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authorV3n3RiX <venerix@koprulu.sector>2022-06-29 12:04:12 +0100
committerV3n3RiX <venerix@koprulu.sector>2022-06-29 12:04:12 +0100
commit0f558761aa2dee1017b4751e4017205e015a9560 (patch)
tree037df795519468a25d9362b4e95cdaeb84eb1cf9 /sci-chemistry
parent752d6256e5204b958b0ef7905675a940b5e9172f (diff)
gentoo resync : 29.12.2022
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/Manifest.gzbin10376 -> 10367 bytes
-rw-r--r--sci-chemistry/dssp/Manifest2
-rw-r--r--sci-chemistry/dssp/dssp-3.0.11.ebuild4
-rw-r--r--sci-chemistry/gromacs/Manifest24
-rw-r--r--sci-chemistry/gromacs/gromacs-2018.8-r1.ebuild8
-rw-r--r--sci-chemistry/gromacs/gromacs-2019.6-r1.ebuild8
-rw-r--r--sci-chemistry/gromacs/gromacs-2019.6-r2.ebuild8
-rw-r--r--sci-chemistry/gromacs/gromacs-2020.4-r1.ebuild5
-rw-r--r--sci-chemistry/gromacs/gromacs-2020.7.ebuild5
-rw-r--r--sci-chemistry/gromacs/gromacs-2021.3-r1.ebuild5
-rw-r--r--sci-chemistry/gromacs/gromacs-2021.5.ebuild5
-rw-r--r--sci-chemistry/gromacs/gromacs-2021.9999.ebuild5
-rw-r--r--sci-chemistry/gromacs/gromacs-2022.1.ebuild7
-rw-r--r--sci-chemistry/gromacs/gromacs-2022.9999.ebuild5
-rw-r--r--sci-chemistry/gromacs/gromacs-2022.ebuild5
-rw-r--r--sci-chemistry/gromacs/gromacs-9999.ebuild5
-rw-r--r--sci-chemistry/molequeue/Manifest2
-rw-r--r--sci-chemistry/molequeue/molequeue-0.9.0-r1.ebuild12
-rw-r--r--sci-chemistry/molsketch/Manifest5
-rw-r--r--sci-chemistry/molsketch/files/molsketch-0.4.1-more-quotes.patch11
-rw-r--r--sci-chemistry/molsketch/molsketch-0.4.1-r1.ebuild60
-rw-r--r--sci-chemistry/molsketch/molsketch-0.7.2-r1.ebuild (renamed from sci-chemistry/molsketch/molsketch-0.7.2.ebuild)2
-rw-r--r--sci-chemistry/openbabel/Manifest5
-rw-r--r--sci-chemistry/openbabel/files/openbabel-3.1.1-fix-time-check-cmake.patch32
-rw-r--r--sci-chemistry/openbabel/openbabel-3.1.1_p20210225.ebuild10
-rw-r--r--sci-chemistry/openbabel/openbabel-9999.ebuild6
-rw-r--r--sci-chemistry/pymol/Manifest1
-rw-r--r--sci-chemistry/pymol/pymol-2.5.0-r1.ebuild98
-rw-r--r--sci-chemistry/tinker/Manifest2
-rw-r--r--sci-chemistry/tinker/tinker-8.2.1.ebuild9
-rw-r--r--sci-chemistry/vmd/Manifest5
-rw-r--r--sci-chemistry/vmd/vmd-1.9.4_alpha57.ebuild (renamed from sci-chemistry/vmd/vmd-1.9.4_alpha51.ebuild)17
-rw-r--r--sci-chemistry/votca/Manifest2
-rw-r--r--sci-chemistry/votca/votca-2022.ebuild2
34 files changed, 229 insertions, 153 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz
index 87550e8d5e45..c1214fd5f9a1 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 a36c6d3c1089..5aabd1d0280e 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 873 BLAKE2B aa7a2dcf710a344bbd18c28f05c1b8f32c4fc3469a054382b4232c567bd3f53622558bfd42824415cd0b486342b766eb42bf3349901f4fcd59cc3cf08e5292f1 SHA512 190ecb2e8103f2b3d6bd5d201342e7763b8c43a64f4a831d4fb0a794e54721dd6679774b6a76539b79b3ba6bbd9ac6c0bdbc73a4e14b65897c2086452fac8c60
+EBUILD dssp-3.0.11.ebuild 878 BLAKE2B d5fde34262354a63878eb341748a811479a52edda082c72128853577a19b87c091063280ebadca147c9c9080823faa7425e3d9c7cdd47ec7554c299b8b8b8a58 SHA512 07e7c8781c6cce5c49331fdf0bee416aa058e654e6b132db4ddee3f9c063579e8579311c427552e429ada93d251810e530334f8502bc689a9d90a6fe9f367e7e
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 002c7d491d18..6c96c618667b 100644
--- a/sci-chemistry/dssp/dssp-3.0.11.ebuild
+++ b/sci-chemistry/dssp/dssp-3.0.11.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2021 Gentoo Authors
+# Copyright 1999-2022 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
@@ -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 x86 ~amd64-linux ~x86-linux"
+KEYWORDS="amd64 ~arm 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 1a86a0ad444f..f7a79a8ee80c 100644
--- a/sci-chemistry/gromacs/Manifest
+++ b/sci-chemistry/gromacs/Manifest
@@ -25,16 +25,16 @@ DIST regressiontests-2021.3.tar.gz 48515038 BLAKE2B ee79d8adddc9c68f7d59d9e568b1
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
