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authorV3n3RiX <venerix@koprulu.sector>2022-07-09 15:43:36 +0100
committerV3n3RiX <venerix@koprulu.sector>2022-07-09 15:43:36 +0100
commit2719f73b6813d11d13a9650cdd2ab8ec6e69385d (patch)
tree8c816148bcbd22757d892089c989ae614eae4f5a /sci-chemistry
parent0f558761aa2dee1017b4751e4017205e015a9560 (diff)
gentoo resync : 09.07.2022
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/Manifest.gzbin10367 -> 10369 bytes
-rw-r--r--sci-chemistry/dssp/Manifest2
-rw-r--r--sci-chemistry/dssp/dssp-3.0.11.ebuild2
-rw-r--r--sci-chemistry/gromacs/Manifest24
-rw-r--r--sci-chemistry/gromacs/gromacs-2020.4-r1.ebuild2
-rw-r--r--sci-chemistry/gromacs/gromacs-2020.7.ebuild2
-rw-r--r--sci-chemistry/gromacs/gromacs-2021.3-r1.ebuild2
-rw-r--r--sci-chemistry/gromacs/gromacs-2021.5.ebuild2
-rw-r--r--sci-chemistry/gromacs/gromacs-2021.9999.ebuild2
-rw-r--r--sci-chemistry/gromacs/gromacs-2022.1.ebuild5
-rw-r--r--sci-chemistry/gromacs/gromacs-2022.2.ebuild (renamed from sci-chemistry/gromacs/gromacs-2022.ebuild)5
-rw-r--r--sci-chemistry/gromacs/gromacs-2022.9999.ebuild5
-rw-r--r--sci-chemistry/gromacs/gromacs-9999.ebuild5
-rw-r--r--sci-chemistry/propka/Manifest6
-rw-r--r--sci-chemistry/propka/metadata.xml1
-rw-r--r--sci-chemistry/propka/propka-3.4.0.ebuild (renamed from sci-chemistry/propka/propka-3.2.0.ebuild)30
16 files changed, 44 insertions, 51 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz
index c1214fd5f9a1..e4eabac8d673 100644
--- a/sci-chemistry/Manifest.gz
+++ b/sci-chemistry/Manifest.gz
Binary files differ
diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index 5aabd1d0280e..64cd7911ebb5 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -6,7 +6,7 @@ DIST dssp-3.0.11.tar.gz 168085 BLAKE2B e1c42fd22cfb2287f10b5deae48b56a4583d4a677
DIST dssp-4.0.3.tar.gz 122872 BLAKE2B f88c330370645b4bd4e89656ad676e443a33c38d7882145bc60e329f823eb761777713df6c7ae44550d10bcd22256ac16db358587cadd39efd6268dd869655d4 SHA512 31ca481b097c9c59f407e35eb8175638b5e4102991007090b5b4ea30db0b076f97cff45d0aa9ae01a826f7673258464b572d68714f00e210db26020cea4be094
DIST dssp-4.0.4.tar.gz 122183 BLAKE2B b12702c482ad58f09d96e9c85759ebe9455961978277e25d1ee554d07a643b342acf2dbcd3c18d539f058b970c24888a43827b6bac47899ca61bf96dd0c2723b SHA512 e0646bb20f10617174b0970c549fd44990750f46f7a550e4c3bc89487a8d3b7a175d53b2abb0684f9d96203a23d64ae67c6c10688fd4f5f59ff19995f9149ef8
EBUILD dssp-2.2.1-r3.ebuild 880 BLAKE2B 057a862fbc9ff19fbf487f9df0faf661a7db5406c28e6cb91d5e38dfaa2e9d24eead9ba78d4e92b5b5022e2be5c69b30ff6c386aeac8160062b5f7f35b449889 SHA512 747ac74fd95400759569e657db85c3dc5c5a7ee0753761bc4b4927f4d119d168f0d5dcbd9ca16f37486358e7117e773d812034fb07953aae88c63ac1e706f8f7
-EBUILD dssp-3.0.11.ebuild 878 BLAKE2B d5fde34262354a63878eb341748a811479a52edda082c72128853577a19b87c091063280ebadca147c9c9080823faa7425e3d9c7cdd47ec7554c299b8b8b8a58 SHA512 07e7c8781c6cce5c49331fdf0bee416aa058e654e6b132db4ddee3f9c063579e8579311c427552e429ada93d251810e530334f8502bc689a9d90a6fe9f367e7e
+EBUILD dssp-3.0.11.ebuild 885 BLAKE2B 9df4b5a766e4c9ef6ba85621b09e462435fa61262cbd50c5f4a80ecd64f8b0cf1ef9cf20cbcddedd1a561d1fc12f326e91335dffabd5a6d25c48b8f9b7fa9696 SHA512 c144ed0aacfa01cd32ae799da4993ac776e1fca1381acf67da346fc79657bf9fc71d437c17c140a6f7bf1e94ef93ae24b8859c04c433447a9eabc2d308ad0722
EBUILD dssp-4.0.3.ebuild 778 BLAKE2B f550bf8d7063b30f4fe15641b92e2973288c6da16317e74a041ada8e043133e4d6d6e125882d05f0e063b60ab421f039442951f9c92b9778e5435d82a512ed8a SHA512 7d853da1d0f4a1a623acd3e801fb8fcc3c50a4006cf75a8c999d8f6aec985c3fe92d8aae50bde624d67ddb559ae7bb49d701de36800ae5d2f8abaed523f0888d
