diff options
Diffstat (limited to 'sci-chemistry')
22 files changed, 86 insertions, 353 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz Binary files differindex a0893f316c7f..1bde0748b00c 100644 --- a/sci-chemistry/Manifest.gz +++ b/sci-chemistry/Manifest.gz diff --git a/sci-chemistry/aria/Manifest b/sci-chemistry/aria/Manifest index 24bc93d05d67..8e0e9a87437b 100644 --- a/sci-chemistry/aria/Manifest +++ b/sci-chemistry/aria/Manifest @@ -1,3 +1,3 @@ -DIST aria2.3.2_08.26.2013.tar.gz 1878602 SHA256 b9b892de2070a77812733faf4b6a1dbec4bba6dec80e5630088cab8b11cbfaf0 SHA512 a6d8c45218f5d494174587a5f8f1feec940ac8cc4cd7b707dac65b2378219ecf27967e70807e6cb7ae22a7d4aec7239af763f077ad7183c078b1991cac71bc3e WHIRLPOOL 59c0b79fab40201d903c484bf63e8339c235207306efc848965d260c02b00c9a408297df0f211cf45f30d13ec35175bf7d566bb5c6d59b944eb22d9aacf0384d +DIST aria2.3.2_08.26.2013.tar.gz 1878602 BLAKE2B 3044192853c0ed0653d20fea959d3b01321f559845c555289658f93b65e9148f8cd0f59619e8690887b2811d613e6cc2f67b67af7d84ade4b8fc18403367086c SHA512 a6d8c45218f5d494174587a5f8f1feec940ac8cc4cd7b707dac65b2378219ecf27967e70807e6cb7ae22a7d4aec7239af763f077ad7183c078b1991cac71bc3e EBUILD aria-2.3.2_p20130826.ebuild 1918 BLAKE2B 12b418e5949ee99892a5cff811e3d8dfe08b1f99cf425df8f0dde976fbae39cb31f5767b2173f8f3756cb428f18ef917e5f2d02546d4edbd28801c693eaca61d SHA512 97f30da0e83cee0e9ed20c0d81b020fa55d3b62c60f25014b4b83888e3004f01b94216ba13257b8fe2fb92156391f3c08845d6f1cf5684739a1fc6d412ecd712 MISC metadata.xml 271 BLAKE2B a446884cbe7a6789e0bcd82759f57bf1ab7b29c5ab714057ffa821c90f799d1fa9f9310c187ee4c3a8ae2476f6ea9d15f368045779f1581e68d02802c61c884c SHA512 3e6e6047a29e07123b81279cae1de17bc4bd4c3d7d8a8d26560114a18185f473d038fc220fa81c7213fa203ce197bad8b1c272d9b7e41cd770a953fa6308ff92 diff --git a/sci-chemistry/cns/Manifest b/sci-chemistry/cns/Manifest index 2cf6e91fa191..6bd6b5ca2dea 100644 --- a/sci-chemistry/cns/Manifest +++ b/sci-chemistry/cns/Manifest @@ -7,10 +7,10 @@ AUX 1.3_p7-delete.patch 448 BLAKE2B 1b678ecb54ed31c73805b9665c441b1bc5fbd965ce3a AUX 1.3_p7-gentoo.patch 2581 BLAKE2B 7a65fdf4c787b5adbf1730ecbbf74950ca29cdefa62f7a6dab085f0e85e773e117746559e6ec9f97cca36a8e0464b71ed92b33d18ab0babf2dd2566fc0a1b35e SHA512 235b5890c9c0aa9bfac0034e35c3641968b5b1f600bbbfa81240fe405f28910a00184b6fa2ec7a993883ba6db95f1fa9e44cb4b7b9e61ab3d9dcfa26869e1a4c AUX cns_solve_env_sh 7070 BLAKE2B 733dc170c5bb009e4774486b95aeb18811cbf339ffda3ff1ee3e8b6b703c782996b291ed0a1aaee6fd314a86b429183fc5a632136bbe3e13524176325828801e SHA512 b012e46706f39d934ff27e4b381907ddd25ca1fbc0112c320b117d68cca3e81f571bfd1821b49477dc16bfd8a0a943c43469fe847cf99e6ab2d08ef238bada31 AUX cns_solve_env_sh-1.3_p7 7332 BLAKE2B cc4a96591f5bb7716d981525a923413f5f723774cc6253e7483b0ef849a6c57e0fd31e27d4848fd2656e50d83935416a6de62016f9a054bc48313454df9c5548 SHA512 afe2f24c85eff265659e5b2ba2edab519c3193d30b2dcd815bc91a929fd4f4a9167148f8248237569f809d627a8fa623a46fe82d3e0a2cb1827bed910ce565cb -DIST aria2.3.1.tar.gz 1833973 SHA256 cc45ed2d66182cf0ee197a7cf3bc7edd8d5043d95cdcd19e1cec9aeb82c2fdbc SHA512 79a2cd89e2120acecb04f286a153dbf52c16500e8956c9dad49b1e1ed94a7b2449c7b044bae6f87e0d2b452a1467a2c02de74f0fa85b0eae66042386e2f5e2d5 WHIRLPOOL 2ff003322601b42bec0d2431e2f1f85819b3982f8da612ff778bb404e51f0fcbca3faa6998e9c0635f9e73899609bb1e273420cac182952aa744364c20299723 -DIST aria2.3.2.tar.gz 1836270 SHA256 30727ea8bdc2e3b44e5970545008fcfa07fa59aa28b76824956a2aa71daa9615 SHA512 009a1d0079f5cc162dc732749ddd2b33297268f0d988b2f37bda4ed50c7764ceef7ae5b56b322c7ac79427a4a2a92d1239199891445cb5e2b3d0908ed670e2aa WHIRLPOOL f18af5b751e79c92e04f4dc12b6b806a1c505b269559a2342bdd6280b790f9f0df9bb4afe366af03beaf09af0128c6b68c39bc66603d51ad24914c78b2579cf3 -DIST cns_solve_1.21_all-mp.tar.gz 32748040 SHA256 7ab464e20932eb024ba6378738da77a4a03642d63b0ca9772b612a7cf27baec1 SHA512 383324d771570b501e388fba9bf20789f483a3a4044eb3334c7a7e7835e0c345b784e0d344b22d20a10fe1c33ed21c9013adb1af5912808af480b96abe275857 WHIRLPOOL fecd0b2dfba43e5525a9fcc8543a55867602b376744848ddafd4c132bcdfc32225780f543742fa225b5e0f0ce658c1029a9ca8b80d5ee3f2491b6d63e8ad91b0 -DIST cns_solve_1.3_all.tar.gz 64167735 SHA256 2ee368022c5ecabf66ce7d32059d93cd7d885ad2d684a094b87c64f6b3dfea0d SHA512 4fe73820e96999bb33a59ff6da979794628552f49bc03cdebcb9439b57e6042b92190e04bb7e4079157adf06a6facc5c16b8ae91621bd24a4b35ee382e53ae37 WHIRLPOOL b3cd14ab7a8a29a44f6e6c3cbc22ee2c665eb8c8565969337b24deffb2a1fd007fae11c5eb73ac38ddf9a38e850948e3b2df2548931722a2a383d5e8c72607a1 +DIST aria2.3.1.tar.gz 1833973 BLAKE2B 4bf51626a4283452e75a834d0160a4204efd5a35ee8b07329f2a4f933ceea23e53177e6ed19bc9cc158b2a00491d20c75d443bdc04e7feb2d7eda3dc006818e1 SHA512 79a2cd89e2120acecb04f286a153dbf52c16500e8956c9dad49b1e1ed94a7b2449c7b044bae6f87e0d2b452a1467a2c02de74f0fa85b0eae66042386e2f5e2d5 +DIST aria2.3.2.tar.gz 1836270 BLAKE2B 725b0db2b5de36d1b132c5073b8a91f26fa19b48549f4c899041a2b140127524f660c4faeb8c35e94d3d19c24b0252f379de0e85c8fb08b86fc7834252239fb9 SHA512 009a1d0079f5cc162dc732749ddd2b33297268f0d988b2f37bda4ed50c7764ceef7ae5b56b322c7ac79427a4a2a92d1239199891445cb5e2b3d0908ed670e2aa +DIST cns_solve_1.21_all-mp.tar.gz 32748040 BLAKE2B 7c82fd9cddc56a00d791d6d5525491b91525962f000c2fdfb02a3ab81305c0c026c115c2328dac99ac7b30146ca591620f4f42019938fb49e7ce52235b281121 SHA512 383324d771570b501e388fba9bf20789f483a3a4044eb3334c7a7e7835e0c345b784e0d344b22d20a10fe1c33ed21c9013adb1af5912808af480b96abe275857 +DIST cns_solve_1.3_all.tar.gz 64167735 BLAKE2B 3901a597eb0deac7f2fad173e15d78bfcd753c4019739e22c8851194c9446305cd92bcff73f7f06dc21b6d055852863993412296e1e555ef0b3b730052934cbd SHA512 4fe73820e96999bb33a59ff6da979794628552f49bc03cdebcb9439b57e6042b92190e04bb7e4079157adf06a6facc5c16b8ae91621bd24a4b35ee382e53ae37 EBUILD cns-1.2.1-r8.ebuild 6584 BLAKE2B 83117af05029b6fc0d35f93e3b4a83e95c6f1b7ea9993da5ca79ef9adbe54eb0686384039501b260e065f13b7839730389b5179c458ea99dbe2a4d9e83c2ff46 SHA512 1b998dae6f3228bf56d66af3bdaa5fcfbb167de571506d7f1c5037cc73d1eff23f31f49fe89ed1defd05e2289f63f7a718b3b39a63bf06bd68a37fd91bfda832 EBUILD cns-1.3_p7-r1.ebuild 5810 BLAKE2B 3a73528b624e62e89151864dd16ea9cfeffb8c8ff89ee248d7e3b5620f2f75680b004f09f530f4c5a0c99c63355a3646db76ca27732404397de6ede54edc230c SHA512 cb0537ba0dd690864019641369dad0b62399a6beed2f60b97b4e46cb83d1451fbf7ceb965db17fc793958c5865de50edb5ca20b34dcd5762c5417a805bfbbb81 MISC metadata.xml 954 BLAKE2B 