-EBUILD gromacs-2018.8-r1.ebuild 6911 BLAKE2B 7c58e3fd507f54c17e3268bb3dc634f1b708c8c2662d33ae1e125cc2a11591cfefa4a38e6922dee789f63829abe3917a245a12ef06ca43686221c37c65ad9dbe SHA512 f9512b277a696aeb2d287cf1c37f982153889027ef69c3b766519c80049f363a491bd22d0d018f93ca63f41e448fc6b2f93121ac5a66f37c2ef4951bb473b8e8
-EBUILD gromacs-2019.6-r1.ebuild 7234 BLAKE2B a1abfa8e110aed2d0c3adfa5e74658ef0635a2851d4d9ecb78e1fbad99efa3d61d8adf8d232b68406927325bb6e23781b0c1f6366d162e6f7adfcf4179c1be50 SHA512 ed17fb00e3609a0adaca74e96236cab544dfea0d264dc46933e292d8d3bd6cd2c49716c7eae7823253523a287466630feb739cabac24fe2f488eadb95901415a
-EBUILD gromacs-2019.6-r2.ebuild 7291 BLAKE2B 8dc60e5521dc7413847d2573ea5fc05e65a4102747c30aaf514d446464ac6707e4b1e65e2b462cfa2099b39578ec50c394db780f060bce7c80e1b6eea69d9fe9 SHA512 02e96e3602295cbe06e7c1c290ea55adee7f4e6f1e9f22b43d1f9f3e561943b3c23bb5e466eeed5a632d4a9d4668b3604a096de64c5618e4f964df3ade27a276
-EBUILD gromacs-2020.4-r1.ebuild 10081 BLAKE2B 87104c721cab6ac70218d6d7cea6280ecf0c8dfd11118ffc086ad2264ab4c52f9904ae55f4dd67d8a21a9e1b4309c50ecc65fe969fdfd4dc214663c1c56e4b2b SHA512 d2fceb44f67f1f08609d6cfc3f6e4ecdc607c12b7cf3676f7180a3558e91ca2cdddcc449b5ebc7e09dd20f1bfae2fc6d01ecfd7861a196cf36976b23c72ff4f2
-EBUILD gromacs-2020.7.ebuild 10086 BLAKE2B a8dbbf44bafe6d8c3c3b8c2faf7976ca8dc34e3e73209c2f34a16e301d62404689a40de03ba78c602d4d99d687bc555428dd7eb13d8badab4ba997de09fc1812 SHA512 ef212496eb06fc88d53ba190a3ea9d4835b0686ce49278ced3eda0eb39ccfda27c72739962d25ba5a504f7125db18389475335a016df945fe296830429609b15
-EBUILD gromacs-2021.3-r1.ebuild 10288 BLAKE2B 0a2a11221d22689fbc514c9748b58e9289a2a5ab1628504aab9515b660be38a2f830da6d40c265898e323646275479b49fd08e9101911996dc9c56be9f345f4e SHA512 ac9cecdf06429435077ddba2932e07c6b580aa41a59a738314383a583bdbf49303bf09f8aef37f494abbd4193efddffac7049cded59590ecc6b470dd9a8ed185
-EBUILD gromacs-2021.5.ebuild 10293 BLAKE2B c1c9e5b72fdcba071e5bf045e76b0cc0c2bc4297d09287d305611dd922307509f384b9dd32c64de1c78c6acbb0bc824c1b246688d0ea891b45a2f052eb7a4398 SHA512 56e25ae7a1081dfc11c7b88ea62d3f8df145385b9172409c045d1a74de71dfd11010cb18622ec9a0868677044b7c3dd03852f0a4d883ac48bdfd7d0aef309a71
-EBUILD gromacs-2021.9999.ebuild 10237 BLAKE2B 68e2da935cbd8985cbfc00aa114c40c906e82ab87e683d837cc79abef9e480bb3edad1675f996a871d3970b7895315bd946195e19e6d2f9393f6e884664143b3 SHA512 2e452a67c43e08fb8fac5b7c0ce0c54f7e6de67936b0812d257f703f0ab9ba4dd66df307da51fe1173301fd53b569d89b34022e0d3b39d1a768edb77c61a6859
-EBUILD gromacs-2022.1.ebuild 9772 BLAKE2B 7003fa53b924757e9a2215116163b67db174bf1bc358be41caf2067d794331f4deead2a83d6429c9e02bd90348b22f20e5a7bf8d57a481eeda4ecaa131e8dc6b SHA512 642e23a6ee26a9acec9ad4bffa4ac101ac932db2c77dde04a72aebb8890cb5705af21b289acfc340ddcb4822a495181839418011b1571bc716d0ded093e60754
-EBUILD gromacs-2022.9999.ebuild 9374 BLAKE2B f8ebda163073d2cdd6a11fe096d1d0aa47637ab94a2d64e14929041066cfb84f63a1c17ee7432454c405b92629cfe12824dc29defb18291bca97cc384fafedec SHA512 1aec18c9918aeed944a2bf36660acead13df7b455b9361f70c97f972b3abef44b3ef6c8df707e7f886c6785abe16cd3a4e9b63508e8a8994e3033bd8e98fbc53
-EBUILD gromacs-2022.ebuild 9772 BLAKE2B 7003fa53b924757e9a2215116163b67db174bf1bc358be41caf2067d794331f4deead2a83d6429c9e02bd90348b22f20e5a7bf8d57a481eeda4ecaa131e8dc6b SHA512 642e23a6ee26a9acec9ad4bffa4ac101ac932db2c77dde04a72aebb8890cb5705af21b289acfc340ddcb4822a495181839418011b1571bc716d0ded093e60754
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+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
MISC metadata.xml 1375 BLAKE2B 321b7db8536061655a6efaa40110f4858633921292eba465b85fe0cb50280842e511f2f11385fe5d62bbdfb40e9c0c76e8e986a1efce8eac25d52c438d7ed5f4 SHA512 cc61e0b477f6576079a0f7910475b9091c1c521fbb48efab365d355e3c0a80cd19e1ea9028cb269d37c2572546b1be66a210512e40ff0f2d6314d1b0138cdba6
diff --git a/sci-chemistry/gromacs/gromacs-2018.8-r1.ebuild b/sci-chemistry/gromacs/gromacs-2018.8-r1.ebuild
index 4423a8eed2ad..fb79ed729b5a 100644