EBUILD dssp-4.0.4.ebuild 782 BLAKE2B dacbb5b4b6e1e3fa5ff602a54fa9ba42b75bd9df587847b776e67483ac4e2b0baf4b143e832bdd268080eddb6343868ce80a78a119f84709cbad1a525808c847 SHA512 9d2c3268ca704d2b71c268b5179e9055d03acacb7a1f0b8bc20e956a1c4945f9489958ae7e0db2568f49f35954d93ee5a2c8fc389038d60b214879f5c691dd87
MISC metadata.xml 217 BLAKE2B f8189b02494f180dac078dcd5c275d3c795f20f360f8b172c66065a2d937e396b24b8631bba4cd8567d60285ce89fc77b9539f2233bf33899c820613c48c33ba SHA512 f0c9e5b3d281fecd21b1e23a6f44c94c1c0b3220de46a177d35932111b7f1ab4399061c42833ac1ee9bd0324b139fc8db66e0d2890224d607bd3be38ae469be9
diff --git a/sci-chemistry/dssp/dssp-3.0.11.ebuild b/sci-chemistry/dssp/dssp-3.0.11.ebuild
index 6c96c618667b..c072fd95aebc 100644
--- a/sci-chemistry/dssp/dssp-3.0.11.ebuild
+++ b/sci-chemistry/dssp/dssp-3.0.11.ebuild
@@ -13,7 +13,7 @@ SRC_URI="https://github.com/cmbi/${MY_PN}/archive/refs/tags/${PV}.tar.gz -> ${P}
LICENSE="Boost-1.0"
SLOT="0"
-KEYWORDS="amd64 ~arm x86 ~amd64-linux ~x86-linux"
+KEYWORDS="amd64 ~arm ~arm64 x86 ~amd64-linux ~x86-linux"
# It's just cppcheck (at least in 3.0.11)
RESTRICT="test"
diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
index f7a79a8ee80c..0d667d32375d 100644
--- a/sci-chemistry/gromacs/Manifest
+++ b/sci-chemistry/gromacs/Manifest
@@ -8,7 +8,7 @@ DIST gromacs-2020.7.tar.gz 29175554 BLAKE2B 98f1aa415946f8eb113febc81105f0c1b091
DIST gromacs-2021.3.tar.gz 37987972 BLAKE2B d71995c7d5a34978246e33dc637ac3d273e547afcf72d1a107026650f03286ecdf27e4b9a70113b3c3a01af59ad49ac5c813aa6e5d2e8eb29fd05582a7a28d34 SHA512 da420917d06de2e192dfbb4e1b9f46989ed05b5c7e641c657104ed8f2bd8b22509bffd1ecfd7c965c80544eafa6af12d6d0aba7e1e7d9d14a4a88fb3fbf394a5
DIST gromacs-2021.5.tar.gz 38023772 BLAKE2B 45e1f080b86626423e471f06b48b615db1913048f9f6998da8ce45408339b32f829d33dd2af57297a7d307fcffd556c333a58c309ee0f2adb021ca3755619b05 SHA512 56c1b312fc8e52ec6f86e445d2fa2d07107c461b35d4dc8cdf95580f05fd8e6c5fd671d0e72b2b9e74e3232bc8c41db496fe4bcaf2b9a3ae3c2cfa93489a31c5
DIST gromacs-2022.1.tar.gz 40375423 BLAKE2B fe28ec4c080500d0248bd3d37ec742e8cf51ba3520b5a7c3f640413b232fcf96354940c743e2a54a9fde04c98ecb2fd317863d8c06b008f516fefc0e9e1197dd SHA512 80c98badb7ebad171925486d1676b64e787cf8cbfb8f1b1cf1ccab8cbf8d8340f7fdd084dfb7388afc7a3aef23b95d603265305faf82125324307d86460c6f17
-DIST gromacs-2022.tar.gz 40353044 BLAKE2B e9ba72092467c143be7de0739e71181f384a6bb463338c58c60a5d56f30b960651bda60c1df4fa424e237f1ae90d5d7bab19670ec22cd21bba3cb638f8e5b1ba SHA512 f256b032b226c14407ba21c7b825b6bf3f7b3595318b8638594d81ed6346b0b8563098f6ff7005c2ba125447c5d2dff750829b24781c8f1ea266e6465f627db1
+DIST gromacs-2022.2.tar.gz 40350604 BLAKE2B 789c8abc13b5c64af6b9d66efcf70449330b7e6a4bc127ba299e36eea925e9485809c11480ffd857805d9b453df363ce9bb05bc54b439801334767651defc0ef SHA512 9f33518d2035afb37fc40377e575d497ff32bef2adb702669b35b1b51b1694b1113c5634fa6febd41955b6dfbfd055e7d523e1919bda1bf169a6d0c25700cef7
DIST manual-2018.8.pdf 10025023 BLAKE2B afb0a6e6a72d78df743fcb57e7c1716848589e571dd35167b957a9b407ca27978ccfb6cb9e0df9c9439b888f352501a00ba32281ed1e0b4193bd606f1d77152e SHA512 b1972f7ce965bfc9377542993c5943ea4868a8ed23a969d4203264746d6bea3a7a65c6379196ece37fd6d68ec7ec80f827bde87d1049284af7082759a124f1d5