69065a98205d1c37abcc868279491caf3fa82fc209f25b8570385302a7efb14f1e13e23eedaae5db86fecdd56c9cf3d5bfeb0e425dd824c3f1fa5150a9641aad SHA512 af24c501f427f9473a9ef8ec90dfd14b2abb0856e8bde8bb1c664fe49a23032895c4d28d06112791b78880be1ef9b781efe60c26bee5d8e9a40a40b41713159b diff --git a/sci-chemistry/cyana/Manifest b/sci-chemistry/cyana/Manifest index 996a495c8a47..24c2aa5dc858 100644 --- a/sci-chemistry/cyana/Manifest +++ b/sci-chemistry/cyana/Manifest @@ -2,6 +2,6 @@ AUX 2.1-exec.patch 1959 BLAKE2B 6bd6b04db4b1d88c830602cca301e1efc5e98fa863c454f2 AUX 2.1-expire.patch 578 BLAKE2B 5626fcc6153b9bd8492a6233126b1b5d8f79c67b9a64676318f4453ad578579af4d34852e5e8dc4f6fe61d4895324eb0f36315ee3b857f094dbabb78573a04e3 SHA512 7816f284a7af23c5d87a5a464ea36e7a1b09e73516852b85fac0d71bb8376639788f3f9395f8a6fd9365906d2aaadbd060f2194c7af3b68a24927adefcd56c40 AUX 2.1-typo.patch 484 BLAKE2B 1f27f74ab6909575d38285fac1ae39d889be3fa8b7ffc6dfa586da3c58fb8e73c9ca196622e0a014584208c8450b8a70c6baf438235b353d83b9c8ac27ad70a3 SHA512 298e5053e4261477a11f0dff2339f198e50e92a96b98c5aea82e3a432b806b1ea0baa3638ef6e65dee315be3223510a804e2c849a82fdda0a1cf296de9d89db4 AUX 2.1-xiar.patch 385 BLAKE2B 0038dda5697290df2d853848edd06ec74e4bb3efe38d159265468992525e52098bdaf97bd12cba814c2d790306f52f800d6e696d73aefa4b2a1c10349ea6c40f SHA512 ce4c27b70d0c432b33f76b4ff76d004f525243269064f1af439bf42ab9783edd9dc19712b277d8e08bb692a28c40db7007040da1635cbd3c432029e4fe6c680f -DIST cyana-2.1.tar.gz 2203650 SHA256 4b49d23eda3a327074fa337c7ee13262e93fb2b92cc6feb9139dfb7695bdeded SHA512 20f5369e47198000927ee9a60beda34d265fddcd6be59f0d5d81ac23691b7e870ca674bdd7215a13bc849586411a007ebb1ff46072b55f255a6d796359067be8 WHIRLPOOL dfc60a456c166d98bbdb60227a2dae63d12ea9fb7375dede3d372a6dbf0785bfd0c8b1069d985a6ee775ab136405b553ff9336a2603d139d81d853f0681f5167 +DIST cyana-2.1.tar.gz 2203650 BLAKE2B 0af9049b24674a43cfea44129c57a1dbf7c5b457f2f02272d89f60b21a7c6571884d36575cdb6f98b84a1490c318f6bb6b41fe66e417cd0bb371895479d9d372 SHA512 20f5369e47198000927ee9a60beda34d265fddcd6be59f0d5d81ac23691b7e870ca674bdd7215a13bc849586411a007ebb1ff46072b55f255a6d796359067be8 EBUILD cyana-2.1.ebuild 1439 BLAKE2B b865b24efff5f51d90a1566ef775db539dcaec919c821b5de192acf2d763ac04ebe90446fc69b03040a9ed22fe0acce8770bc86138191a2b8159c4080dcba867 SHA512 47108af1f37d2adb2fd111da3db51f60feedc4d4f7c4da5327b3217626e8d6826b45993e900ca43d252c98d42216e6a878ada5039be7385bd18d2dac67c3891f MISC metadata.xml 271 BLAKE2B a446884cbe7a6789e0bcd82759f57bf1ab7b29c5ab714057ffa821c90f799d1fa9f9310c187ee4c3a8ae2476f6ea9d15f368045779f1581e68d02802c61c884c SHA512 3e6e6047a29e07123b81279cae1de17bc4bd4c3d7d8a8d26560114a18185f473d038fc220fa81c7213fa203ce197bad8b1c272d9b7e41cd770a953fa6308ff92 diff --git a/sci-chemistry/namd/Manifest b/sci-chemistry/namd/Manifest index cef3b7a38707..eed29c1248f3 100644 --- a/sci-chemistry/namd/Manifest +++ b/sci-chemistry/namd/Manifest @@ -1,8 +1,5 @@ -AUX namd-2.10-gentoo.patch 4636 BLAKE2B ea896b918e38d099a0d9f1268a4b28eccf378e187a6067aa7ac872a3c6d51403d783ba8ff03169d7745f952fe4e259aaf60ee50e9f381f577709740891fd34a1 SHA512 28ffbedb05d24a74e05a4f65424a25a4598e2172b7b4ab07fe84570e3162373e4e018f66077636bb097c6e0687666ac81dbb8b925a195f23c269829ebb9234c8 +AUX namd-2.10-gentoo.patch 4637 BLAKE2B 0439e424f3d2a73378c68052f9d9dd69dc9590b9f83fa4062d4abc156b3b682f0e8a2cffd8a1e1f751f8dfd71d067c0234ba56946773ca9139e73c57e775c631 SHA512 35afda71ad7567d1b2c4c1f4073792d5977edc997ba7a43cf71c8ed32308062edc5cb4923202d599d59ade2f98602a0fac21138ba205a3bf6b681c86a61411f8 AUX namd-2.7-iml-dec.patch 520 BLAKE2B c16430d1161b9d7e3faf22257d84ff1090eccf906a296f91d4ec0731fa89d23334d5c39c7988f8ac6d5f5020d403d4491dadbe34b1e9800ada81ad18b2448b7d SHA512 50ddf91bcb0e370a98d6fe5329f00ec9a8016f0178e342b086f4b9d4130a41e525ed9d960e92dc83b4372f135ce9d454bef836d3e215fb6ac7933999278efa37 -AUX namd-2.9-gentoo.patch 5480 BLAKE2B 30b337c893984842e26f010fe084aa5398e217e6fd4098af87fe181cab735350730f27c07c1f8c401874b792a50a296662dba6856d30253024467e712cac1223 SHA512 e59a01fe0b65fe9df6b47e962f776eea650b55071081210d0e1269dd76e4da4bca8faef11398bd0cb1f8acc883c8ebf6b37d7fdab066602fd251aae82cb87264 -DIST NAMD_2.10_Source.tar.gz 9200234 SHA256 a5282c172524c2fbe6b9ba56f2de8c84f1093405c914ffbc70442dd0dd4e4289 SHA512 3712a03841fad76c502ac4e41469162ff78e6152560d0f6855d61d2b5583241a661e2a3e7446029b56a6f6f1100f25cb51b2c3df6571542397961d3bb625bc92 WHIRLPOOL b97e47c1d73d505620c26a2eca2e2e91807ebeff19e8820d9be7ea6ddd84c59cd5839846a18a2615ae993a1a6fc22b90e5080cf9d8a72aa412f6b81354e0f284 -DIST NAMD_2.9_Source.tar.gz 8814042 SHA256 9ba6a1f87d4600a62847728d7c223295be214f9a72b5bb62552f74d644108424 SHA512 0644814a2799b560d9dcf807ba0047325bc9f0a26e3831b0465d95180784f038d69595e036daac85d59cd919c92d11a0343031975d99deb1fa3052c8a649bdd6 WHIRLPOOL 5494ccb2ee2f2792fe52ad7dcfe6da9d11453f0a9b0859d30698dea56b00d92fae73465967f82bd708abee5cd4ff50b0a6ffde86451e859e2f515af203e09286 -EBUILD namd-2.10.ebuild 2532 BLAKE2B a0fdc3922a5930ae0ace9c62bdd822f8ae286fa65dec2b5bc28be430a03ca46f91b7991dc91957cfd219198d6913516fdc392aa88cf5230275e7853e854fc650 SHA512 24bcf70033603527cbf3369358cad093bc3a7cc3336a8ccd2363d0caa801dd9d57da39e8cf184c12183d1b93916af758dd980cbfe59569ec7f499b78719304f3 -EBUILD namd-2.9-r1.ebuild 2523 BLAKE2B 94a739af09d0a0dcbb112d6c477a1769e83b6c2d8f7ba6496574e6557fc0a6114e1de6c221ddb0da50c53aeb41c5d79f746368fb7aeab8b538d24836f88e076f SHA512 1c53db643c5cd3224f434d6c1867d986d2242bc461f6cf32061188663f07e611ef04f149657256b308fff69b72e7b636a571357fd8afc0e3d0704dc336220bee -MISC metadata.xml 375 BLAKE2B 0970cbb58c880e8bfefdbda68c046b45adc4325d1fe3bb51aa975f38d06a4e028ce8dc41691eff8e3298f23f2c9b73b83f7c9b26b0d3055437b3d4c0618f5596 SHA512 da64c8ba453ccf6ba5997af7c60bb4873f6f5e0379fc0c3787e77dd46fef945d3c4bd5d06d62a071526324ed6b3e1b7287d9f2e68f141042d12a469ef4e46757 +DIST NAMD_2.10_Source.tar 35287040 BLAKE2B cc48198cd5f0490709899dd1e3c819c2caaf6f160bc5b5d7b77a18fdb63a4b9e365c99169ce8b19eb5ad139d4adb10e350985bc31f43b0abf965cb0d494fd84f SHA512 86ac830446436ad695ae61c2fb5857385f9aee01ee38be648a08d00834fd037f7da0ac4b442fcb81ca9e4ebd328344c296d0d810b8cc26ced8408be488c90b5a +EBUILD namd-2.10.ebuild 2638 BLAKE2B a208ad09f8d8c79311551ad2515eb19fc97cb8987c469f902719178f15c38dc2853d58b0f7469ec45cda864a3af1c2f9d6f160edd1af05def46428179db4834b SHA512 78c1148e6f4e6f161121fbc1942c16e69db4ee6aec849034a72cede783138a0cee536e14b41713146fd6fc586f4e02df41e38abd5565d5071ad5066860b2636e +MISC metadata.xml 