--- a/sci-chemistry/gromacs/gromacs-2018.8-r1.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2018.8-r1.ebuild
@@ -58,9 +58,11 @@ RESTRICT="!test? ( test )"
S="${WORKDIR}/${PN}-${PV/_/-}"
pkg_pretend() {
- [[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
- use openmp && ! tc-has-openmp && \
- die "Please switch to an openmp compatible compiler"
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
+}
+
+pkg_setup() {
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
}
src_prepare() {
diff --git a/sci-chemistry/gromacs/gromacs-2019.6-r1.ebuild b/sci-chemistry/gromacs/gromacs-2019.6-r1.ebuild
index cacbc3eef174..b04308aaa907 100644
--- a/sci-chemistry/gromacs/gromacs-2019.6-r1.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2019.6-r1.ebuild
@@ -61,9 +61,11 @@ RESTRICT="!test? ( test )"
S="${WORKDIR}/${PN}-${PV/_/-}"
pkg_pretend() {
- [[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
- use openmp && ! tc-has-openmp && \
- die "Please switch to an openmp compatible compiler"
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
+}
+
+pkg_setup() {
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
}
src_prepare() {
diff --git a/sci-chemistry/gromacs/gromacs-2019.6-r2.ebuild b/sci-chemistry/gromacs/gromacs-2019.6-r2.ebuild
index b01b57f54196..71a5399a8a70 100644
--- a/sci-chemistry/gromacs/gromacs-2019.6-r2.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2019.6-r2.ebuild
@@ -63,9 +63,11 @@ S="${WORKDIR}/${PN}-${PV/_/-}"
PATCHES=( "${FILESDIR}/${P}-missing-include.patch" )
pkg_pretend() {
- [[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
- use openmp && ! tc-has-openmp && \
- die "Please switch to an openmp compatible compiler"
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
+}
+
+pkg_setup() {
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
}
src_prepare() {
diff --git a/sci-chemistry/gromacs/gromacs-2020.4-r1.ebuild b/sci-chemistry/gromacs/gromacs-2020.4-r1.ebuild
index cd8f59f82ed7..3d38fc4523bb 100644
--- a/sci-chemistry/gromacs/gromacs-2020.4-r1.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2020.4-r1.ebuild
@@ -90,12 +90,11 @@ fi
PATCHES=( "${FILESDIR}/${PN}-2020-pytest.patch" )
pkg_pretend() {
- [[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
- use openmp && ! tc-has-openmp && \
- die "Please switch to an openmp compatible compiler"
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
}
pkg_setup() {
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
python-single-r1_pkg_setup
}
diff --git a/sci-chemistry/gromacs/gromacs-2020.7.ebuild b/sci-chemistry/gromacs/gromacs-2020.7.ebuild
index b5211f6374ac..2e38306eb66f 100644
--- a/sci-chemistry/gromacs/gromacs-2020.7.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2020.7.ebuild
@@ -90,12 +90,11 @@ fi
PATCHES=( "${FILESDIR}/${PN}-2020-pytest.patch" )
pkg_pretend() {
- [[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
- use openmp && ! tc-has-openmp && \
- die "Please switch to an openmp compatible compiler"
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
}
pkg_setup() {
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
python-single-r1_pkg_setup
}
diff --git a/sci-chemistry/gromacs/gromacs-2021.3-r1.ebuild b/sci-chemistry/gromacs/gromacs-2021.3-r1.ebuild
index 9ebdeb01146c..1ea7d0f255b7 100644
--- a/sci-chemistry/gromacs/gromacs-2021.3-r1.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2021.3-r1.ebuild
@@ -90,12 +90,11 @@ if [[ ${PV} != *9999 ]]; then
fi
pkg_pretend() {
- [[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
- use openmp && ! tc-has-openmp && \
- die "Please switch to an openmp compatible compiler"
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
}
pkg_setup() {
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
python-single-r1_pkg_setup
}
diff --git a/sci-chemistry/gromacs/gromacs-2021.5.ebuild b/sci-chemistry/gromacs/gromacs-2021.5.ebuild
index abf5ed8ec5ef..b797cea596be 100644