DIST manual-2019.6.pdf 12702376 BLAKE2B c350127bc06a9eb3dee73da39037c84daeb89500e23cb131bd19a150bf60602d4dde7611e0c6f0f344af4093e96a899303dac71b4df56fd0c44c3a48a56606b7 SHA512 dfdff67c2c1c9ce1f1c236b7686c5331b0fe86951da6c98eddd6a3e748815e0be0a9653ae4318469fcdd913c4e7c355d64a997cc80b9d9fbe6282ef6d98e61eb
DIST manual-2020.4.pdf 11851608 BLAKE2B 7b7bdf08e8946fcc448543b08391b94a67fee60a8c810597c1f09f70443f9d7db817c99622dd0c21c6317f5fdcd6c4a88589ecac57055cb0cd8597d6021026e7 SHA512 928555663c77de36393e625c29d388d4e1c8c1298e7a993d871839e0d4d8d18d190221ad8f1d975bd072bdd6a061e9ea5b9295f2ecf45f24b6523ea5ea290fed
@@ -16,7 +16,7 @@ DIST manual-2020.7.pdf 11850780 BLAKE2B 38594e87993badfbbcf47d6010a7f67d3c3426da
DIST manual-2021.3.pdf 12255076 BLAKE2B 6ca516b6832507c9d4100679d1f9bc9e3ab17d226849b050764b0d0626247dc57ce49985f9a7fc0061f3df278923a83faa367ca8ab91c37e5624dc584a51a822 SHA512 5d53798f30ea00fcb4e1b35f7eaa4bebfc05dafa4f2d0c197dcf2b57a624ad3a98b74fd90722e40d0ac13a6fff4ca231f9d6340f52ba94659c827c53c2f1cb16
DIST manual-2021.5.pdf 12253641 BLAKE2B 8850715a2bb21345e1c9735aca1a5dd2ad916e5a18881e7c9f3dda6f055ca12d9d379b74218138999ce50769efd8b9dd6447afbf70bbbefa2564dfb9fb276b91 SHA512 7635108c935e4953d722df6a16ee43edf97eef7e49f047218728f68f61f8f185192ff1d8b13a573b643b040955af211355a7b560c8a894c858d7f71249d41296
DIST manual-2022.1.pdf 13069337 BLAKE2B fed4d5b5ddc2b91dd2de2873c3efc01f6ce65b033840a79fda471b4481920fa6c5f5d9f23660d97ba4c84e0c7b75dc4c8723ed51413ad55c980818c394e9fde1 SHA512 73455190aec62aaffe760dddac4de26ea148d825f4c2d0e04d38c88b87fe15b7138b5a872bf9757452ac39e68942943c73e19025730ece8052d4a6a1873ca40e
-DIST manual-2022.pdf 13060966 BLAKE2B e1684d22e16d2bad878cd0adbac0df74a268f89034756a34374908afc7f2562a05dbdf91b3dcbdb98a45b3d21140b02a2df26e0f997c1f501347e102069f22c2 SHA512 0d9bd1fbe2db122f434df1565ba7c9ea5ad168f73855724a6cb488244eda13d8d47b2d534a6873dc7204012156fbf669bdaf7ca7d03a914745f60950392e6d28
+DIST manual-2022.2.pdf 13075063 BLAKE2B 1c9e525d45f1b9955f1aa2c4afa8c958b8ea62c51c28fafdebe302e3e5f6e04c97d1852e4ab2ba18149778d62959d9e7e42be9e4cd98f8187029cc590b1dfd9a SHA512 9b4d9b13547e0210b633394e0c9cba183a827409b08d3b2995a4b64df7b7e7aef0441af240bf4cfcb2e24594ade27c25fee454b9fcf4bb5df0ded464c4f6368d
DIST regressiontests-2018.8.tar.gz 67855469 BLAKE2B 34c9b339f6229f483afbb5192ee6ba8b8f72d5c26907a853af9c53dfece0d88739e48f6b44b78d1c010f988f9385d077285300522164f533a5861e9dda879275 SHA512 3642389d27bd1942cd0f091c940ae97b197b94856a387fe581dc516b0d4169480f16551d4ba357f9282b3337d605c286d51dd38112ac87c826dda634904836bb
DIST regressiontests-2019.6.tar.gz 67643195 BLAKE2B 1e054e24b187946f7ea28090d4f20cf8e1d79a26253f57ba07d130e0773d8541b8a1552a38023d31a68ce8bc62d8e0af1d98609234bb3e7d3e6d567307ebb386 SHA512 eacf1c55b982515a305c29459fe80a7cd558a8481e5689962aa956148af542568b1d1ce59c6784ecb0afd4768c2b664afa21e12af2d89ae2b06b1ba61ad72036
DIST regressiontests-2020.4.tar.gz 48542144 BLAKE2B 1dcde67525d40ababa74d9e8ba2dd3fdef1de7d1018491e102edd71d3a622925f213b5a0812e5448882b4cb5fb578317e8e5029bdc4bd53008aa8441a3d9dea1 SHA512 7c71f36a1cef22562f14dcd233e90ad2fe370ae1a7d3b5268727259b374e12d4754253735ac8745d3738bdbc1cc2067780fda5e393be2ff264f632fe4e0c1978
@@ -24,17 +24,17 @@ DIST regressiontests-2020.7.tar.gz 48541487 BLAKE2B 255608b52158c6c01e7c7c4dcf07
DIST regressiontests-2021.3.tar.gz 48515038 BLAKE2B ee79d8adddc9c68f7d59d9e568b12bf4d1fe0e44c2810fee846ad6f689bbcacf60f5c266433946329e64e3127bc2d37a3f81f69c070c636b411b38067650c2cf SHA512 e14baa22ef2902a23125bbd9143ae7a9a4810498b321794ff1989f8d044d47db5db41d5225798fda08016c05e5f7f315178b5a6e35cdf01e3b6604670a8ce7a2