376 BLAKE2B 04d5215096c154f2414dc0475c6510a66b6978bd85169311d4b17303bafea893f8e3c2afb83080d72492c5dc82a62b2522ca079e300c917c00e439da932fee68 SHA512 578a3221496eb1470d9fcac9e784f62bb39591448a35a24e1881b5be69473689770bbc928c5779b76bed8c657b1e44d929093e6a39812d135199e37a0e8938e2 diff --git a/sci-chemistry/namd/files/namd-2.10-gentoo.patch b/sci-chemistry/namd/files/namd-2.10-gentoo.patch index e578c131c36d..ffef6dc3ad68 100644 --- a/sci-chemistry/namd/files/namd-2.10-gentoo.patch +++ b/sci-chemistry/namd/files/namd-2.10-gentoo.patch @@ -22,7 +22,7 @@ diff -Naur NAMD_2.10_Source.orig/arch/Linux-x86_64.tcl NAMD_2.10_Source/arch/Lin TCLINCL=-I$(TCLDIR)/include #TCLLIB=-L$(TCLDIR)/lib -ltcl8.5 -ldl -TCLLIB=-L$(TCLDIR)/lib -ltcl8.5 -ldl -lpthread -+TCLLIB=-L$(TCLDIR)/gentoo-libdir -ltcl8.5 -ldl -lpthread ++#TCLLIB=-L$(TCLDIR)/gentoo-libdir -ltcl8.5 -ldl -lpthread TCLFLAGS=-DNAMD_TCL TCL=$(TCLINCL) $(TCLFLAGS) diff --git a/sci-chemistry/namd/files/namd-2.9-gentoo.patch b/sci-chemistry/namd/files/namd-2.9-gentoo.patch deleted file mode 100644 index 583cc52645df..000000000000 --- a/sci-chemistry/namd/files/namd-2.9-gentoo.patch +++ /dev/null @@ -1,151 +0,0 @@ -diff -Naur NAMD_2.9_Source.original/Make.charm NAMD_2.9_Source/Make.charm ---- NAMD_2.9_Source.original/Make.charm 2012-02-29 19:12:11.000000000 -0700 -+++ NAMD_2.9_Source/Make.charm 2013-09-13 21:23:26.000000000 -0600 -@@ -2,5 +2,5 @@ - # The config script will override this setting if there is a directory - # called charm-6.4.0 or charm in the NAMD base directory. - --CHARMBASE = /Projects/namd2/charm-6.4.0 -+CHARMBASE = /usr/include/charm-6.4.0 - -diff -Naur NAMD_2.9_Source.original/Makefile NAMD_2.9_Source/Makefile ---- NAMD_2.9_Source.original/Makefile 2012-04-27 09:53:24.000000000 -0600 -+++ NAMD_2.9_Source/Makefile 2013-09-13 21:30:15.000000000 -0600 -@@ -344,10 +344,10 @@ - $(DSTDIR)/stringhash.o - - # definitions for Charm routines --CHARMC = $(CHARM)/bin/charmc --CHARMXI = $(CHARM)/bin/charmc --CHARMINC = $(CHARM)/include $(COPTD)CMK_OPTIMIZE=1 --CHARMLIB = $(CHARM)/lib -+CHARMC = /usr/bin/charmc -+CHARMXI = /usr/bin/charmc -+CHARMINC = /usr/include/gentoo-charm $(COPTD)CMK_OPTIMIZE=1 -+CHARMLIB = /usr/gentoo-libdir - CHARM_MODULES = -module NeighborLB -module HybridLB -module RefineLB -module GreedyLB - #CHARM_MODULES = -module msa -module NeighborLB -module HybridLB -module RefineLB -module GreedyLB - #MSA = -DCHARM_HAS_MSA -@@ -370,7 +370,7 @@ - - # Add new executables here. - --BINARIES = namd2 psfgen sortreplicas charmrun flipdcd flipbinpdb -+BINARIES = namd2 psfgen sortreplicas flipdcd flipbinpdb - - # This should be rebuilt at every compile, but not on Win32. - BUILDINFO = $(DSTDIR)/buildinfo -@@ -386,7 +386,7 @@ - - namd2: $(MKINCDIR) $(MKDSTDIR) $(OBJS) $(LIBS) - $(MAKEBUILDINFO) -- $(CHARMC) -verbose -ld++-option \ -+ $(CHARMC) $(LDFLAGS) -verbose -ld++-option \ - "$(COPTI)$(CHARMINC) $(COPTI)$(INCDIR) $(COPTI)$(SRCDIR) $(CXXOPTS)" \ - "$(CHARM_MODULES)" -language charm++ \ - $(BUILDINFO).o \ -@@ -402,16 +402,9 @@ - $(EXTRALINKLIBS) \ - -lm -o namd2 - --charmrun: $(CHARM)/bin/charmrun # XXX -- $(COPY) $(CHARM)/bin/charmrun $@ -- - $(LIBCUDARTSO): - $(COPY) $(CUDASODIR)/$(LIBCUDARTSO) $@; - --WINDOWSBINARIES = namd2.exe psfgen.exe sortreplicas.exe --# WINDOWSBINARIES = namd2.exe psfgen.exe charmd.exe charmd_faceless.exe charmrun.exe --windowsbinaries: $(WINDOWSBINARIES) -- - namd2.exe: $(MKINCDIR) $(MKDSTDIR) $(OBJS) $(LIBS) $(TCLDLL) - $(MAKEBUILDINFO) - $(CHARMC) -verbose \ -@@ -434,11 +427,8 @@ - charmd_faceless.exe: - $(COPY) $(CHARM)/bin/charmd_faceless.exe charmd_faceless.exe - --charmrun.exe: -- $(COPY) $(CHARM)/bin/charmrun.exe charmrun.exe -- - psfgen: $(MKDSTDIR) $(SBOBJS) $(PLUGINOBJS) -- $(CC) $(SBCFLAGS) -o psfgen $(SBOBJS) $(PLUGINOBJS) $(TCLLIB) $(TCLAPPLIB) -lm -+ $(CC) $(SBCFLAGS) $(LDFLAGS) -o psfgen $(SBOBJS) $(PLUGINOBJS) $(TCLLIB) $(TCLAPPLIB) -lm - - psfgen.exe: $(MKDSTDIR) $(SBOBJS) $(PLUGINOBJS) $(TCLDLL) - $(CC) $(SBCFLAGS) -o psfgen $(SBOBJS) $(PLUGINOBJS) $(TCLLIB) $(TCLAPPLIB) -lm -@@ -456,7 +446,7 @@ - $(CC) $(CFLAGS) -o diffbinpdb $(SRCDIR)/diffbinpdb.c -lm - - flipdcd: $(SRCDIR)/flipdcd.c -- $(CC) $(CFLAGS) -o $@ $(SRCDIR)/flipdcd.c || \ -+ $(CC) $(CFLAGS) $(LDFLAGS) -o $@ $(SRCDIR)/flipdcd.c || \ - echo "#!/bin/sh\necho unavailable on this platform" > $@; \ - chmod +x $@ - -@@ -466,7 +456,7 @@ - chmod +x $@ - - fixdcd: $(SRCDIR)/fixdcd.c -- $(CC) $(CFLAGS) -o fixdcd $(SRCDIR)/fixdcd.c -+ $(CC) $(CFLAGS) $(LDFLAGS) -o fixdcd $(SRCDIR)/fixdcd.c - - dumpdcd: $(SRCDIR)/dumpdcd.c - $(CC) $(CFLAGS) -o dumpdcd $(SRCDIR)/dumpdcd.c -@@ -665,9 +655,7 @@ - - DOC_FILES = README.txt announce.txt license.txt notes.txt - --RELEASE_FILES = $(LIBCUDARTSO) flipdcd flipbinpdb sortreplicas psfgen charmrun namd2 -- --WINDOWS_RELEASE_FILES = $(LIBCUDARTSO) $(WINDOWSBINARIES) $(TCLDLL) -+RELEASE_FILES = $(LIBCUDARTSO) flipdcd flipbinpdb sortreplicas psfgen namd2 - - release: all - $(ECHO) Creating release $(RELEASE_DIR_NAME) -@@ -678,17 +666,9 @@ - for f in `find $(RELEASE_DIR_NAME)/lib -name CVS`; do \ - /bin/rm -rf $$f; \ - done -- if [ -r $(CHARM)/bin/charmd ]; then \ -- $(COPY) $(CHARM)/bin/charmd $(RELEASE_DIR_NAME); \ -- fi -- if [ -r $(CHARM)/bin/charmd_faceless ]; then \ -- $(COPY) $(CHARM)/bin/charmd_faceless $(RELEASE_DIR_NAME); \ -- fi - chmod -R a+rX $(RELEASE_DIR_NAME) - tar cf $(RELEASE_DIR_NAME).tar $(RELEASE_DIR_NAME) - gzip $(RELEASE_DIR_NAME).tar -- echo $(CHARM) -- ls -l $(CHARM)/lib - -for f in $(RELEASE_FILES); do echo $$f; $(LDD) $(RELEASE_DIR_NAME)/$$f; done - - winrelease: winall -diff -Naur NAMD_2.9_Source.original/arch/Linux-x86_64.fftw NAMD_2.9_Source/arch/Linux-x86_64.fftw ---- NAMD_2.9_Source.original/arch/Linux-x86_64.fftw 2009-02-21 21:16:04.000000000 -0700 -+++ NAMD_2.9_Source/arch/Linux-x86_64.fftw 2013-09-13 20:55:02.000000000 -0600 -@@ -1,7 +1,7 @@ - --FFTDIR=/Projects/namd2/fftw/linux-x86_64 -+FFTDIR=/usr - FFTINCL=-I$(FFTDIR)/include --FFTLIB=-L$(FFTDIR)/lib -lsrfftw -lsfftw -+FFTLIB=-L$(FFTDIR)/gentoo-libdir -lsrfftw -lsfftw - FFTFLAGS=-DNAMD_FFTW - FFT=$(FFTINCL) $(FFTFLAGS) - -diff -Naur NAMD_2.9_Source.original/arch/Linux-x86_64.tcl NAMD_2.9_Source/arch/Linux-x86_64.tcl ---- NAMD_2.9_Source.original/arch/Linux-x86_64.tcl 2011-06-17 14:38:43.000000000 -0600 -+++ NAMD_2.9_Source/arch/Linux-x86_64.tcl 2013-09-13 20:56:30.000000000 -0600 -@@ -1,9 +1,9 @@ - - #TCLDIR=/Projects/namd2/tcl/tcl8.5.9-linux-x86_64 --TCLDIR=/Projects/namd2/tcl/tcl8.5.9-linux-x86_64-threaded -+TCLDIR=/usr - TCLINCL=-I$(TCLDIR)/include - #TCLLIB=-L$(TCLDIR)/lib -ltcl8.5 -ldl --TCLLIB=-L$(TCLDIR)/lib -ltcl8.5 -ldl -lpthread -+TCLLIB=-L$(TCLDIR)/gentoo-libdir -ltcl8.5 -ldl -lpthread - TCLFLAGS=-DNAMD_TCL - TCL=$(TCLINCL) $(TCLFLAGS) - diff --git a/sci-chemistry/namd/metadata.xml b/sci-chemistry/namd/metadata.xml index dc42d24f9afb..2fe5325ae7fa 100644 --- a/sci-chemistry/namd/metadata.xml +++ b/sci-chemistry/namd/metadata.xml @@ -5,7 +5,7 @@ <email>nicolasbock@gentoo.org</email> <name>Nicolas Bock</name> </maintainer> -<maintainer type="project"> + <maintainer type="project"> <email>sci-chemistry@gentoo.org</email> <name>Gentoo Chemistry Project</name> </maintainer> diff --git a/sci-chemistry/namd/namd-2.10.ebuild b/sci-chemistry/namd/namd-2.10.ebuild index d67280b8d0f1..624d3292621d 100644 --- a/sci-chemistry/namd/namd-2.10.ebuild +++ b/sci-chemistry/namd/namd-2.10.ebuild @@ -1,18 +1,17 @@ -# Copyright 1999-2015 Gentoo Foundation +# Copyright 1999-2017 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 -EAPI=5 +EAPI=6 + +MY_PN="NAMD" inherit eutils multilib toolchain-funcs flag-o-matic DESCRIPTION="A powerful and highly parallelized molecular dynamics code" -LICENSE="namd" HOMEPAGE="http://www.ks.uiuc.edu/Research/namd/" +SRC_URI="${MY_PN}_${PV}_Source.tar" -MY_PN="NAMD" - -SRC_URI="${MY_PN}_${PV}_Source.tar.gz" - +LICENSE="namd" SLOT="0" KEYWORDS="~amd64" IUSE="" @@ -25,6 +24,7 @@ RDEPEND=" dev-lang/tcl:0=" DEPEND="${RDEPEND} + virtual/pkgconfig app-shells/tcsh" NAMD_ARCH="Linux-x86_64-g++" @@ -33,6 +33,13 @@ NAMD_DOWNLOAD="http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageN S="${WORKDIR}/${MY_PN}_${PV}_Source" +PATCHES=( + # apply a few small fixes to make NAMD compile and + # link to the proper libraries + "${FILESDIR}"/namd-2.10-gentoo.patch + "${FILESDIR}"/namd-2.7-iml-dec.patch +) + pkg_nofetch() { echo einfo "Please download ${MY_PN}_${PV}_Source.tar.gz from" @@ -46,16 +53,14 @@ pkg_nofetch() { src_prepare() { CHARM_VERSION=$(best_version sys-cluster/charm | cut -d- -f3) - # apply a few small fixes to make NAMD compile and - # link to the proper libraries - epatch "${FILESDIR}"/namd-2.10-gentoo.patch - epatch "${FILESDIR}"/namd-2.7-iml-dec.patch + default + sed \ -e "/CHARMBASE =/s:= .*:= /usr/bin/charm-${CHARM_VERSION}:" \ -i Make.charm || die # Remove charm distribution. We don't need it. - rm -f charm-*.tar + rm -f charm-*.tar || die # proper compiler and cflags sed \ @@ -80,13 +85,14 @@ src_configure() { src_compile() { # build namd - cd "${S}/${NAMD_ARCH}" - emake + cd "${S}/${NAMD_ARCH}" || die + TCLLIB="$($(tc-getPKG_CONFIG) --libs tcl) -ldl -pthread" \ + emake } src_install() { dodoc announce.txt license.txt notes.txt - cd "${S}/${NAMD_ARCH}" + cd "${S}/${NAMD_ARCH}" || die # the binaries dobin ${PN}2 psfgen flipbinpdb flipdcd diff --git a/sci-chemistry/namd/namd-2.9-r1.ebuild b/sci-chemistry/namd/namd-2.9-r1.ebuild deleted file mode 100644 index 869c1ec2f182..000000000000 --- a/sci-chemistry/namd/namd-2.9-r1.ebuild +++ /dev/null @@ -1,104 +0,0 @@ -# Copyright 1999-2015 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -inherit eutils multilib toolchain-funcs flag-o-matic - -DESCRIPTION="A powerful and highly parallelized molecular dynamics code" -LICENSE="namd" -HOMEPAGE="http://www.ks.uiuc.edu/Research/namd/" - -MY_PN="NAMD" - -SRC_URI="${MY_PN}_${PV}_Source.tar.gz" - -SLOT="0" -KEYWORDS="~amd64" -IUSE="" - -RESTRICT="fetch" - -RDEPEND=" - >=sys-cluster/charm-6.5.1-r2 - sci-libs/fftw:3.0 - dev-lang/tcl:0=" - -DEPEND="${RDEPEND} - app-shells/tcsh" - -NAMD_ARCH="Linux-x86_64-g++" - -NAMD_DOWNLOAD="http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=NAMD" - -S="${WORKDIR}/${MY_PN}_${PV}_Source" - -pkg_nofetch() { - echo - einfo "Please download ${MY_PN}_${PV}_Source.tar.gz from" - einfo "${NAMD_DOWNLOAD}" - einfo "after agreeing to the license and then move it to" - einfo "${DISTDIR}" - einfo "Be sure to select the ${PV} version!" - echo -} - -src_prepare() { - CHARM_VERSION=$(best_version sys-cluster/charm | cut -d- -f3) - - # apply a few small fixes to make NAMD compile and - # link to the proper libraries - epatch "${FILESDIR}"/namd-2.9-gentoo.patch - epatch "${FILESDIR}"/namd-2.7-iml-dec.patch - sed \ - -e "s:charm-.\+:charm-${CHARM_VERSION}:" \ - -i Make.charm || die - - # Remove charm distribution. We don't need it. - rm -f charm-6.4.0.tar || die - - # proper compiler and cflags - sed \ - -e "s/g++.*/$(tc-getCXX)/" \ - -e "s/gcc.*/$(tc-getCC)/" \ - -e "s/CXXOPTS = .*/CXXOPTS = ${CXXFLAGS} ${LDFLAGS}/" \ - -e "s/COPTS = .*/COPTS = ${CFLAGS} ${LDFLAGS}/" \ - -i arch/${NAMD_ARCH}.arch || die - - sed \ - -e "s/gentoo-libdir/$(get_libdir)/g" \ - -e "s/gentoo-charm/charm-${CHARM_VERSION}/g" \ - -i Makefile || die "Failed gentooizing Makefile." - sed -e "s@/lib@/$(get_libdir)@g" -e '/FFTDIR=/s@=.*@=/usr@' -i arch/Linux-x86_64.fftw3 || die - sed -e "s/gentoo-libdir/$(get_libdir)/g" -i arch/Linux-x86_64.tcl || die -} - -src_configure() { - # configure - ./config ${NAMD_ARCH} --with-fftw3 --charm-arch . || die -} - -src_compile() { - # build namd - cd "${S}/${NAMD_ARCH}" - emake -} - -src_install() { - dodoc announce.txt license.txt notes.txt - cd "${S}/${NAMD_ARCH}" - - # the binaries - dobin ${PN}2 psfgen flipbinpdb flipdcd -} - -pkg_postinst() { - echo - einfo "For detailed instructions on how to run and configure" - einfo "NAMD please consults the extensive documentation at" - einfo "http://www.ks.uiuc.edu/Research/namd/" - einfo "and the NAMD tutorials available at" - einfo "http://www.ks.uiuc.edu/Training/Tutorials/" - einfo "Have fun :)" - echo -} diff --git a/sci-chemistry/parassign/Manifest b/sci-chemistry/parassign/Manifest index 28f90f4b6207..7f53bcc9a2a9 100644 --- a/sci-chemistry/parassign/Manifest +++ b/sci-chemistry/parassign/Manifest @@ -1,3 +1,3 @@ -DIST PARAssign_Linux_x64_86.tgz 76693208 SHA256 56a322a8825c13cd3e7d90998471c47fb6062e79e2d20108b4fb6ed24664c89d SHA512 63018b0f1e3ce7821cebb90cd59ef5fdfa44b7ce6776956184b55a6247009f5e9df435332772dfa0db7294308c4d930ff0104daf45a46df709fb132dac10bd79 WHIRLPOOL 87ae85974f2a84c3814d261390e011f7ef2a012881df15f0f8ba4a7b5e88992e7932f12566847eaa38958394f7a243a4f0d536375e4640377d6f183e793bccc5 +DIST PARAssign_Linux_x64_86.tgz 76693208 BLAKE2B 