--- a/sci-chemistry/gromacs/gromacs-2021.5.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2021.5.ebuild
@@ -90,12 +90,11 @@ if [[ ${PV} != *9999 ]]; then
fi
pkg_pretend() {
- [[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
- use openmp && ! tc-has-openmp && \
- die "Please switch to an openmp compatible compiler"
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
}
pkg_setup() {
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
python-single-r1_pkg_setup
}
diff --git a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
index d9c7e8a5269e..8e32fc1644e1 100644
--- a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
@@ -88,12 +88,11 @@ if [[ ${PV} != *9999 ]]; then
fi
pkg_pretend() {
- [[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
- use openmp && ! tc-has-openmp && \
- die "Please switch to an openmp compatible compiler"
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
}
pkg_setup() {
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
python-single-r1_pkg_setup
}
diff --git a/sci-chemistry/gromacs/gromacs-2022.1.ebuild b/sci-chemistry/gromacs/gromacs-2022.1.ebuild
index 338c03cc2a11..6784e38c84da 100644
--- a/sci-chemistry/gromacs/gromacs-2022.1.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2022.1.ebuild
@@ -24,7 +24,7 @@ else
http://ftp.gromacs.org/gromacs/${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"
+ 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"
@@ -87,12 +87,11 @@ if [[ ${PV} != *9999 ]]; then
fi
pkg_pretend() {
- [[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
- use openmp && ! tc-has-openmp && \
- die "Please switch to an openmp compatible compiler"
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
}
pkg_setup() {
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
python-single-r1_pkg_setup
}
diff --git a/sci-chemistry/gromacs/gromacs-2022.9999.ebuild b/sci-chemistry/gromacs/gromacs-2022.9999.ebuild
index 655c647a73dd..101a76d94cf9 100644
--- a/sci-chemistry/gromacs/gromacs-2022.9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2022.9999.ebuild
@@ -85,12 +85,11 @@ if [[ ${PV} != *9999 ]]; then
fi
pkg_pretend() {
- [[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
- use openmp && ! tc-has-openmp && \
- die "Please switch to an openmp compatible compiler"
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
}
pkg_setup() {
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
python-single-r1_pkg_setup
}
diff --git a/sci-chemistry/gromacs/gromacs-2022.ebuild b/sci-chemistry/gromacs/gromacs-2022.ebuild
index 338c03cc2a11..80afa36142da 100644
--- a/sci-chemistry/gromacs/gromacs-2022.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2022.ebuild
@@ -87,12 +87,11 @@ if [[ ${PV} != *9999 ]]; then
fi
pkg_pretend() {
- [[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
- use openmp && ! tc-has-openmp && \
- die "Please switch to an openmp compatible compiler"
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
}
pkg_setup() {
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
python-single-r1_pkg_setup
}
diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild
index 655c647a73dd..101a76d94cf9 100644
--- a/sci-chemistry/gromacs/gromacs-9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-9999.ebuild
@@ -85,12 +85,11 @@ if [[ ${PV} != *9999 ]]; then
fi
pkg_pretend() {
- [[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
- use openmp && ! tc-has-openmp && \
- die "Please switch to an openmp compatible compiler"
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
}
pkg_setup() {
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
python-single-r1_pkg_setup
}
diff --git a/sci-chemistry/molequeue/Manifest b/sci-chemistry/molequeue/Manifest
index 1f5a79a5f87e..b5b5335d9eef 100644
--- a/sci-chemistry/molequeue/Manifest
+++ b/sci-chemistry/molequeue/Manifest
@@ -1,3 +1,3 @@
DIST molequeue-0.9.0.tar.gz 604015 BLAKE2B 37e7f404a0fefb40defb198295659372121fbe770269c2f9fb92e856aceb8222bec5e83939ecea061b76f925c0cbde1be0a854db41f992a92a2b2b9e0651f2e1 SHA512 87ddd8ca59227cab60c0ce2643e5bd435d9ac7e23b929659b95f190478734a5b71d4935f37d03eeadbc39939cbffb3604e0a283d50b0a23a1a000b57c1fce335