DIST regressiontests-2021.5.tar.gz 48537298 BLAKE2B 860ac34aa8706ecdafab4472162775ce12726d93839079ebf9b7df8c2c6a1b47baa8a635c24cf4cb4551a32237c3de7da3197ec136b5bbf48663edc3943720ad SHA512 3605d04b2602339fb7d33e2776da2ada337ca58a3802472d47f490d4e8dd04249a950bf34608a498eedebf69f344c0311bac8f7fcb58ce0ebbb6d608ee39aa2e
DIST regressiontests-2022.1.tar.gz 48613957 BLAKE2B 57113b1030baed0d4a635c4c4c7123e77640223dddc4e3d7b40d9a2b3805be85fcc3ca0dfc5f3d92f2dce9b962b67ca8732db2c782953c9a5ed1381bf6f02357 SHA512 44633e7497601a4cf11dd6af9d043ca132efe43246b6d924c57f879d2e6f7a6379390d9897e03d7a8f645e7bdbb76a81586b56c5e61846d9f40c137a4de216c2
-DIST regressiontests-2022.tar.gz 48616817 BLAKE2B 5d303f365a8b3c4554232ca3e583f0eacc1973dd62faaed769d297efb5d7dde3ca04b8071786ecee992a83d7980aa244965212856f48c8832ca55805af61b1c1 SHA512 4566b76b5eb3bbdcdfed8330d4fcd7ada02eb6802434aa9f2ed4f775da780e4bde7daa35d79a72b3f25c540cb1c2b347aa2e6d504a77c095830da024a933fab5
+DIST regressiontests-2022.2.tar.gz 48614810 BLAKE2B d39a9b29a023fa2462918206457bb222bf56f0c530b311a1e5572e8af6c561a9ba5cf7a445425a36f89804d120a5d05cb778998818ba11357ec67bfb05297de3 SHA512 6cd4b59515648aa5f9deec130454b4d667cce20a95d389b46883865d39a164ec23da303a52afb4459dda3c6b6a7804d0763c05424ea512e6c0725ce1ca684dc2
EBUILD gromacs-2018.8-r1.ebuild 6889 BLAKE2B 977f6f9f9e2bf41f4085c5eee585689285383f9227a3876b265e0443a368ce028e6a1c1fa988133b73cfe930bd6ae778550b0e3e51bd34e63b6eef2e0763f2a9 SHA512 cb8a8cbe6430fa3eb9b829dbb2c8c5a96501e683433c3da2d5cebb40ddacb00928ae46de9244c862dcf71764a4ef01678a274701c975f14b7a3f9d008e4b8b4a
EBUILD gromacs-2019.6-r1.ebuild 7212 BLAKE2B deaaca94bc0c306800989796f723370b44da365228d0af5c74c815f488118f0ed9d6a67e16e8efe2bba229ed157ea5b3527e1b842527ff926c4cf7ca3aae13ab SHA512 39fd71dd0a31e74a96d5a0506718821fd4a53c191238e574f5adf1e12c4534f78953c2ffd573d1ecde3b214fba3f1da71b9241a54ae0ebb397cfee44e7cc2020
EBUILD gromacs-2019.6-r2.ebuild 7269 BLAKE2B a9045a4f746be59b3ef435e78377104380d2028b5cd8cd0efb716aa495a7c8276a03c1c22fadfa9835bfd1e32bb24486dba7fafb6cf0408ebd6ab5a6d7c59c39 SHA512 ad2463f99690b05c06d0d80787be1a157def7a1e5ad838ab696c9ee2e4e5688da0fd8cf85a4f10994a1df433ad287a7038a05b01b7d00b5d80a6c375ff888801
-EBUILD gromacs-2020.4-r1.ebuild 10042 BLAKE2B ebd083d1e8d7db1abc4e6d3c796fe932e55a8e2761bd6cec4365dcb096ec58c521901299c0c0c82e07817f7475770d83076c09629b314427dfb8048f7f73d081 SHA512 d4ec58a5ced22b7a6388d8c02fd65bc484949806d106e3d56702309bace963f1d6d4ff0402a41d07da024d57aba479358688514acac28dd932e7c5244541e71c
-EBUILD gromacs-2020.7.ebuild 10047 BLAKE2B 6c88181452c6da010fcda64ad6d9b6304be8fc13d4b05be61c6940f9d71d3e72db954466df044ff0f170883fce66ca9add8c46d47ba0e43a453719b040bc0b97 SHA512 a5f97d2e1d78fa34190f3092bc448a59f3a8d1591c52dd3b942a7b7ea019b198f1313b3c5efba3ca142382710a6360d5e82f6abe8a6d8bb898adac2dea074b1c
-EBUILD gromacs-2021.3-r1.ebuild 10249 BLAKE2B 46bb1d1de5768414188e18d1cf44516d41d92aecb4caddd963b6acb46c0395169c417331ef517b8619ae7a2f28817d37c26d454997e8ff53281b62919858a622 SHA512 9f02f5cbef0115a2e16cc9693d4e820574df52a921eb8fa5d7fc896c51d094dd67ba12944c4b71082e01803d6db3c0d233bef9fdc34bb337225a9f28c41f3965
-EBUILD gromacs-2021.5.ebuild 10254 BLAKE2B a42ebea8b63c539773a0751edbcb23d0ab9eccfd3cc334e35df53e286817068c755963c54edf5fcd054b254e21ebd905a81ff7e9c9f9b4149a129790e10af666 SHA512 1b3231e68ce8ab4e676d7f31d673de758a0d0f31a11ffdf9f210fc41c8ef28543b1d303454ea880d6592e3669f0c971c68421f5c40d79c7c94563da5d818f58d