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64506db2dbe1eba43dfc07bca233d573646ac553862e8d6eecce7970362047cfd8fdcd18f7c83bb74a0476fde78222ea92e0c2a56b24fba2d71d9c97c563fbb1 SHA512 f7f2e06a77058f7e743a1c1367d40c2683a2aefbf2910a807d1b0a77d19024446f978ec34a8e5187338a7e98b6651592a37c024e8a2ea955d9bd736d47bfeb4f -DIST procheck-3.5.4-README 6585 SHA256 202d5b4d9ffaebdad19c368e6e6fd8ab54744c511609b1c609ef46c21fa0ffa0 SHA512 c6eff94cef9b67fd61884e88fa77ec381553d4dba53f477023738e1e44a6191c4241b14543ee7ecb93b049f16f262db2a09cf5d1a63248057633aab290f1f82a WHIRLPOOL 53a618978a9285e8a8f09c7ebd3e34951a8c1056c0894c1f4e4c11f73ad3127829322c9c7597fc6dea98f1fa4c40552e6caf383eed15aaeef0594cf93887d196 -DIST procheck-3.5.4-manual.tar.gz 517840 SHA256 3c2faa505be05102ccbe23473abdddc1cd4dc87c6b5e74222b7ea5c27b18db5a SHA512 0fa9c7d50b7ca43c626d5261c524166938d3a92be1d02221721bc7ce7e91ac4919e7200b946ce563f9bb696d7dab9588c1d1b31a4d551cafa2f2bce4931a212c WHIRLPOOL 591afad0a534762d654779722b229e3dcb9cc1ed0f9216c443d4872dd7379257638e5cf3ee5844adf15b2ec55d5c5b15ab585ae52ae993678311985642aa8eaf -DIST procheck-3.5.4.tar.gz 522013 SHA256 4923fe5a7b86d5369fd639d0c77cfb866e574f076ec8c52424d746e843a404f4 SHA512 1dd78b53070484fbcdca51001fd147ab13fd5e51b3d1da54fd529531917c31012393751ee514f0c79d579b17a1701dde04f81b1c9ac27b2b835a43fa96785ecc WHIRLPOOL 2732981bdbb5269567019a645b401009bd48d782ab20b4f68bd213a90f7248a9fa3f46ab3a026aa0515a677a99826040d4c3f5464816ed4390b5091a6a98b375 +DIST procheck-3.5.4-README 6585 BLAKE2B c61606848f30728b67d2ab51e0beadec1c30aaa0ca65a68834bff3ed3e3f466e34a0e4b64323e80cce9cee83854650ebe0805abf0509c0a9154bf08e3e0a2d6b SHA512 c6eff94cef9b67fd61884e88fa77ec381553d4dba53f477023738e1e44a6191c4241b14543ee7ecb93b049f16f262db2a09cf5d1a63248057633aab290f1f82a +DIST procheck-3.5.4-manual.tar.gz 517840 BLAKE2B 33c5da5888bcd263e900cf2839f9287373e032fdde234e0375af061ec1c588d1ea5d2718da2a050da8060ba4003748a8fef3ff35b22f424c1cf6a1892aec0fe6 SHA512 0fa9c7d50b7ca43c626d5261c524166938d3a92be1d02221721bc7ce7e91ac4919e7200b946ce563f9bb696d7dab9588c1d1b31a4d551cafa2f2bce4931a212c +DIST procheck-3.5.4.tar.gz 522013 BLAKE2B be6764bc741ec3f868aee349fc7e23608c612758029d0b745c421f40b47c896dd48de84ee7df6d09a64a20695bd5a1ed0a96464e6dcaf44de03da1ae231787f8 SHA512 1dd78b53070484fbcdca51001fd147ab13fd5e51b3d1da54fd529531917c31012393751ee514f0c79d579b17a1701dde04f81b1c9ac27b2b835a43fa96785ecc EBUILD procheck-3.5.4-r3.ebuild 1687 BLAKE2B 3df4bc2e08ae6847995258c2640ecd044ec5bea0bf7817744f28d4a35aa9d8e80de36ded759ef7552f3bf679072883deb395fbf882de64d48ad05bedd1e7abe5 SHA512 abc659dbe5947b16259e05128c5e0607fdbe3c251595b7c5589502c8d6465264bfec243820abec345980d66cfe0b3eaa8183a41aeb2e2a8a81a929b0128364e7 MISC metadata.xml 271 BLAKE2B a446884cbe7a6789e0bcd82759f57bf1ab7b29c5ab714057ffa821c90f799d1fa9f9310c187ee4c3a8ae2476f6ea9d15f368045779f1581e68d02802c61c884c SHA512 3e6e6047a29e07123b81279cae1de17bc4bd4c3d7d8a8d26560114a18185f473d038fc220fa81c7213fa203ce197bad8b1c272d9b7e41cd770a953fa6308ff92 diff --git a/sci-chemistry/pymol-plugins-caver/Manifest b/sci-chemistry/pymol-plugins-caver/Manifest index 2d16fc100f73..5388ae4253d2 100644 --- a/sci-chemistry/pymol-plugins-caver/Manifest +++ b/sci-chemistry/pymol-plugins-caver/Manifest @@ -1,3 +1,3 @@ -DIST Caver2_1_2_pymol_plugin.zip 5698331 SHA256 1dcc61ba13247c05710c4cd68491d0c867ce1d0c11c824be85a516250b2874e3 SHA512 9d28e059bb20f30cf6a0d25ed2eb080dcf9dbb753e9d4578d95e293b31c5cf5fe23d5177dccdb79c192ab3e65bb484b6eb22b26c267637b125404f871e01a52c WHIRLPOOL 33e6893d2114b5ce197fc098d09dfc67ce88f38741e30f1fa574873836c636b5e0c180301849fd98f1f93de5ce51554d2245d0bd615b938d39a802e91e68ebb9 +DIST Caver2_1_2_pymol_plugin.zip 5698331 BLAKE2B e1accfaea6faf1e8c545b88c965228ccb62710d4015ff681506971feba6bd18a4a8b0b6e6caf621c99830ba529a6ec17873cdd3d5e52ad6dc6f67d9457e4eb87 SHA512 9d28e059bb20f30cf6a0d25ed2eb080dcf9dbb753e9d4578d95e293b31c5cf5fe23d5177dccdb79c192ab3e65bb484b6eb22b26c267637b125404f871e01a52c EBUILD pymol-plugins-caver-2.1.2.ebuild 1288 BLAKE2B ce2e6c424bee9349df90469712a966233287dd6c982a1adb00c659eead5d1f00f03a1a95bac7c49b22acd4cae49289e335a41fcc9d525bb4979547a0ec064a9a SHA512 7afa7038ef1fdbdc04120f15ac85a58152429d8f3cd03408c67355ffc6c825e4accc6f503b2522c7702851db421f46f3a28f7d8ce070c02848ba01e24c871d79 MISC metadata.xml 271 BLAKE2B a446884cbe7a6789e0bcd82759f57bf1ab7b29c5ab714057ffa821c90f799d1fa9f9310c187ee4c3a8ae2476f6ea9d15f368045779f1581e68d02802c61c884c SHA512 3e6e6047a29e07123b81279cae1de17bc4bd4c3d7d8a8d26560114a18185f473d038fc220fa81c7213fa203ce197bad8b1c272d9b7e41cd770a953fa6308ff92 diff --git a/sci-chemistry/shelx/Manifest b/sci-chemistry/shelx/Manifest index 6c981e7abb5f..257bf462dbf7 100644 --- a/sci-chemistry/shelx/Manifest +++ b/sci-chemistry/shelx/Manifest @@ -1,20 +1,20 @@ -DIST anode_amd64.bz2 8758937 SHA256 01568fd23b0abe280de7a286b9885182f10f06829f139e46bac75846276f60c7 SHA512 6d9f0e506531e14956a95ed23c4c5ccfabaf79b92feba237923db2731e9f3861163f6039e556a6976d910075558fae120088c4805f09880ff33955eff86cc2e1 WHIRLPOOL af181735822c8d04187f98d06f3be2d563cb3e81571fb81139e384a38b54ca7cc83d10a10564456fffb6eead5ab52833f9002882632634fd5a2f8f450d99ca8c -DIST anode_x86.bz2 4310241 SHA256 520f96803bb0ae7d2e7411187968bb38edadad42f06c22af4f89ee2fd4c95886 SHA512 344e25564d4e0d94764c536625c9be3f4a4b8be74153f17f07254f798e9ebbfe416d069a082906187ba0ec7ab958adf8c7c1ec0afab7a6b146fe02a0b5b88505 WHIRLPOOL 3f349040d1ac9af4323cb091e1b2eb37aff6fe5a1202e65adc9119d1ed141406b5a6792852050061e06253411cb409aebc07c3eb50a26bfa5064ed897ba8da9f -DIST ciftab_amd64.bz2 1409694 SHA256 47c4b4349b2534e5d98d499fb92322bfc0ded5c893a7f6c58c58dbcfb84d1b86 SHA512 7f2439cf5d7afefaf9df0a2e0ab970076ea3f65d1e394aa0a81340e4cae0cbcbd25169a5e490c8269cfdc92fe9d1240d9d0a2949322b48c339f7556173e83428 WHIRLPOOL 68dc54ee8c1f8ab5b84f0857fd1e21afd6e5417c949bcae74e9b76e3e13aeae0318c200f5716f02759a8a9b45089d6810d6bba658f43e7f300a28c7f010c224f -DIST ciftab_x86.bz2 510941 SHA256 d27dd5b21e85f77508f01da71c7f8e2cdadc75169eed362324a697938c02e992 SHA512 185628c888e74e7f7ae69eccb3195d841eab83616449c3358dd3fb49605f6bb9e86e97959cf6d20b424037746b67332ad98b9a41ca2a7fae7e3cbe503bf71127 WHIRLPOOL c121e9350b8bbfcb8cf87c4404e9485b678603943702eebfd07627441c47af95a00d457a49440c8fd65ac8fe625e09e35bd1ce8ead6c12af900dc5fbc56188a7 -DIST shelxc_amd64.bz2 1512555 SHA256 e4da94ecc95a8636b28e50254497a7e519313628106f4fe92869e238f659019f SHA512 