-EBUILD molequeue-0.9.0-r1.ebuild 1959 BLAKE2B a6e50572483f1670a2c743584ec1c2e7045fa145897418d01df5e68929e3a640b34d7b85d33973a6a47dd2e250862c0cc72fa7190fe62c2ed30ba32edeca4d8b SHA512 62405759c9d650a8ca21bc3a23208c93283111c194d721e334656a75daa42af70afb0c1ff7055b9d8b46f2c8193b37ce8b561ea7d1a2058cbc1eb57e64fe53b3
+EBUILD molequeue-0.9.0-r1.ebuild 2067 BLAKE2B 552c6b56e7b0907fa78b9e2d88f62f6768a5b08efe58afb6d039b1451e11324c21701ce4231086d685fdd1887f12a12d68e79a3cd444ec623c921b045a48c85a SHA512 7fe1f39d56b1d5131f01130d9b60e537b29c280835b69cca3f4d7f42b1a51d764de49301c22b41eeed72558e6419665af35447718aeb8fa3f14cc49951a9aa60
MISC metadata.xml 1258 BLAKE2B db62408b81fa39c138916de98df72a14b7d66bfaa7ac50e6afe5e138ce4d3627cbb7f0544e075ecdaff70b04ee6023d5f2381bd0f130d5075b060c5ed8bfabb5 SHA512 b4b028602d96c58d8744d016176361d41a1ac4c3dbb0e14edb3526d683cfdd8607ba3c627529edcdd5fe97ba484cb8e1fcaf797e4c4d0253f0bb2321a2140512
diff --git a/sci-chemistry/molequeue/molequeue-0.9.0-r1.ebuild b/sci-chemistry/molequeue/molequeue-0.9.0-r1.ebuild
index 5c4f667b458d..8901b0f81ce5 100644
--- a/sci-chemistry/molequeue/molequeue-0.9.0-r1.ebuild
+++ b/sci-chemistry/molequeue/molequeue-0.9.0-r1.ebuild
@@ -1,8 +1,8 @@
-# Copyright 1999-2020 Gentoo Authors
+# Copyright 1999-2022 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
-PYTHON_COMPAT=( python3_{7..9} )
+PYTHON_COMPAT=( python3_{8..11} )
inherit cmake python-r1 virtualx
@@ -66,9 +66,14 @@ src_configure() {
src_compile() {
if use zeromq; then
- python_foreach_impl run_in_build_dir cmake_src_compile all $(usex doc documentation "")
+ my_src_compile() {
+ run_in_build_dir cmake_src_compile all $(usex doc documentation "")
+ use doc && export HTML_DOCS=( "${BUILD_DIR}"/docs/html/. )
+ }
+ python_foreach_impl my_src_compile
else
cmake_src_compile all $(usex doc documentation "")
+ use doc && export HTML_DOCS=( "${BUILD_DIR}"/docs/html/. )
fi
}
@@ -81,7 +86,6 @@ src_test() {
}
src_install() {
- use doc && local HTML_DOCS=( "${BUILD_DIR}"/docs/html/. )
if use zeromq; then
python_foreach_impl run_in_build_dir cmake_src_install
python_foreach_impl run_in_build_dir python_optimize
diff --git a/sci-chemistry/molsketch/Manifest b/sci-chemistry/molsketch/Manifest
index 4bb9f63aef0d..74b2f1a2ef35 100644
--- a/sci-chemistry/molsketch/Manifest
+++ b/sci-chemistry/molsketch/Manifest
@@ -1,7 +1,4 @@
AUX molsketch-0.3.0-_DEFAULT_SOURCE.patch 661 BLAKE2B 48e877f41de2b27d1c6bbdac34d68893b58bf22e3d2ca8fa3e777f950f6906b100471b0a1287205e65bb5e97e9b3bd40b64377f513750ec039ebffdddbd0ea22 SHA512 9fd409ca55d5df0c61e84d3d9941f4855b7dcd32fd7521f24204570858dc6205c70ca4c645c5eee31bdc446a315e02081fa947677a4f22addce16ec4dad64c10
-AUX molsketch-0.4.1-more-quotes.patch 478 BLAKE2B 857f6a6f2514a4322f2a178aed0232f6f18d06831fea72ac8bbfa2cb806cdb2f73f2daeb4e9b8326be9dbd96518047c24f2721c3509d1551d90cfa80ca0105a8 SHA512 015344abb4aaa7f214e4e8a7eebe1a7a8f4d43b8a76a9c5f984fc4c5cf8da450430330543fe69d481ceec25c5a59ee332439654fd4ce82ce080aa4883cc1d113
-DIST Molsketch-0.4.1-src.tar.gz 1499842 BLAKE2B 22584f012e838037f9e23c16da6c63984604002884d279b2b6012d80eb08af9ee18b4d364fa29327572854fccad34840f97413b29b487cfbeb6496a2a8003d17 SHA512 263b088c2b8d01c1f13802b18aea6f6784580fe1a806de45b0e1ecd9f29024350e01a611bdeed1891938acc733a42746203d345d3be13ebaf4c309413e86bf26
DIST Molsketch-0.7.2-src.tar.gz 1907992 BLAKE2B 6bd099d963f352e66f73741273e9dee17f2fb299aec32b053ca39aa731a27f6a73093f98a4dbde2b6a97b85015016d1136fa4ead5f564006991b83072009ee6a SHA512 5e06f177ed4e7e8457215e07b623b1d92fa111f696fd7a106b0a6e8c56cc9c7d953fc33e0c0955c19766599d41a82519db95e12c0c49d3e4d3392311af3cc034
-EBUILD molsketch-0.4.1-r1.ebuild 1244 BLAKE2B afd73d8fcbdaa7bad2a61d4df7d7ec8e064eb204d549339328ee077e2dc75bc03d800fa16c2674e50af96f59054d21718f9422020564f7a991df16990cd4b622 SHA512 5aed6b4c27ce78c50e7dd0d12cfd18179d58500ce6c166f86c44d0edaba15e155c27e72acb77be07b7a562059b75e7c1cb03390275075cf03b7d6395b31de9b5