-EBUILD gromacs-2021.9999.ebuild 10198 BLAKE2B d7e064bee99f77086ff22f4b3286d4347079516eb2cab1df22b28a19f2dd2fb471cfb9441bbe349d7c74ddeb044adfddb52a23f4bc763535c051ffb057dd9726 SHA512 a77c430e24f03319b95f20ced6cf7d81801b6e9cc45eeeebdd00d5583a268a5914a47a72987a70fd75d559effcfacc1df04287c93081aa219c9b1245069ef175
-EBUILD gromacs-2022.1.ebuild 9738 BLAKE2B a74c50c35dd166a0bb8b0b0a4fdf2dfa3b28044d8c20abdb960955e06aa59f65cb8babe93fc491cc4954610c51758210516e232385956e89d0bf3faab8c057dd SHA512 a49ec504a2d99d0a1f610953a61e3cd1a0e14e4375a9e3c21f1e4c08e137a247915586b48e0e34182c4e68307899bda8bb881d9e039036b25f0210de25c965e0
-EBUILD gromacs-2022.9999.ebuild 9335 BLAKE2B 8d23582af5923a2b0d1fccf398e245af3e8e800b19aab6c7131db3d535ea8dc8f445e30eff3ce31cc9f1e22272c251a17b81ceca10ac162cd0f7242ea60a7b2a SHA512 b65e42f6573ff621ef1f13581e75866383899086ccc91b4bd3d64b24cb6d1524718bd56286496e9e12e628f9c97effc17d0e3c386655ff17ea94851675b7fa00
-EBUILD gromacs-2022.ebuild 9733 BLAKE2B 1eaca097b14706dbae8bea1592ffef72ab5b965f78eb405164ac3c23a4d7fa211c5ba9ec0d5d5e4d132d167f1bfb5123ca6446adada4201fbab2eefad8ff02ae SHA512 3adc8a9dc45e4b161a2100a55000028b9b4f0ad835caefc1aa347b9bcd0a9e5ea3898495777f4c93c8ab81e7abfe97e5cd2bee49d77c6ca87d7b769c9efa26e1
-EBUILD gromacs-9999.ebuild 9335 BLAKE2B 8d23582af5923a2b0d1fccf398e245af3e8e800b19aab6c7131db3d535ea8dc8f445e30eff3ce31cc9f1e22272c251a17b81ceca10ac162cd0f7242ea60a7b2a SHA512 b65e42f6573ff621ef1f13581e75866383899086ccc91b4bd3d64b24cb6d1524718bd56286496e9e12e628f9c97effc17d0e3c386655ff17ea94851675b7fa00
+EBUILD gromacs-2020.4-r1.ebuild 10044 BLAKE2B 147506e84fc25a03c10375edba56d996f0f676af45a4d4f59cf1754a363e4bef0c2d2dd25022500099ea0d82f930ca60cd743b5221cd8c9604a3211eb27ff66d SHA512 1fc9752c929f82ba4233535d407d2af69ad18a0f0a8514e42d25a30c97f329962fb9bb46ea1907b2fa66eb75da42912a12a304134eac86cd497e1e46b94bc54f
+EBUILD gromacs-2020.7.ebuild 10047 BLAKE2B f1fa8b8385140151b330e2138fe044e5a5f667f317c09756b5469426cbe421a3726e448b1440b0f470074f610ccddc38d12ba92313af41fdfd04ed2d5245c86a SHA512 9d7a93c64c6b0f2f43e46ac44a91643a1875eb4e24dc777d4c77f5464745dceff30506a342ab972491660dcd49c5365369325a63e7fb86d5dfe179767ed108f4
+EBUILD gromacs-2021.3-r1.ebuild 10251 BLAKE2B 985713c5252f895b9bb9915cb8f0317eabe93b95887729fe4e1c7d7581eac4c0993a2838655a184098520dbd78bc46fc4d6da5cf8ab0eff035d33a45f2818e48 SHA512 b6253087c3160cac469dc0d3d22c36ad6bf9ca2eb24b4891327c973d5e4f62af88c685056aa51ab02335609605e3bfb5696e2f11a5d850a59d1341341b1217bf
+EBUILD gromacs-2021.5.ebuild 10254 BLAKE2B d0228a613cb287b77ab0112ebbbce6f57f40c1a1f9d4949fce623a5b4d20b32e6b8b9ad1621385e9629d045db7b0ec13e723fc7ea73d4ecde6ffce65f520d76c SHA512 d01cfa540728fd8ac59bdc62f16f902e73d5666a4a241eceeab75c835a8bcef924c712ed399c473cfb52e928fbfcb72d73acc6a7d2b804d999f32f42de79d7fd
+EBUILD gromacs-2021.9999.ebuild 10198 BLAKE2B c9f488f6b264a5ced42c3225fea32938d9837efbad9dbbf5b63c6b8e01385f0e9acab6cd719d42da846b91b63e04b93f0fbc196c00a158069a626e1e19b3fd72 SHA512 6e2424b1d5f77940ea33ce8568077902b972efd27f574f57594ce97ceae08caeebdb9b34fd01209dffa06366734f1ed85eb3796bb07ce39b9aebacfe7d12ad32
+EBUILD gromacs-2022.1.ebuild 9792 BLAKE2B f33f763c28ef3036f7e383d9decab187cfca5ee87cc7d19e153a7b9e1a50709ce7c34ad4da00ebb2538e95dfce2115f4dbd3cc5b1cf967f546326a38aed58465 SHA512 acb8eb93dd2ef882694fa7bbcdadcafd14108495bce5b225670ef35d02764e3101bf85c67d4373f52046ed959eb4c768e3f2dc165149f3c35254e037f7c4026c
