diff options
author | Justin Lecher <jlec@gentoo.org> | 2010-09-24 10:55:08 +0000 |
---|---|---|
committer | Justin Lecher <jlec@gentoo.org> | 2010-09-24 10:55:08 +0000 |
commit | 007d18017bde133f62332f2b91c0f401f8aac963 (patch) | |
tree | 0b3983d7447884df607fb59ecbf18952df3f5c95 /sci-chemistry | |
parent | Stable on amd64 wrt bug #335332 (diff) | |
download | historical-007d18017bde133f62332f2b91c0f401f8aac963.tar.gz historical-007d18017bde133f62332f2b91c0f401f8aac963.tar.bz2 historical-007d18017bde133f62332f2b91c0f401f8aac963.zip |
Keyworded for ~-linux, Version Bump
Package-Manager: portage-2.2_rc86/cvs/Linux x86_64
Diffstat (limited to 'sci-chemistry')
-rw-r--r-- | sci-chemistry/coot/Manifest | 14 | ||||
-rw-r--r-- | sci-chemistry/refmac/ChangeLog | 8 | ||||
-rw-r--r-- | sci-chemistry/refmac/Manifest | 13 | ||||
-rw-r--r-- | sci-chemistry/refmac/files/5.6.0083-allow-dynamic-linking.patch | 237 | ||||
-rw-r--r-- | sci-chemistry/refmac/refmac-5.6.0083.ebuild | 71 |
5 files changed, 335 insertions, 8 deletions
diff --git a/sci-chemistry/coot/Manifest b/sci-chemistry/coot/Manifest index fb241af8ee5f..a053177d2583 100644 --- a/sci-chemistry/coot/Manifest +++ b/sci-chemistry/coot/Manifest @@ -1,3 +1,6 @@ +-----BEGIN PGP SIGNED MESSAGE----- +Hash: SHA1 + AUX 0.3.1-as-needed.patch 18766 RMD160 00b020d46457f9e335b92c2f48088cdc950fce3a SHA1 bd2835ba0a974c8e01d6fa30f670827e6e72fc70 SHA256 cb395ba53839e16aa9e3248b2cfb16794c137730e02a41ca80927538717c4d83 AUX 0.3.1-fix-compilation-with-guile-1.8.patch 968 RMD160 8c53c2bd3e78b17de447068646cba56bccf50072 SHA1 a2b74a18fa92021528b704bc95277fb77fc4ed02 SHA256 667246f46ac6324c7c346986221f68ee62922cfa3cdd2d3c9e816943719e5b71 AUX 0.3.1-link-against-guile-gtk-properly.patch 785 RMD160 56900791f5800cfee9157697914318d35828b791 SHA1 8f9ea3ebcb1f0998cba149b67d3687970f172e19 SHA256 8e267168766be09fbda929d19c0a440ed7306320da1918e8d0ecfc55b27f827e @@ -13,7 +16,14 @@ DIST coot-0.6.1.tar.gz 12229005 RMD160 76cbf28320ff52f02b40164eea00e7ec8a6b6c2c DIST coot-0.6.tar.gz 11929700 RMD160 6485a56f1d17b103e69b07b5fc128d266e83aa27 SHA1 ec3d486eda514e36bdbc99e8796484e584e4f851 SHA256 7700e7e758934ee5b4177c7bb8e1d7d564b838966dd3c77919fa08778627353b DIST greg-data-0.6.1.tar.gz 7930213 RMD160 e9a17d1ef2d3f15b3792ea5c7204901e0105b76b SHA1 f4158fa440406b88d0bb72880cdee9a3653c4233 SHA256 658a557b85ee6b90fc446cb3c605556586a2a5a0575ddd11b42265e019eb74a0 DIST greg-data-0.6.tar.gz 7929638 RMD160 d152fb3703eec8c4b3df37b24a1fa2a80a4a9d9f SHA1 5dda8e7e393e3602aa51b2ae830287f93534312f SHA256 032f223f86c0ac504ace427ac84a2bf31f9adaf4da581207526b198f4bb2d76d -EBUILD coot-0.6.1.ebuild 3708 RMD160 147abb2a67bc2ef5c4cea7cbbc5e59a52ca99057 SHA1 fa2c5d840fac21c3b3d39a9307d6c45a177229e6 