-EBUILD molsketch-0.7.2.ebuild 838 BLAKE2B 628cb8b51841fcf7d35f15a920a1eb07120e84a08b1de02538e97218ea1d497a0bbc3065e4a5097e3c66bfe391ff9411872ed54a4e93c5100207a8f441edce91 SHA512 b747ae529960160d5d8706e44032151533f529d58093277c12e93792270d62e7e4b4c42fbec1c9261605957e812f3a528da78517a9177e425cafbd7f084b3c79
+EBUILD molsketch-0.7.2-r1.ebuild 840 BLAKE2B cc57c4d1438e1cf546b3f62c8bee4d047f131f3b924a50819fec1b566e4e4ce792afc8f68db20cc5d16c2975b9e868440b3614e3a15feb118428bfcd73b3c1a7 SHA512 496ebfd5f1a9ae5f822e3ad665748763d47c8146f9d4fcc065661339bcfef07187c2d2c843ec4fb5c18f8716826d10fd7776d488e8e79a73045c1cdb8201ee2e
MISC metadata.xml 610 BLAKE2B f7e80a8160010e450b7808ab92056dc1f514a5cd985c335e853f0a92d1d86a0d5818a8d95c4ac5b26eb68fe67309bf1231f2455b2498209b840eea04a0006c20 SHA512 fc7180beb4202b3fd4cecb9e384fc8617e89e173e92d62bdcb8e2cb68c32ef57802e34a906ea5a7cc216a1f5b52579309a9a944a4307b31de4b2d1f3fcadf846
diff --git a/sci-chemistry/molsketch/files/molsketch-0.4.1-more-quotes.patch b/sci-chemistry/molsketch/files/molsketch-0.4.1-more-quotes.patch
deleted file mode 100644
index c32b975778eb..000000000000
--- a/sci-chemistry/molsketch/files/molsketch-0.4.1-more-quotes.patch
+++ /dev/null
@@ -1,11 +0,0 @@
---- a/libmolsketch/src/molscene.cpp
-+++ b/libmolsketch/src/molscene.cpp
-@@ -842,7 +842,7 @@
- void MolScene::dragEnterEvent(QGraphicsSceneDragDropEvent *event)
- {
- if (!event->mimeData() || !event->mimeData()->hasFormat(mimeType())) return;
-- if (!event->proposedAction() == Qt::CopyAction) return;
-+ if ((!event->proposedAction()) == Qt::CopyAction) return;
- event->accept();
- for (genericAction* action : sceneActions())
- action->setChecked(false);
diff --git a/sci-chemistry/molsketch/molsketch-0.4.1-r1.ebuild b/sci-chemistry/molsketch/molsketch-0.4.1-r1.ebuild
deleted file mode 100644
index 5b997ba272bb..000000000000
--- a/sci-chemistry/molsketch/molsketch-0.4.1-r1.ebuild
+++ /dev/null
@@ -1,60 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-inherit cmake qmake-utils xdg-utils
-
-DESCRIPTION="A drawing tool for 2D molecular structures"
-HOMEPAGE="http://molsketch.sourceforge.net/"
-SRC_URI="mirror://sourceforge/project/${PN}/Molsketch/Beryllium-7%20${PV}/${P^}-src.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
-IUSE=""
-
-DEPEND="
- >=sci-chemistry/openbabel-2.2
- dev-qt/qtcore:5
- dev-qt/qtgui:5
- dev-qt/qtprintsupport:5
- dev-qt/qtsvg:5
- dev-qt/qtwidgets:5
-"
-RDEPEND="${DEPEND}"
-
-S="${WORKDIR}/${P^}"
-
-PATCHES=(
- "${FILESDIR}"/${PN}-0.3.0-_DEFAULT_SOURCE.patch
- "${FILESDIR}"/${P}-more-quotes.patch
-)
-
-src_prepare() {
- sed -e "/LIBRARY DESTINATION/ s/lib/$(get_libdir)/g" \
- -i {obabeliface,libmolsketch/src}/CMakeLists.txt || die #351246
- cmake_src_prepare
-}
-
-src_configure() {
- local mycmakeargs=(
- -DOPENBABEL2_INCLUDE_DIR="${EPREFIX}"/usr/include/openbabel-2.0
- -DMSK_INSTALL_PREFIX=/usr
- -DMSK_INSTALL_DOCS="${EPREFIX}"/usr/share/doc/${PF}
- )
- cmake_src_configure
-}
-
-src_install() {
- cmake_src_install
- dosym ${PN}-qt5 /usr/bin/${PN}
-}
-
-pkg_postinst() {
- xdg_desktop_database_update
-}
-
-pkg_postrm() {
- xdg_desktop_database_update
-}
diff --git a/sci-chemistry/molsketch/molsketch-0.7.2.ebuild b/sci-chemistry/molsketch/molsketch-0.7.2-r1.ebuild
index 7dee9f3ea943..a7c230db81f9 100644
--- a/sci-chemistry/molsketch/molsketch-0.7.2.ebuild
+++ b/sci-chemistry/molsketch/molsketch-0.7.2-r1.ebuild
@@ -15,7 +15,7 @@ SLOT="0"
KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
DEPEND="
- >=sci-chemistry/openbabel-3
+ >=sci-chemistry/openbabel-3:=
dev-qt/linguist-tools:5
dev-qt/qtcore:5
dev-qt/qtgui:5
diff --git a/sci-chemistry/openbabel/Manifest b/sci-chemistry/openbabel/Manifest
index 85e159ec9039..42f0ac860e8d 100644
--- a/sci-chemistry/openbabel/Manifest
+++ b/sci-chemistry/openbabel/Manifest
@@ -1,7 +1,8 @@