+EBUILD gromacs-2022.2.ebuild 9799 BLAKE2B ea9a9e6c22bbcd869a33a4c48e22f63eea09de7b7e69e1c0844374233a8f363b7db8a732210dbd5be022e362092a3b16aae0814d5b8a6307a73a7c2a1df4ec7b SHA512 6e7fdac6e590679a6c705e9dd4140cd0e00e0ce9daaca644ee62c1de3a15e578e529b53123ab08300de6c6568c64409975d5421e5b3e6e1831a5a86824208500
+EBUILD gromacs-2022.9999.ebuild 9394 BLAKE2B 2a8fc8946225e3da59b9dfe7b92799e9cf9db4e7493fd54de4ee66245288f3ab6a563f3a95dcfc2f3c1cb0084c5c2587c75a7ad91b171ca3956ace393dd10379 SHA512 071f4a58612045de825b39bef883c1ac31665cf57c6629e407690316538ec51390ed671b223e6c9c919b0705c39cfb702211570cd3aeb3fd0d9d62c0358f280c
+EBUILD gromacs-9999.ebuild 9394 BLAKE2B 2a8fc8946225e3da59b9dfe7b92799e9cf9db4e7493fd54de4ee66245288f3ab6a563f3a95dcfc2f3c1cb0084c5c2587c75a7ad91b171ca3956ace393dd10379 SHA512 071f4a58612045de825b39bef883c1ac31665cf57c6629e407690316538ec51390ed671b223e6c9c919b0705c39cfb702211570cd3aeb3fd0d9d62c0358f280c
MISC metadata.xml 1375 BLAKE2B 321b7db8536061655a6efaa40110f4858633921292eba465b85fe0cb50280842e511f2f11385fe5d62bbdfb40e9c0c76e8e986a1efce8eac25d52c438d7ed5f4 SHA512 cc61e0b477f6576079a0f7910475b9091c1c521fbb48efab365d355e3c0a80cd19e1ea9028cb269d37c2572546b1be66a210512e40ff0f2d6314d1b0138cdba6
diff --git a/sci-chemistry/gromacs/gromacs-2020.4-r1.ebuild b/sci-chemistry/gromacs/gromacs-2020.4-r1.ebuild
index 3d38fc4523bb..178926f0014d 100644
--- a/sci-chemistry/gromacs/gromacs-2020.4-r1.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2020.4-r1.ebuild
@@ -5,7 +5,7 @@ EAPI=7
CMAKE_MAKEFILE_GENERATOR="ninja"
-PYTHON_COMPAT=( python3_{8,9} )
+PYTHON_COMPAT=( python3_{8..11} )
DISTUTILS_USE_SETUPTOOLS=no
DISTUTILS_SINGLE_IMPL=1
diff --git a/sci-chemistry/gromacs/gromacs-2020.7.ebuild b/sci-chemistry/gromacs/gromacs-2020.7.ebuild
index 2e38306eb66f..de3335b0e75c 100644
--- a/sci-chemistry/gromacs/gromacs-2020.7.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2020.7.ebuild
@@ -5,7 +5,7 @@ EAPI=8
CMAKE_MAKEFILE_GENERATOR="ninja"
-PYTHON_COMPAT=( python3_{8..10} )
+PYTHON_COMPAT=( python3_{8..11} )
DISTUTILS_USE_SETUPTOOLS=no
DISTUTILS_SINGLE_IMPL=1
diff --git a/sci-chemistry/gromacs/gromacs-2021.3-r1.ebuild b/sci-chemistry/gromacs/gromacs-2021.3-r1.ebuild
index 1ea7d0f255b7..68d9a92c288d 100644
--- a/sci-chemistry/gromacs/gromacs-2021.3-r1.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2021.3-r1.ebuild
@@ -5,7 +5,7 @@ EAPI=8
CMAKE_MAKEFILE_GENERATOR="ninja"
-PYTHON_COMPAT=( python3_{8,9} )
+PYTHON_COMPAT=( python3_{8..11} )
DISTUTILS_USE_SETUPTOOLS=no
DISTUTILS_SINGLE_IMPL=1
diff --git a/sci-chemistry/gromacs/gromacs-2021.5.ebuild b/sci-chemistry/gromacs/gromacs-2021.5.ebuild
index b797cea596be..2f7f4f77115a 100644
--- a/sci-chemistry/gromacs/gromacs-2021.5.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2021.5.ebuild
@@ -5,7 +5,7 @@ EAPI=8
CMAKE_MAKEFILE_GENERATOR="ninja"
-PYTHON_COMPAT=( python3_{8..10} )
+PYTHON_COMPAT=( python3_{8..11} )
DISTUTILS_USE_SETUPTOOLS=no
DISTUTILS_SINGLE_IMPL=1
diff --git a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
index 8e32fc1644e1..af0fa65d05eb 100644
--- a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
@@ -5,7 +5,7 @@ EAPI=8
CMAKE_MAKEFILE_GENERATOR="ninja"
-PYTHON_COMPAT=( python3_{8..10} )
+PYTHON_COMPAT=( python3_{8..11} )
DISTUTILS_USE_SETUPTOOLS=no
DISTUTILS_SINGLE_IMPL=1
diff --git a/sci-chemistry/gromacs/gromacs-2022.1.ebuild b/sci-chemistry/gromacs/gromacs-2022.1.ebuild
index 6784e38c84da..61b5edc51f15 100644
--- a/sci-chemistry/gromacs/gromacs-2022.1.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2022.1.ebuild
@@ -5,7 +5,7 @@ EAPI=8
CMAKE_MAKEFILE_GENERATOR="ninja"