11b382c6a8440052ffaf136f5c4695d7f6d10e184334810d0f9b7ff25a782c424ae3509a0bbacabddb152b56e6fdfea7266f9c395d0a39994a8c02bd650625ca WHIRLPOOL f6a7f92278741f19e4a19d4a278588770d50d1d9eac30ba96a285ba10add72613532b1cd5f3ffa28e270e654f252e4cf12939abb1458c70d166569e1dd36fbd4 -DIST shelxc_x86.bz2 614564 SHA256 0e8a4fd16a73f28b77e53225d3d6f1038aae1971dca5910043fa04a5818c6e61 SHA512 5be05948e5b79a44e4ead25deba9b1b08857a4636e4c2f8cdc832f6bb2c2407122adff393035f91ce24b48b025191582b919771052f56ebd7a06aaf66dc82115 WHIRLPOOL 6292394d47017524ecd8d3b809ff87793f718e8e3303e6b221c6b27ae4c7da562cff9945d23dd4112509f34f7c3e83cd4d73728c6ee26ffb7efc7b85a3f19aa0 -DIST shelxd_amd64.bz2 8773698 SHA256 fa7c103c0156ad060e7b66b6f39de8982d660a715a07584d2c1a1853d171d3c0 SHA512 6cb881a937e461edf9c9e7736bfab164e6dc16c4df4291b8dce69b3abf98ce27fadb8079cc5142d2b77eb94ac42c0bb375f3ac21b45f590d535839cc7f8cd762 WHIRLPOOL c4b3b8b7f9d78e15153b4f3678ef8766cdc97cc3c03686b528a40b98d45233612c0104aaa3ec491cd20e787d834965056b10bfa3fc247fc1a4aaee4c0739162d -DIST shelxd_x86.bz2 4406371 SHA256 0b0da50c0907f97e93b46bbd01e63737c007b1b93aa3a79d471621d39557e74f SHA512 68d11983f98984bfaca089b839d38cc9607857d2bb6d2cff306d9efa2f34ea8d741220eb01a99d2ecdd832dde1794b4bb228ceae3fc0e87e3210dfa491e6a402 WHIRLPOOL 6cb3343aa878a5703a65b93f6dd1255ebc668afad92117441a785a91dd39d1736a10411655b08da7ff714bed7ed423e30555b8436c9a7df9f49f8ea3351f651e -DIST shelxe_amd64.bz2 8302570 SHA256 fac87ba983a454cb32f76076318dabbf6ae2f98415cf2428a0154765b3401915 SHA512 cbafde59ba1d9943f74e8c66cc012168f1f8062e978d2f9103adb4d130c9a024e3e8b170af5b5207168f23db4742b4a99ce3b550e897c59e1dfd3631d7d6c6ab WHIRLPOOL 0007c53e4a9bb8e546b625a2565a9e5d01d60b35c8565e34ab753033c16f1c1b61cdfbe2129ff4981cb595cf637f08342b0d77c22ea8836e08df6b671ac6d2e4 -DIST shelxe_x86.bz2 4177233 SHA256 b2bff78b9b51b72e545d23ce76f6b93e016c2cd583aee9d7236b99fd1722d280 SHA512 67d56beef36918ec6b5d86109d2e61a0dc5a34ed73174ba5cdf96e0db8d8d41cdf20bffdee138f6f177e30a9df32aa1494c18221139538e5c778d61d5f558c51 WHIRLPOOL d8e4be4f7b7a313f5586c23a3d5c94dc2b177b36b47025219c5d54985fd41d7ffb902db4d2a1060ae0ce0448d59032782309029096449af76b5df6253db52e81 -DIST shelxl_amd64.bz2 2985452 SHA256 7e7bf32d5dcfa0e8bb0390add8dcc1d0e722012188dd3d124f255ed9e9c13208 SHA512 0c5b5e4bf6041399221a2f321a3e8f3def952a6eb9af26652a8af04c4bedf5cb98aa529c11e84da20c061028701a49af960135ac697ae157609ca8ae8acde219 WHIRLPOOL a5f7a2e118d5582cafa76c1abea86b614e48e1e8ed217e1280b770124eb16f247ef668112031b5a7660af098b51be94b2f53d0fb506dc090e1615ec7204ce712 -DIST shelxl_x86.bz2 1610822 SHA256 b7a28fb6318cb16948c06e7aed8ee7a7c6a5d3a8863c57f657fbbd2007b25955 SHA512 deaeed15676f294088ce07dc3760e2eecca503f87a537e3e9598d1de6102e82f25b2bd46c080e5140a35046847c345845a88adf159197be640ba52b1a790cfec WHIRLPOOL 5998b3909232016e4cfb99a112090e07a926e36442d47e6c7aa09d50d830eeeb21d2732cd962d01672b76b120cca51df400532805e971ee6b2a6c9d13692582d -DIST shelxs_amd64.bz2 1606403 SHA256 9b180574ee2b828123f622d42e307778d8d4a1f4c32d5741ba065ad2b7751e60 SHA512 3d26e8bc10f0004ee52a564be567db0cdf41f7d05d457e66c12e117bb82550066bf7333830f8dcd56ea987de677f365db25a51f4c22efda9c911fda03d49086e WHIRLPOOL 7e02ede8528e752f1a01d3109064914d42d6c83e4d8c0e901e13e9e1345160d087f35568d1f7ff7f61f54fdbf838a6e8b2d8ab9482df27fd561cc7f4dad610d7 -DIST shelxs_x86.bz2 746352 SHA256 3eea6b363f7e2ff90965a01b65f3aa5d4ac5642a1528a7824c3ea8398c272d2b SHA512 9ecf1e8da8df2280a1982c210dea5418004492047fdd3ab004eade39d247199f3c757d00a56d179eadc7a1ce434c8019c39af865b641ae3c370a8461a950140c WHIRLPOOL 5120481aefcaa3871e61dc2f9230095506386de83741e3e5fc7cdf29f2835509ae369276b55252b981907a76b59f3829e0c4ab1738605e5c6f72ff58401157d2 -DIST shelxt_amd64.bz2 8862210 SHA256 519c695b8f6c0425f2635dc021be8138ef029761a43d64133a5d736cccc031b8 SHA512 49cb7b5e9f3a1cab153dd04ce4ab424f3331790df2e4acf0584263edcd28e20f6225a6f48161469e1569ae0d6eeed5389db0c9a66d7853ea34b798364a346e27 WHIRLPOOL 11a821502863cddedb14377f8881b7a7931970f8ce9da668106a5dee6e7113fa6f41f69c9381e7ea4c93aa21a6c3498ba4c836df9289db7295c54e6267faa92c -DIST shelxt_x86.bz2 4441488 SHA256 ca64d86718d306d8d5269f0d7ca92fc2921f1a199afa1bc181b5f6cc339a012c SHA512 83027d24d58863030a284e5e573df27db760ce61f7c8d7da5741471bd814256ae5ade1316aa3e262a54c4c4fb6ad231dacfcef043c3279d381d2969e0b73dd14 WHIRLPOOL ec91f0e6d192507854cbcc2baa751c17185df70f2220eab8f487a1db082bc055aefe2b5f437e144fbbf60c01f1d735057c07ff2f71ab77c88c13a1a19ffe7a65 -DIST shredcif_amd64.bz2 1371002 SHA256 eddf6237b70114bab99845c228d5ba6240a2a9e019bf59678f2222e2ddc52cfe SHA512 5846f7a14936ae4c710ead752a83dd8d73bbcd6037c38f2c566156f87678a84c1db3fd5d0a6e3c6dfb04a2ed7c96c8497c36faaf2bf2ca99ace74f98152ba3be WHIRLPOOL 11b82847cd4f3529c7708de7d0ae7da4e741a58da58ac01954e7136ca2f02c599a81485c70ff36916cdce97e86ab67efe61ec544231db9d7ad903edfd68e232b -DIST shredcif_x86.bz2 461442 SHA256 aa06e0b3f2b7face7f486029d4c83e9fd591c46b2a41db6ce8e3014f6a713d78 SHA512 8097b6285d3e9269989663e52a4d903b279f9cdd0a5650c91d605dd324c62361de619c0873968a3178d3c125f59a9b448465a09542e2582779fbb8cca1f9ebf7 WHIRLPOOL 37f9410d1fcf2881b3e83b752d5170859ebab2063da8124715d5f627a83b9ef2ba4694a2a77a213e8c1b92d474304a7aea83b1f03111fd2abbb3fcd13d054052 +DIST anode_amd64.bz2 8758937 BLAKE2B a5ef69be49149d7dddaa99a51f435a22df6820a8a8c9b641335bc5fa4b969e470454523b6cc34fe64d03f447af946cdbdad22ef6784a49dbb2261650c221c9b5 SHA512 6d9f0e506531e14956a95ed23c4c5ccfabaf79b92feba237923db2731e9f3861163f6039e556a6976d910075558fae120088c4805f09880ff33955eff86cc2e1 +DIST anode_x86.bz2 4310241 BLAKE2B 5220c6b0438a08af27cc0094178f0dfecd3b528c324f79f3dedffda40facd502cbe8d65c8bd2338f9246c8eb215d22e2cfddbe2117bc8e6320573a8fa39db82d SHA512 344e25564d4e0d94764c536625c9be3f4a4b8be74153f17f07254f798e9ebbfe416d069a082906187ba0ec7ab958adf8c7c1ec0afab7a6b146fe02a0b5b88505 +DIST ciftab_amd64.bz2 1409694 BLAKE2B bfc56d37954f3571eb0419e525c79576023b54fee40db9d29fa9e1b7d1145c13dc73de362e16cffdb6cba1cb28960c0fd0d5fca5abeeb8bd6f953d5ad17d803f SHA512 7f2439cf5d7afefaf9df0a2e0ab970076ea3f65d1e394aa0a81340e4cae0cbcbd25169a5e490c8269cfdc92fe9d1240d9d0a2949322b48c339f7556173e83428 +DIST ciftab_x86.bz2 510941 BLAKE2B eaf458bb7123ca2e8d6c7525f5796f1062b4b94974754e4e340caf5c580ca4ca6b714090c21a7371bbe15d777e48853e9a6b96da8e5155f11ecbeba81593f9f0 SHA512 185628c888e74e7f7ae69eccb3195d841eab83616449c3358dd3fb49605f6bb9e86e97959cf6d20b424037746b67332ad98b9a41ca2a7fae7e3cbe503bf71127 +DIST shelxc_amd64.bz2 1512555 BLAKE2B 