+AUX openbabel-3.1.1-fix-time-check-cmake.patch 1030 BLAKE2B 4d6ecf7103cc96dbd96754b291700b58fc36bf84b67c24ccbb7e819b075992bec40808ae0bf9304b24e8943badf24d190e5ad80837a47ce15b15ab8df68ebb38 SHA512 dac73a275f64120d8697f24b75d08d4339dc62da301b8f53beae390ce254d7d656b6e8fb23b9f3829d677ed03f7a16f2dc2d5051854bfcb0bbebd17f1eaf2b6b
AUX openbabel-python.cmake 4402 BLAKE2B 36c325a26f9b23c3957db22110628a0a922ad02b6a7415fc197713d3df8f1703475bf2f2c53b546b7915466ce30b6b3c72c505ea72443dd23a17a7f9131f4f6e SHA512 a7bcdf90588930b05d11312429e735d3cc6a94053e67117bef6c1614932651abee7c4e082916482a9012622c0f29c3ba62dd7788b72aca6c88293660c7f2a3db
DIST openbabel-3.1.1_p20210225.tar.gz 36674527 BLAKE2B bb82fc96f704249d211bd86c73de0cf4e7cfe5e2ba5c745aa8b4f6f19583837e2181d85101377810095f6b71fc3b91bf2f6f5636726fc8271c6905f1f8c59e7b SHA512 9ff7cb4acbfad7a9c5c8d0dd8930ac0390d0d0f2758d1a6120009071f47ffe718f92ad620d37f26f196babb14649c52b5eb7bb161c342ef36aec655e0a172de4
DIST openbabel.jpg 12159 BLAKE2B b701df2b8c29df607dc2bd3997a282aa9a726d56c789ff2db900d33234dc691f76b6af12a4c9ccda4f09984504b863c40c39e8bf91058939996714ede2dd37c7 SHA512 998ea526c8c92f87dd203527fdd9f4e001357e951409209f41ab68e0b730fe12d97f9079c12ca289be413854ea2abcf8bb691ae5af823a6f29d6a590e1a3e2b0
DIST openbabel.png 29060 BLAKE2B 8d217d92125cc73462437411dd4e0cc05179cb0934f5ed15a307acc6b549b8ebab250a48a05ef7657f48c6df394f37da9b659de61efb1477b79b573a5b393ad3 SHA512 bbcaaa37663b526c9038ccb9edaf05ccc3ad1a861739a737f05f363098d8402a10b36e341fcc0aca636e809c6c32db99bf987b41719a0c756bf5e31444d3eb70
-EBUILD openbabel-3.1.1_p20210225.ebuild 7234 BLAKE2B 5ea580096819ba3df0b18fe713d04f7811d6c65016ca18492ee4a1deada357261580e87bae9fca8cf9a9eea8214ca0fd7f7ac22f1272cd8f2577dd88c207a44d SHA512 0323ef9d33b9efe318b59c2de88073c3c30c5d90f470f0e8426f9a7563595e1e5e7446130a72c1a747ea080df7ee9189e473e3fc3a5464b07efd2066ed1dac91
-EBUILD openbabel-9999.ebuild 7196 BLAKE2B 07a467606b08dfa7c4b81cb58b25afc37cb06330e8d0c5012896905a672c206c0690898950d1b9bca35ea5ddc5dc415516341fe5f3c2095db7b91f169b9300b9 SHA512 1c1214ad4eb0ec7128feedb5708f814d3910ab0c6adbdaa19b8e34c11968daa8d92efafa2685b69558f5b884f9c09f27f19d75db26a5e522c357081496f4f378
+EBUILD openbabel-3.1.1_p20210225.ebuild 7421 BLAKE2B 4ee4dbdd44516e9acc4ea2ee6c8805873c4077e52d20ffb741986d46883b42b4ea90cb4eca00558e9ef6240969c3188b4d65084f31314416c572e470e145d4d5 SHA512 b552e572cde4822cbca0a85acf39e4636ae91482701235be7976f3bed873868ef30dbfcd9574b3c7f1bc15ee9ee2e1006d08590bce65136601e2b6ebdd61e52f
+EBUILD openbabel-9999.ebuild 7312 BLAKE2B c0f5a879d31bf5f85d35cf60a126b40a61abe808cafd2c7dbc1772d90f41a237fba02508914e26fc5076a13d201e1e60aa51c2ae4536f6c61acb344ab5c0d634 SHA512 23a826bcefddbfbed9d79213c78d24781ebf0a18c36a7d76d38adb00d829904ef54018f80822d2385db43fa8dd159a8279d0810a7b082f1b2d29f2a262f3a5a7
MISC metadata.xml 862 BLAKE2B 56a35c050142f5a8939441d6a669986ad58321154f1a46fb78dcf6b861311bbb28d6f49507fff673519396533fbbfb8bf0214aa9dbdf1041ae7497c3287a3eb3 SHA512 7d289c49a91b4ae9a3910c6feb1014fa307ccc01b1e041e1aece7c8f135ac2eb1f5aae562dfd25d17e38d88c5747786a7406d6c09d10f74e80c08691599dec80
diff --git a/sci-chemistry/openbabel/files/openbabel-3.1.1-fix-time-check-cmake.patch b/sci-chemistry/openbabel/files/openbabel-3.1.1-fix-time-check-cmake.patch
new file mode 100644
index 000000000000..69e41211023b
--- /dev/null
+++ b/sci-chemistry/openbabel/files/openbabel-3.1.1-fix-time-check-cmake.patch
@@ -0,0 +1,32 @@
+https://github.com/openbabel/openbabel/pull/2493
+
+From: Sam James <sam@gentoo.org>
+Date: Sun, 12 Jun 2022 11:23:59 +0100
+Subject: [PATCH] CMake: fix time check typo (fixes build failure w/ GCC 12)
+MIME-Version: 1.0
+Content-Type: text/plain; charset=UTF-8
+Content-Transfer-Encoding: 8bit
+
+Without this fixed check, we get a build failure with GCC 12:
+```
+/var/tmp/portage/sci-chemistry/openbabel-3.1.1_p20210225/work/openbabel-08e23f39b0cc39b4eebd937a5a2ffc1a7bac3e1b/include/openbabel/obutil.h:65:14: error: ‘clock’ was not declared in this scope; did you mean ‘clock_t’?