SHA256 c18cc73e5f344d53dbfc87f81b218d80a6e0feca2f14f5ce1f1e65e58c226279 +EBUILD coot-0.6.1.ebuild 3727 RMD160 40e3a6cc6b261016f8f24ca4628cfc9d1d8d7f39 SHA1 8681f04a6ec390ae7cebdb5e6029f35ac8f6ca4c SHA256 feb387e80a593aee22e257894fd49e0bf7b2a661d3cc775a7f47815c63ed814a EBUILD coot-0.6.ebuild 3753 RMD160 819e0a09b87f6cbd3afee02d68428e706b825480 SHA1 f907ae8289d7aad1bfebea37ddbb27f88bca58c3 SHA256 6f99f54015fad0f9dbf4e87cf47fef9abb913e84374de41cc2f94515684751be -MISC ChangeLog 4419 RMD160 cc8f2ffb7148f58a539938f2528e3a86d248664a SHA1 95b89a36958379c081090f8d0102ad76b6a8237d SHA256 d928e3b53d5e802148b7a7b7552873ce7b1075ebd2c794c14328d57ea233395d +MISC ChangeLog 4505 RMD160 6724cd145384b74eb47fa84a9c82232d849fb670 SHA1 0598fa1f930c1ba0e46bba19113ef3e8e3322320 SHA256 15ec12686e043771bf26b6056c8f9a62214681de5ab7542deb6c0bcc3feee215 MISC metadata.xml 166 RMD160 4452298fd03e7c9395d1182bfe69d60a14144af6 SHA1 cb0b513473c0348f4f6f6cd9a132e4884155fddb SHA256 84c92b49702daf95eace8d2765215cbd8650da4ef776f9f700b5ce3785dec852 +-----BEGIN PGP SIGNATURE----- +Version: GnuPG v2.0.16 (GNU/Linux) + +iEYEARECAAYFAkycg+cACgkQgAnW8HDreRbBBgCfakWobfIPEv/HZXGpAA2AuO73 +k5gAnjBH26LkSuJvEvbLyAb50NAw6yQo +=ZccC +-----END PGP SIGNATURE----- diff --git a/sci-chemistry/refmac/ChangeLog b/sci-chemistry/refmac/ChangeLog index 713e3301bd0c..70284985fdf5 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 1.15 2010/07/06 13:07:18 jlec Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/ChangeLog,v 1.16 2010/09/24 10:55:08 jlec Exp $ + +*refmac-5.6.0083 (24 Sep 2010) + + 24 Sep 2010; Justin Lecher <jlec@gentoo.org> + +files/5.6.0083-allow-dynamic-linking.patch, +refmac-5.6.0083.ebuild: + Keyworded for ~-linux, Version Bump 06 Jul 2010; Justin Lecher <jlec@gentoo.org> +files/5.6.0081-allow-dynamic-linking.patch, refmac-5.6.0081.ebuild: diff --git a/sci-chemistry/refmac/Manifest b/sci-chemistry/refmac/Manifest index 4915f12ad253..960d6206a1dc 100644 --- a/sci-chemistry/refmac/Manifest +++ b/sci-chemistry/refmac/Manifest @@ -8,8 +8,10 @@ AUX 5.6.0075-allow-dynamic-linking.patch 1447 RMD160 5b4eca9f5e03aa0dea24fe4e391 AUX 5.6.0078-allow-dynamic-linking.patch 3254 RMD160 0136fa28503c10c07ae3e7b653c04cd1e03e3641 SHA1 8b896a003dad2ab840bd7310871fab8191930de6 SHA256 ad4c0feaefcdac5b834549f99ae69aa0b0b33c37332e7e385ee04258b4c51326 AUX 5.6.0080-allow-dynamic-linking.patch 3680 RMD160 656b50c14ae3b8b886967c39bb73c22d5e8c9ea1 SHA1 bab840c675e4628ee2220c87859fd08f0e88b95b SHA256 1aa6c02ec0aa04e044c5627d649b09402d7d95c44752f9137f62e5d513b171d9 AUX 5.6.0081-allow-dynamic-linking.patch 7251 RMD160 aba9b2cd1ace40020b59c6f320bae982191d450b SHA1 74e15ce9c68e38d2ad2541672c4184dca3f6fb84 SHA256 