6bdddb74b719f73d1225ca2956e3ef86ac38fcdeebf3b56899d4c73213295d60efb5526a8fb2b9db7c2891ff36a83d596d9416d6e2f4be2e86cc031637666100 SHA512 11b382c6a8440052ffaf136f5c4695d7f6d10e184334810d0f9b7ff25a782c424ae3509a0bbacabddb152b56e6fdfea7266f9c395d0a39994a8c02bd650625ca +DIST shelxc_x86.bz2 614564 BLAKE2B 8b45373bf8392cea08c816acda7af0ba4a3ad776d88cafe8ca1cd4ba3c6a241493b5f403e48c5526458a7eb93de808c6bdeb04da8eed801f149eb19f6c95adae SHA512 5be05948e5b79a44e4ead25deba9b1b08857a4636e4c2f8cdc832f6bb2c2407122adff393035f91ce24b48b025191582b919771052f56ebd7a06aaf66dc82115 +DIST shelxd_amd64.bz2 8773698 BLAKE2B 4cdd16ab39c2be996f282d70b247abd391de59814c3330d46ce446bcf8a9dee5464d95c74ee87b087d3ebb2227c5b7c8b4f852a5f09db8a55460a4656ffa4d0e SHA512 6cb881a937e461edf9c9e7736bfab164e6dc16c4df4291b8dce69b3abf98ce27fadb8079cc5142d2b77eb94ac42c0bb375f3ac21b45f590d535839cc7f8cd762 +DIST shelxd_x86.bz2 4406371 BLAKE2B 78f083b86c05b2081d80310d1a10ad24a2c1ad581423fc32cb7e83dba482076143d3bf23edd2a109d70d3ae5b615563a10fd8f6fbdf7e85bfafee5d123eaae94 SHA512 68d11983f98984bfaca089b839d38cc9607857d2bb6d2cff306d9efa2f34ea8d741220eb01a99d2ecdd832dde1794b4bb228ceae3fc0e87e3210dfa491e6a402 +DIST shelxe_amd64.bz2 8302570 BLAKE2B 7a662c9d1ac3ab73d6266b763b5bab2ce9d865d4dfc742485032406711e4ecbf5e3b733cdaf0726111d30b39d2390ae976fcc69187a721cdba5987d82b4e213c SHA512 cbafde59ba1d9943f74e8c66cc012168f1f8062e978d2f9103adb4d130c9a024e3e8b170af5b5207168f23db4742b4a99ce3b550e897c59e1dfd3631d7d6c6ab +DIST shelxe_x86.bz2 4177233 BLAKE2B 48ad55d206c9e6ff40c136bce798b6b0ef2d3b17468911b0ecaa5a2e668972c7b46ea6a4f5408b016d298fd17ef7122e3b32238feb095dc7e2e251e7bb6cdcec SHA512 67d56beef36918ec6b5d86109d2e61a0dc5a34ed73174ba5cdf96e0db8d8d41cdf20bffdee138f6f177e30a9df32aa1494c18221139538e5c778d61d5f558c51 +DIST shelxl_amd64.bz2 2985452 BLAKE2B cd5e64c07a302735c771a7fa29612d75134bedf9af443be6218632bcd11f33ba355e67a0b690b2d66bf4014d629d4928146d28d536f672630d7f7286dbee0577 SHA512 0c5b5e4bf6041399221a2f321a3e8f3def952a6eb9af26652a8af04c4bedf5cb98aa529c11e84da20c061028701a49af960135ac697ae157609ca8ae8acde219 +DIST shelxl_x86.bz2 1610822 BLAKE2B 027c1f52175446a6952695df2c9869cb4d38813e92e782920d75e40299f1883f562d465bfe52b8eeab6de9aa2e516d3651ff8fbe716e4646a8250c33ae4d7cc8 SHA512 deaeed15676f294088ce07dc3760e2eecca503f87a537e3e9598d1de6102e82f25b2bd46c080e5140a35046847c345845a88adf159197be640ba52b1a790cfec +DIST shelxs_amd64.bz2 1606403 BLAKE2B adaf69454a60832daa27f73801f7fe43e704231c9a6a0af9eea45b4a04a0dc239a5962f9fc1fd686cde6ec9797241c8172fde5233b731cee2829ba1bfdcc16de SHA512 3d26e8bc10f0004ee52a564be567db0cdf41f7d05d457e66c12e117bb82550066bf7333830f8dcd56ea987de677f365db25a51f4c22efda9c911fda03d49086e +DIST shelxs_x86.bz2 746352 BLAKE2B d391c82a284321e23c150ebeeb2d8b6ce26c18b2ba208431cba72d5369e932fc712eee21169c95fd3bf28296c235cf7193cef28861237efc4d58d18614a23258 SHA512 9ecf1e8da8df2280a1982c210dea5418004492047fdd3ab004eade39d247199f3c757d00a56d179eadc7a1ce434c8019c39af865b641ae3c370a8461a950140c +DIST shelxt_amd64.bz2 8862210 BLAKE2B 9ed422923af05a21933ebc53fd15223291e6672a8c0b56757201d20c555eec60f98c4d94d7230e588083bf00a1775d447d9de24be13a99221b045109239efd17 SHA512 49cb7b5e9f3a1cab153dd04ce4ab424f3331790df2e4acf0584263edcd28e20f6225a6f48161469e1569ae0d6eeed5389db0c9a66d7853ea34b798364a346e27 +DIST shelxt_x86.bz2 4441488 BLAKE2B 5b51964c24a24af6c96acca547efad75b95a7896550bf3e8de6a6811f6879a28ff4f5cb1f08a01fd022774a6ea1f4e13c98529eeebfc6548de4879faafff2f3a SHA512 83027d24d58863030a284e5e573df27db760ce61f7c8d7da5741471bd814256ae5ade1316aa3e262a54c4c4fb6ad231dacfcef043c3279d381d2969e0b73dd14 +DIST shredcif_amd64.bz2 461442 BLAKE2B 547335d13a57a22693f361183bac8d8f9564202bb219b8a419949ce2d9487f940fa5d5b840c2b2fe50adce0b0ff79a780e660757373d27d888b1bb545f9bf900 SHA512 8097b6285d3e9269989663e52a4d903b279f9cdd0a5650c91d605dd324c62361de619c0873968a3178d3c125f59a9b448465a09542e2582779fbb8cca1f9ebf7 +DIST shredcif_x86.bz2 461442 BLAKE2B 547335d13a57a22693f361183bac8d8f9564202bb219b8a419949ce2d9487f940fa5d5b840c2b2fe50adce0b0ff79a780e660757373d27d888b1bb545f9bf900 SHA512 8097b6285d3e9269989663e52a4d903b279f9cdd0a5650c91d605dd324c62361de619c0873968a3178d3c125f59a9b448465a09542e2582779fbb8cca1f9ebf7 EBUILD shelx-20141228.ebuild 1093 BLAKE2B fef0b656bffa33a4be13e34d101b1e55f4eec5d6ae790971a6919e0a753f3c28783e0b6480641d9815204fd84d1b4d2495dd0538746a021189dec6d4503918e3 SHA512 4e35de5c607eebb0484e8144cb34e03040efe733e7fbeace80d99efca1aecca1a13a1bfe1a01c6ad20d7f7c0e14a318603dc839ef5172752920c759325119919 MISC metadata.xml 271 BLAKE2B a446884cbe7a6789e0bcd82759f57bf1ab7b29c5ab714057ffa821c90f799d1fa9f9310c187ee4c3a8ae2476f6ea9d15f368045779f1581e68d02802c61c884c SHA512 3e6e6047a29e07123b81279cae1de17bc4bd4c3d7d8a8d26560114a18185f473d038fc220fa81c7213fa203ce197bad8b1c272d9b7e41cd770a953fa6308ff92 diff --git a/sci-chemistry/tinker/Manifest b/sci-chemistry/tinker/Manifest index 35f7a27e12aa..cf7d425fd094 100644 --- a/sci-chemistry/tinker/Manifest +++ b/sci-chemistry/tinker/Manifest @@ -1,5 +1,4 @@ -AUX 7.1.2-openmp.patch 400 BLAKE2B e5baaa263b5312b18fcaf22f911b80012ee61b85024db009b71cee79912249a31bf5734ab6904a576f2c67c38f60624743b6b47c5ef5f0eb33c6c49c7f5c981e SHA512 1af405acc753d602501589725374e88964a55e5954cb77eb1f3c0156fa73936552be9ce5fc4f36c855dfbd4043f12749dfc95aa9b946d80d0e5e6e8100e84ad4 -AUX tinker-7.1.2-build.patch 360 BLAKE2B 89fb7ec8c8d02ce43b9882afe7b33fef86118e381be44395fc60d36ecbda69fc39eb9390efedb5ed010774a471be81e2eae9e4322f71a7d24f4b14d7840e4410 SHA512 b20a4d8e75a781cd9c769dd0b5ae4e1039ea54d7ac61fc3605543b796afa2f4f3957be439f338fd47090a17e9153a466c2f76b364f4d9b7a2705b746f6cefbd3 -DIST tinker-7.1.2.tar.gz 28468683 SHA256 fdee18915cff9044fd083bb2271083c221db6d05de2cb98fc111b136e23e6899 SHA512 4524259754b0f11d7e2e8997ebd85eae7d28f8dbb1edb2d9818aa0a96640de0049aa4937236694f1a11743dee187d612f775b233a73cc96c2708d620457a7dc2 WHIRLPOOL f3e29eaf67d25ae6d4f3c4e3546798e66bd626929fddd45b9d1ff9f2143cd57dcc5079226f3ceaa142f4c6a168c4a150a51be1336a5ca13384338795ef3a6d46 -EBUILD tinker-7.1.2.ebuild 2275 BLAKE2B a1dc5de1493731ba73d38f5f66c7318985bb1be56e09f52de1d3242b95e1dbde7242faa8427762999881371057aac64930f8f01a9a7a6c9f61ae723d418b7a5e SHA512 d617f08cf03f35e78f0561214dcc0c7c4af0fedce69214a302ca8dee2c2a3577ba002671f4cce8a86cb3ca76084ce99eff6a2e90ecfc940c7aa56fd588edda2c +AUX 8.2.1-openmp.patch 559 BLAKE2B 254a7b5d5d40bec938420527ad77e4ec96b9cee50392137eab3370df35a00a00b9488b5cd95c4e3c52d4904a6093216a782f52c82c2141cd913c6cf10f2fbcc7 