-PYTHON_COMPAT=( python3_{8..10} )
+PYTHON_COMPAT=( python3_{8..11} )
DISTUTILS_USE_SETUPTOOLS=no
DISTUTILS_SINGLE_IMPL=1
@@ -24,7 +24,8 @@ else
http://ftp.gromacs.org/gromacs/${P}.tar.gz
doc? ( https://ftp.gromacs.org/manual/manual-${PV}.pdf )
test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV}.tar.gz )"
- KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos"
+ # since 2022 arm support was dropped (but not arm64)
+ KEYWORDS="~amd64 -arm ~x86 ~amd64-linux ~x86-linux ~x64-macos"
fi
ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon"
diff --git a/sci-chemistry/gromacs/gromacs-2022.ebuild b/sci-chemistry/gromacs/gromacs-2022.2.ebuild
index 80afa36142da..c10e89957871 100644
--- a/sci-chemistry/gromacs/gromacs-2022.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2022.2.ebuild
@@ -5,7 +5,7 @@ EAPI=8
CMAKE_MAKEFILE_GENERATOR="ninja"
-PYTHON_COMPAT=( python3_{8..10} )
+PYTHON_COMPAT=( python3_{8..11} )
DISTUTILS_USE_SETUPTOOLS=no
DISTUTILS_SINGLE_IMPL=1
@@ -24,7 +24,8 @@ else
http://ftp.gromacs.org/gromacs/${P}.tar.gz
doc? ( https://ftp.gromacs.org/manual/manual-${PV}.pdf )
test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV}.tar.gz )"
- KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos"
+ # since 2022 arm support was dropped (but not arm64)
+ KEYWORDS="~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos"
fi
ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon"
diff --git a/sci-chemistry/gromacs/gromacs-2022.9999.ebuild b/sci-chemistry/gromacs/gromacs-2022.9999.ebuild
index 101a76d94cf9..2b70114b7ade 100644
--- a/sci-chemistry/gromacs/gromacs-2022.9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2022.9999.ebuild
@@ -5,7 +5,7 @@ EAPI=8
CMAKE_MAKEFILE_GENERATOR="ninja"
-PYTHON_COMPAT=( python3_{8..10} )
+PYTHON_COMPAT=( python3_{8..11} )
DISTUTILS_USE_SETUPTOOLS=no
DISTUTILS_SINGLE_IMPL=1
@@ -24,7 +24,8 @@ else
http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz
doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf -> manual-${PV}.pdf )
test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )"
- KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos"
+ # since 2022 arm support was dropped (but not arm64)
+ KEYWORDS="~amd64 -arm ~x86 ~amd64-linux ~x86-linux ~x64-macos"
fi
ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon"
diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild
index 101a76d94cf9..2b70114b7ade 100644
--- a/sci-chemistry/gromacs/gromacs-9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-9999.ebuild
@@ -5,7 +5,7 @@ EAPI=8
CMAKE_MAKEFILE_GENERATOR="ninja"
-PYTHON_COMPAT=( python3_{8..10} )
+PYTHON_COMPAT=( python3_{8..11} )
DISTUTILS_USE_SETUPTOOLS=no
DISTUTILS_SINGLE_IMPL=1
@@ -24,7 +24,8 @@ else
http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz
doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf -> manual-${PV}.pdf )
test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )"
- KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos"
+ # since 2022 arm support was dropped (but not arm64)
+ KEYWORDS="~amd64 -arm ~x86 ~amd64-linux ~x86-linux ~x64-macos"
fi
ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon"
diff --git a/sci-chemistry/propka/Manifest b/sci-chemistry/propka/Manifest
index 229189a824af..dc5a1eddff6a 100644
--- a/sci-chemistry/propka/Manifest
+++ b/sci-chemistry/propka/Manifest
@@ -1,3 +1,3 @@