5c8f13cefafbf7df7dd86f5ca8134a5743cbb7b289da39b9d9f0b14a01cf9a04 +AUX 5.6.0083-allow-dynamic-linking.patch 9977 RMD160 d51728adbfe593832f71a6fe93593cd9affca7c3 SHA1 9a9571b615e444ac67b74c0f3a1b637fcfcf834e SHA256 b470bb10e67b30f5024e2b9c171583cf018b6a554e18115a570297e06905f26d DIST refmac5.6_source_v5.6.0080.tar.gz 1317431 RMD160 13f306092428bf87a29fa456c03f33c318183110 SHA1 17796be16dbbf4d442fed8814edbf6bb175a4aaf SHA256 cae4017c5a75b185c99a5460c96386978f7959c28c870b80ec9df272f9b3da53 DIST refmac5.6_source_v5.6.0081.tar.gz 1317646 RMD160 5b9e04d8b48f6f1445b192c6f592b0a7870e94d6 SHA1 b664dbcba778852137bbc13012d1bb8bff214e6e SHA256 8004eef62d6b37975b83eb5f8a92d4779022823d7a1e2130c53e0a41ced29027 +DIST refmac5.6_source_v5.6.0083.tar.gz 1306548 RMD160 d12fc7462f817ef2db8ec6cf7a168acf59021798 SHA1 0fa8b582bfe5df5da7842b9cf5305a0df2aff015 SHA256 90e88281cf2b380f186056e9d6b367188edb76a40e065ad54df9b44a3e924fb7 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 @@ -18,12 +20,13 @@ EBUILD refmac-5.5.0110-r1.ebuild 1787 RMD160 9017aa6e2f7d9d764904eeeb624c4480255 EBUILD refmac-5.5.0110.ebuild 1805 RMD160 80e546666e72290365c99c542abcef90a3394bb8 SHA1 a1731838742679b66984018fb8d25b8dbb11ae29 SHA256 8f825fc7f75854d631d6c6b037398237b8231a9fdc162e9ab1c6a46490b0a957 EBUILD refmac-5.6.0080.ebuild 1786 RMD160 5851ff9ac4b5fbb60bbc76baca5a2cf060ed5d69 SHA1 5eeaef1b03d2bda2be97fe43defd5e0602661750 SHA256 c891536606c9ad16198d181a6938012b2c1c6b0fde35bfedb96d44a6e1ec8eb5 EBUILD refmac-5.6.0081.ebuild 1786 RMD160 455b1167da85251e933c0280305a005582df78cf SHA1 2480d78f1d6381263fbbcada040519f6baf90b1d SHA256 2f60016dd306075c73a2d2e4f60285f8302dc3b173d51b2ff5a30d3c19b3cf91 -MISC ChangeLog 2652 RMD160 c8ee6b54c7351c9352fdd475396541b4ce6ad069 SHA1 1a529b4964a840a3f11a38f7a62e1fc9a1320a30 SHA256 5eeb74271d676259556751fafe1ae45c805fa02119c972f8c5508bb2e17bc5b3 +EBUILD refmac-5.6.0083.ebuild 1786 RMD160 b86ad9354ba7a803bac78beca63daa67baad0577 SHA1 b236b1587a35e57db462c112bb4edd641c36f805 SHA256 5bb09e103c97a9458f99330ed306b4bfee3e86b9f6fee6787ac4af532d13464b +MISC ChangeLog 2842 RMD160 8aa4223495a29ddb3be9889f667b41abc29d3407 SHA1 da2f58405017ba6fe8676f298ef07ecac3743ed0 SHA256 c46d677d9422aeb87d9e7a62524b1204957ba400dbb9744331f13f46555880cd MISC metadata.xml 311 RMD160 df83b13d491a71b729455b664088d89ddbde1c8c SHA1 fffd2a5645181aa12ac9b6f74da9a011cdcf1b97 SHA256 782521c7e16d7eec82d7b7e7c43102806e7f72bc7366401808b1e1ac6e26045a -----BEGIN PGP SIGNATURE----- -Version: GnuPG v2.0.15 (GNU/Linux) +Version: GnuPG v2.0.16 (GNU/Linux) -iEYEARECAAYFAkwzKowACgkQgAnW8HDreRavaACdEQfRPXD1/EMTyYeo4s0VC+Xf -imcAnjQkhOfAIHV3k2QpOFb0Gx5DnunS -=SxuT +iEYEARECAAYFAkycg5IACgkQgAnW8HDreRYx8gCgngp5LIIjaYptS5U8QvWs3vG2 +270AoLoNWs6uCPJtJf5xQMhnHSjsrQYq +=/Jba -----END PGP SIGNATURE----- diff --git a/sci-chemistry/refmac/files/5.6.0083-allow-dynamic-linking.patch b/sci-chemistry/refmac/files/5.6.0083-allow-dynamic-linking.patch new file mode 100644 index 000000000000..6ffe2cf9a6c6 --- /dev/null +++ b/sci-chemistry/refmac/files/5.6.0083-allow-dynamic-linking.patch @@ -0,0 +1,237 @@ +diff --git a/makefile_refmac.inc1 b/makefile_refmac.inc1 +index 3626812..26b2607 100644 +--- a/makefile_refmac.inc1 ++++ b/makefile_refmac.inc1 +@@ -91,9 +91,7 @@ messy_pdb.o \ + bridge.o \ + i0.o \ + i1.o \ +-chbevl.o \ +-$(LLIBCIF) \ +-$(LLIBLAPACK) ++chbevl.o + + + SUBL = \ +@@ -127,9 +125,7 @@ cell_symm_subrs.o \ + iheap_sort.o \ + linalgebra.o \ + math_refmac.o \ +-subnumrec.o \ +-$(LLIBLAPACK) \ +-$(LLIBCCP) ++subnumrec.o + + #-------------------------------------------------------------------------------- + +@@ -155,35 +151,35 @@ twin77mod.o: twin77mod.f + $(FC) $(FFLAGS) -c twin77mod.f + + +-max_with_twins.o: restr_files.f90 max_with_twins.f +- $(FC) $(FFLAGS) -c restr_files.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 +- $(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 + $(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 + +-enm_restraints.o: restr_files.f90 enm_restraints.f +- $(FC) $(FFLAGS) -c restr_files.f90 enm_restraints.f ++enm_restraints.o: restr_files.o enm_restraints.f ++ $(FC) $(FFLAGS) -c enm_restraints.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 +@@ -197,17 +193,17 @@ 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 ++ $(FC) $(FFLAGS) -c optimise_solvent_all.f90 filter_params.f90 oppro_allocate.f + + read_extra_restraints.o: restr_files.f90 read_extra_restraints.f + $(FC) $(FFLAGS) -c restr_files.f90 read_extra_restraints.f +@@ -215,59 +211,59 @@ read_extra_restraints.o: restr_files.f90 read_extra_restraints.f + coords.o: coords.f90 atomf77mod.f + $(FC) $(FFLAGS) -c atomf77mod.f 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.f ++ $(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 +@@ -276,30 +272,31 @@ subvag.o: subvag.f hkl_pack.f90 + $(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.f ++ $(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 diff --git a/sci-chemistry/refmac/refmac-5.6.0083.ebuild b/sci-chemistry/refmac/refmac-5.6.0083.ebuild new file mode 100644 index 000000000000..4a83de4cf265 --- /dev/null +++ b/sci-chemistry/refmac/refmac-5.6.0083.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-5.6.0083.ebuild,v 1.1 2010/09/24 10:55:08 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; do + exeinto /usr/libexec/ccp4/bin/ + doexe ${i} || die + dosym ../libexec/ccp4/bin/${i} /usr/bin/${i} + done + dosym refmac /usr/bin/refmac5 || die +} |