SHA512 799b488ddba95ec75c2f5f97bdba10e297cad12d23239354b7d66af47b4e9ef1496e8f6b8a7446f85827a8303105af7552616bc865a4e8114b89d3e6e3302ed6 +DIST tinker-8.2.1.tar.gz 33015410 BLAKE2B 0b7c94662248761459cf9d681056f5cf9c4d669a790a522f23f800bf355235f6a9f392e008b13d14cf1e17d9725abb6512077c24ff7772108d69c9cf35b43e6e SHA512 5039078781d1ce226456882dd95ad15715f1e91829d26efcdb29ceedc213973883699eb6710b0a162a74208809305b7fee734b175139e6df63d0460fe5751ae7 +EBUILD tinker-8.2.1.ebuild 2247 BLAKE2B ae2b50605eb32edd748884e731dffad61b56c3c4e620cb6db071b032045591cf40ac9ce086e5be8c275f26f863760505edd4cf095233d944a3abb5963aa55e6c SHA512 276d8152b83db1709590fc7be373da5732c81413945f61cccff8135025ff367985f238ae4569a561556a91b748826a3b910ca47cc2d011863bcd5002de514a79 MISC metadata.xml 265 BLAKE2B d5a98b9309829a0486c4b8a4336c2d24a0fe34e926d52afd0cc87e16fcc887ca4c18851e58afb33866823121fa8f221a90e0d726dbd85552a4caf66cf03b7b4a SHA512 470f6c178e88c4e83afa46d5e901a45fc2427a779ae832df7fa2d6e25e9e8b4ce77cd3a8fe191e6242d6df3b673f0de6b4f90f1e147aa8b8dd566f18163cc73a diff --git a/sci-chemistry/tinker/files/7.1.2-openmp.patch b/sci-chemistry/tinker/files/7.1.2-openmp.patch deleted file mode 100644 index f3e8e2932b4a..000000000000 --- a/sci-chemistry/tinker/files/7.1.2-openmp.patch +++ /dev/null @@ -1,15 +0,0 @@ -diff --git a/source/initial.f b/source/initial.f -index 835f228..4099c74 100644 ---- a/source/initial.f -+++ b/source/initial.f -@@ -73,8 +73,8 @@ c - c - c Intel compiler extensions to OpenMP standard - c --!$ call kmp_set_stacksize_s (2**28) --!$ call kmp_set_blocktime (0) -+! call kmp_set_stacksize_s (2**28) -+! call kmp_set_blocktime (0) - c - c values of machine precision constants - c diff --git a/sci-chemistry/tinker/files/8.2.1-openmp.patch b/sci-chemistry/tinker/files/8.2.1-openmp.patch new file mode 100644 index 000000000000..17199f9d4cfa --- /dev/null +++ b/sci-chemistry/tinker/files/8.2.1-openmp.patch @@ -0,0 +1,18 @@ + source/initial.f | 4 ++-- + 1 file changed, 2 insertions(+), 2 deletions(-) + +diff --git a/source/initial.f b/source/initial.f +index ff6ed54..9769a81 100644 +--- a/initial.f ++++ b/initial.f +@@ -85,8 +85,8 @@ c + c Intel compiler extensions to OpenMP standard, 268435456 bytes is + c 2**28 bytes, or 256 MB; comment these lines for other compilers + c +-c!$ call kmp_set_stacksize_s (268435456) +-c!$ call kmp_set_blocktime (0) ++!$ call kmp_set_stacksize_s (268435456) ++!$ call kmp_set_blocktime (0) + c + c values of machine precision constants + c diff --git a/sci-chemistry/tinker/files/tinker-7.1.2-build.patch b/sci-chemistry/tinker/files/tinker-7.1.2-build.patch deleted file mode 100644 index d6ef484b19a4..000000000000 --- a/sci-chemistry/tinker/files/tinker-7.1.2-build.patch +++ /dev/null @@ -1,17 +0,0 @@ - make/Makefile | 3 +-- - 1 file changed, 1 insertion(+), 2 deletions(-) - -diff --git a/make/Makefile b/make/Makefile -index 61d5037..9be384a 100644 ---- a/make/Makefile -+++ b/make/Makefile -@@ -719,8 +719,7 @@ EXEFILES = alchemy.x \ - %.x: %.o libtinker.a - ${F77} ${LINKFLAGS} -o $@ $^ ${LIBS}; strip $@ - --all: -- ${EXEFILES} -+all: ${EXEFILES} - - install: - rename diff --git a/sci-chemistry/tinker/tinker-7.1.2.ebuild b/sci-chemistry/tinker/tinker-8.2.1.ebuild index 46a8d2feb0f2..5dfafe90e1f4 100644 --- a/sci-chemistry/tinker/tinker-7.1.2.ebuild +++ b/sci-chemistry/tinker/tinker-8.2.1.ebuild @@ -1,7 +1,7 @@ # Copyright 1999-2017 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 -EAPI=5 +EAPI=6 inherit eutils flag-o-matic fortran-2 java-pkg-opt-2 toolchain-funcs @@ -35,9 +35,9 @@ pkg_setup() { } src_prepare() { - sed 's:strip:true:g' -i ../make/Makefile - [[ $(tc-getFC) =~ "ifort" ]] || epatch "${FILESDIR}"/${PV}-openmp.patch - cd .. && epatch "${FILESDIR}"/${P}-build.patch + sed 's:strip:true:g' -i ../make/Makefile || die + [[ $(tc-getFC) =~ "ifort" ]] && eapply "${FILESDIR}"/${PV}-openmp.patch + default } src_compile() { @@ -75,7 +75,7 @@ src_compile() { emake \ -f ../make/Makefile \ BINDIR="${S}"/../bin \ - rename + rename_bin } src_test() { diff --git a/sci-chemistry/xdsstat-bin/Manifest b/sci-chemistry/xdsstat-bin/Manifest index 1ff1ff810bde..72ba3ccee7cb 100644 --- a/sci-chemistry/xdsstat-bin/Manifest +++ b/sci-chemistry/xdsstat-bin/Manifest @@ -1,4 +1,4 @@ DIST xdsstat-linux32.bz2 235255 SHA256 366b9565a172b9ab756e1669a353003c74b9e0341bba5b1822fef775a35e1290 SHA512 233c25b60501f794887a09960e2e8377c0443bce661c769624d8afcde288b58968b3406cc7e1bb02f0de010f4e6555ef0641fd5ebcfdd5f6396ec21a22c32985 WHIRLPOOL a304fd23eaf3d8292f3bc414e6bc1c1b5895590b4235e637d357a4a462c91939195fd99764b4233775f1dd6d65601391d4c6328fe578734dae498e6f382e96f7 DIST xdsstat-linux64.bz2 256555 SHA256 45408d09cb13ec664e863863ec66a1cece204308e074f29f54f922d804f042f9 SHA512 d5b3043bec30a17f6960308d642a3721f7a73bc851a71ec28a813b5a98f2de4f215d3603e8da4a9bcb949cfa15030c3eac108bc5549ebdef6737885e60dbd626 WHIRLPOOL 5d81ba5998e6c527978f10e0aa2ded7c8ada53beb6340ba592d74b34a64a81e17c0184d101dc7698d4771458d0e27559fb857fd329be8eb95a4f75136f549790 -EBUILD xdsstat-bin-140225.ebuild 699 BLAKE2B 4914accd4c94e3204d9010f3c713a6e3212a116094963f94b26b991c436a0514facde9b4954eb82967a23fcdcdea5897ce3f585c7c7dc07544604bc0d5b1178c SHA512 2bf1fff52d13808c572730a81b07bc8ee60d83acdd1b51e86ef30e9ba0a8a20694ca50a724d3d765aec7fc2e46cbb306ec926564f2821601bc95991b4a169a6a +EBUILD xdsstat-bin-171217.ebuild 699 BLAKE2B 4c07388295f1ff2eee05a315ded1aa65c5b6e15702d18a89110d45f67a637dce498ff13d6b1217b19045d2cddd537012a47726ae7a378322fae1e08a510faff9 SHA512 3ddf37bb9d00fc624c43a5294bd38ce4adeb245e88152b1522134d0fe6fc8300372290d0935b65504a5784ea9d35bcc510626a5e6d280349121dcaa55086dfee MISC metadata.xml 271 BLAKE2B a446884cbe7a6789e0bcd82759f57bf1ab7b29c5ab714057ffa821c90f799d1fa9f9310c187ee4c3a8ae2476f6ea9d15f368045779f1581e68d02802c61c884c SHA512 3e6e6047a29e07123b81279cae1de17bc4bd4c3d7d8a8d26560114a18185f473d038fc220fa81c7213fa203ce197bad8b1c272d9b7e41cd770a953fa6308ff92 diff --git a/sci-chemistry/xdsstat-bin/xdsstat-bin-140225.ebuild b/sci-chemistry/xdsstat-bin/xdsstat-bin-171217.ebuild index 57619af5341b..e21153211331 100644 --- a/sci-chemistry/xdsstat-bin/xdsstat-bin-140225.ebuild +++ b/sci-chemistry/xdsstat-bin/xdsstat-bin-171217.ebuild @@ -1,7 +1,7 @@ -# Copyright 1999-2015 Gentoo Foundation +# Copyright 1999-2017 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 -EAPI=5 +EAPI=6 MY_PN="${PN/-bin}" |