-DIST propka-3.2.0.tar.gz 73746 BLAKE2B f79e493d5a195b81dc5d11cc21b9ab16c8d1fa48f15f7e23e2b2936dfb8634fdb00c7838b8dbdb4a68726dab0f16e54522ad71d71b3273ac93c03a737ae06f04 SHA512 98f2240b28b33bab94cdbe9392062bb7f6b87e75b94c2af91e178f874a74d210601161ebc835c4d751b89d37b32348fdfb096e28cbf8e9237b3f472d3fb6b4fc
-EBUILD propka-3.2.0.ebuild 848 BLAKE2B 3f48d2b0f6b17916f2a9b9baf2d11b0d40beb24498190408320b2e11226aacc81a45a0600506905d03b8f99d33663d461e7eeaaf6f4d2bf5e66f724fde910125 SHA512 5b84c1a85d41570d6704bf87b04f465d50a7e8b4f43fc450c37c4bd558b188d85b56b3073c2bdc750ea8607a2946cb3210ba8bbed8e8bde83db19d0b3109d7a6
-MISC metadata.xml 393 BLAKE2B 1dc3ea512fd9d486051d6a077044cf93f52e831fd99a9fc0c11fc1dcda1360840083d3249ffc1a32cb88425788cd01914084c4cda408912886a2513096929ad8 SHA512 8cb283b09189ce9d8532388a7ed12465befb64a0c095bd6eaab451c54915d89839aa6056cd770950714a4c8e2dc40f6579da0ab06091b7b4bc3bb25119095e7d
+DIST propka-3.4.0.gh.tar.gz 363641 BLAKE2B 87f495ba69028593cf3ebf98ed33da0944f7a3833f2d08cae4f0a0b5cbe2f3a67e9812685b896a7d89c88ba25653861f135dbac53dc6df7af426a290bacb3d22 SHA512 2ce431c66374d0692acb7504661caa870ab6460ace3a6478f88c1d46a7bfcd82c748bf153a1ce2ea6d1611bc4bbf2351c4f5149f4578e5f8a9f9ec8385298fe9
+EBUILD propka-3.4.0.ebuild 750 BLAKE2B 811914f17aaa8c9ba8779d4267ecc372c7397394ccf87bb6ea25159759248861da362c13d1e70a991ddd08783c9d4c8c9edb59b99aaac0e253f99935ed2666ee SHA512 e5d23bb7cff54dfc009435da11de8f7e73e2da41e908d4efde1f722a15e2af2d3e5c126fdeb59c5177349a64e6fdeb18cd407a7bd9a6aad3cbeaa3ab6ec04312
+MISC metadata.xml 417 BLAKE2B 89fda735965e8ae53eb86dfd438137e7770718b5601d5cd753cce9a03001419e53404dde70fed53d37ccf407265ee387accb26640bb4fce479e01ff141702b70 SHA512 5a9f942fa28e679ee5e1795fddf91661c35c55df79e0d9b742353ad265057ceb030ef15d3bb218ad5e8217c61d462aa09206e261c14dc363e6d6bfc3d20c6500
diff --git a/sci-chemistry/propka/metadata.xml b/sci-chemistry/propka/metadata.xml
index 03810a218076..5153791d2361 100644
--- a/sci-chemistry/propka/metadata.xml
+++ b/sci-chemistry/propka/metadata.xml
@@ -9,4 +9,5 @@
<remote-id type="pypi">propka</remote-id>
<remote-id type="github">jensengroup/propka</remote-id>
</upstream>
+ <stabilize-allarches/>
</pkgmetadata>
diff --git a/sci-chemistry/propka/propka-3.2.0.ebuild b/sci-chemistry/propka/propka-3.4.0.ebuild
index b5dadd1825d2..81b20fbee2e0 100644
--- a/sci-chemistry/propka/propka-3.2.0.ebuild
+++ b/sci-chemistry/propka/propka-3.4.0.ebuild
@@ -1,40 +1,28 @@
-# Copyright 1999-2020 Gentoo Authors
+# Copyright 1999-2022 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
-EAPI=7
+EAPI=8
-PYTHON_COMPAT=( python3_{7,8} )
+PYTHON_COMPAT=( python3_{9..11} )
+DISTUTILS_USE_PEP517=setuptools
inherit distutils-r1
DESCRIPTION="pKa-value prediction of ionizable groups in protein and protein-ligand complexes"
HOMEPAGE="https://github.com/jensengroup/propka"
-SRC_URI="mirror://pypi/${PN:0:1}/${PN}/${P}.tar.gz"
+SRC_URI="https://github.com/jensengroup/propka/archive/refs/tags/v${PV}.tar.gz -> ${P}.gh.tar.gz"
SLOT="0"
LICENSE="LGPL-2.1"
KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
-IUSE="test"
-
-RESTRICT="!test? ( test )"
RDEPEND="dev-python/numpy[${PYTHON_USEDEP}]"
-BDEPEND="test? (
- ${RDEPEND}
- dev-python/pandas[${PYTHON_USEDEP}]
-)"
+
+distutils_enable_tests pytest
python_prepare_all() {
- sed -e "/exclude/s:scripts:\', \'Tests:g" \
+ # Do not install the tests
+ sed -e "/exclude/s:scripts:\', \'tests:g" \
-i setup.py || die
distutils-r1_python_prepare_all
}
-
-python_test() {
- cd Tests || die
- ${PYTHON} runtest.py || die
-}
-
-python_install_all() {
- distutils-r1_python_install_all
-}