ncs_simil.f90 + + ridge.o: ridge.f90 + $(FC) $(FFLAGS) -c ridge.f90 +@@ -227,140 +221,138 @@ 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 ++rigid_allocate.o: restr_files.o rigid_allocate.f agreem.o ++ $(FC) $(FFLAGS) -c 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 ++tls_allocate.o: restr_files.o tls_allocate.f weights.o agreem.o ++ $(FC) $(FFLAGS) -c tls_allocate.f + +-hkon_secder_tch.o: ridge.f90 gibbs_gm_sampler.f90 ncs_rest_mod.f90 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 ridge.f90 gibbs_gm_sampler.f90 ncs_rest_mod.f90 restr_files.f90 optimise_solvent_all.f90 ncs_simil.f90 local_tls.f90 \ +- hkon_secder_tch.f weights.f90 agreem.f90 rharvest_mod.f90 ++hkon_secder_tch.o: ridge.o gibbs_gm_sampler.o ncs_rest_mod.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 + +-oppro_allocate.o: ncs_rest_mod.f90 oppro_allocate.f filter_params.f90 optimise_solvent_all.f90 restr_files.f90 weights.f90 +- $(FC) $(FFLAGS) -c ncs_rest_mod.f90 restr_files.f90 optimise_solvent_all.f90 filter_params.f90 weights.f90 oppro_allocate.f ++oppro_allocate.o: ncs_rest_mod.o oppro_allocate.f filter_params.o optimise_solvent_all.o restr_files.o weights.o ++ $(FC) $(FFLAGS) -c oppro_allocate.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 ++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.f +- $(FC) $(FFLAGS) -c atomf77mod.f coords.f90 ++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 ++ls_scaling_double.o: ls_scaling_double.f weights.o agreem.o ++ $(FC) $(FFLAGS) -c ls_scaling_double.f + +-fast_hessian_tabulation.o: fast_hessian_tabulation.f weights.f90 +- $(FC) $(FFLAGS) -c fast_hessian_tabulation.f weights.f90 ++fast_hessian_tabulation.o: fast_hessian_tabulation.f weights.o ++ $(FC) $(FFLAGS) -c fast_hessian_tabulation.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 ++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.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 ++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: ncs_rest_mod.f90 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 ncs_rest_mod.f90 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: ncs_rest_mod.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: restr_files.f90 ncs_rest_mod.f90 make_refmac_dummy.f optimise_solvent_all.f90 weights.f90 agreem.f90 rharvest_mod.f90 +- $(FC) $(FFLAGS) -c restr_files.f90 ncs_rest_mod.f90 weights.f90 agreem.f90 rharvest_mod.f90 optimise_solvent_all.f90 make_refmac_dummy.f ++make_refmac_dummy.o: restr_files.o ncs_rest_mod.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: ncs_rest_mod.f90 rharvest_subr.f optimise_solvent_all.f90 weights.f90 agreem.f90 rharvest_mod.f90 +- $(FC) $(FFLAGS) -c ncs_rest_mod.f90 optimise_solvent_all.f90 weights.f90 agreem.f90 rharvest_mod.f90 rharvest_subr.f ++rharvest_subr.o: ncs_rest_mod.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 +@@ -369,16 +361,17 @@ 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-5.6.0102.ebuild b/sci-chemistry/refmac/refmac-5.6.0102.ebuild new file mode 100644 index 000000000000..6f00bbf10220 --- /dev/null +++ b/sci-chemistry/refmac/refmac-5.6.0102.ebuild @@ -0,0 +1,73 @@ +# Copyright 1999-2011 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/refmac-5.6.0102.ebuild,v 1.1 2011/01/28 15:39:11 jlec Exp $ + +EAPI="2" + +inherit 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}${MY_PV}.tar.gz + test? ( http://dev.gentooexperimental.org/~jlec/distfiles/test-framework.tar.gz )" + +SLOT="0" +LICENSE="ccp4" +KEYWORDS="~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux" +IUSE="test" + +RDEPEND=" + >=sci-libs/ccp4-libs-6.1.3-r7 + sci-libs/mmdb + >sci-libs/monomer-db-1 + virtual/blas + virtual/lapack" +DEPEND="${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 ..." + source "${EPREFIX}/etc/profile.d/40ccp4.setup.sh" + export PATH="${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 +} |