+ 65 | start= clock();
+ | ^~~~~
+ | clock_t
+```
+
+Bug: https://bugs.gentoo.org/851510
+--- a/src/config.h.cmake
++++ b/src/config.h.cmake
+@@ -182,8 +182,8 @@
+ #define OB_MODULE_PATH "@OB_MODULE_PATH@"
+
+ #ifndef TIME_WITH_SYS_TIME
+- #ifdef HAVE_SYS_TIME
+- #ifdef HAVE_TIME
++ #ifdef HAVE_SYS_TIME_H
++ #ifdef HAVE_TIME_H
+ #define TIME_WITH_SYS_TIME 1
+ #else
+ #define TIME_WITH_SYS_TIME 0
+
diff --git a/sci-chemistry/openbabel/openbabel-3.1.1_p20210225.ebuild b/sci-chemistry/openbabel/openbabel-3.1.1_p20210225.ebuild
index 97dfa6e9a236..0eb8ddaa0cf5 100644
--- a/sci-chemistry/openbabel/openbabel-3.1.1_p20210225.ebuild
+++ b/sci-chemistry/openbabel/openbabel-3.1.1_p20210225.ebuild
@@ -80,8 +80,16 @@ RDEPEND="
)
"
+PATCHES=(
+ "${FILESDIR}"/openbabel-3.1.1-fix-time-check-cmake.patch
+)
+
+pkg_pretend() {
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
+}
+
pkg_setup() {
- use openmp && tc-check-openmp
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
}
prepare_python_bindings() {
diff --git a/sci-chemistry/openbabel/openbabel-9999.ebuild b/sci-chemistry/openbabel/openbabel-9999.ebuild
index 2c73801d2362..956b061aed0f 100644
--- a/sci-chemistry/openbabel/openbabel-9999.ebuild
+++ b/sci-chemistry/openbabel/openbabel-9999.ebuild
@@ -80,8 +80,12 @@ RDEPEND="
)
"
+pkg_pretend() {
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
+}
+
pkg_setup() {
- use openmp && tc-check-openmp
+ [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
}
prepare_python_bindings() {
diff --git a/sci-chemistry/pymol/Manifest b/sci-chemistry/pymol/Manifest
index 5ad4d5152a40..84f6ed606d41 100644
--- a/sci-chemistry/pymol/Manifest
+++ b/sci-chemistry/pymol/Manifest
@@ -1,4 +1,5 @@
DIST pymol-1.8.4.0.png.xz 19528 BLAKE2B f3d23d4cedca3d8bb96b20646a548da4be570697e3346a11b01c5c3599b536ba4697be08472dfa8a4f6533167defc1a37a1de332931a73857319cb28fd42cd2b SHA512 40bb0d3f226476f6e047b5361956aad955232a97641474765eaa5204f0539aee3810e0266213618a45364f9f31f6eb18380b17e0c79f64065f7b62a9016caa7c
DIST pymol-2.5.0.tar.gz 10470268 BLAKE2B ad3721432001053be93afe755f531ae47348213b042e84dae33cd79580428c9ac3d00629afa0222e4081807dc80e2dd69c3963a457666b5975b6263b988d02d9 SHA512 19f21b8f735fda5314abf202d56f3c81c7251bf6ef0df73ccee534d9c08035f4ef6155ffb68e09d7717a0fb5ba7289bbfa440691bea4cec0de7199c9e858ea91
+EBUILD pymol-2.5.0-r1.ebuild 2598 BLAKE2B 09303cf04d36851473577d87508a500bd63e9d69f1e57ebefaa466a7ef7ca2bcda751d90b39e79adad2d8a4640927bd4a00bc5e9b229c5927ed922bc2a624652 SHA512 bd0e4cebf1c28a7f9d7cc57f401fa2f1d3a4d9cbaa8ca59e8ca081d76dcef67d3938702d596ab2bd44afb89ae959dcb49a79feabe8570b965774762215137c60
EBUILD pymol-2.5.0.ebuild 2551 BLAKE2B 478607dae22f4715cfc3cae170a7154dd83c6fd84c69ac1b456c85de6e767b95b99b5f333c1a41c8b43ad85189ba8cc94f8e6137d0360d87edecdc7b41c72356 SHA512 8908ac67fdc6a94cc61dcc90a3f96b450b0f2509aa59107a9f1931c89a8f448be3056e5715bc0230243f84aaae769fea15257ac6e8f759675bc41335b9f72eec
MISC metadata.xml 440 BLAKE2B ee3a427d21cd25ce455b61c40767eec9ded9718fa835f545b0849e24451d2004a149bd25df36e59c94d53f3fc27b3d747ac051f82db6aec593645e54a335d884 SHA512 848b215441a66d3ebcda4c06733dc6ce879b738e5210f9e20d309d2aed11f1dd6f2d267e0a4ecb702b43dc5cc9925cb026aff2a16ded4b35dce7c38607438417
diff --git a/sci-chemistry/pymol/pymol-2.5.0-r1.ebuild b/sci-chemistry/pymol/pymol-2.5.0-r1.ebuild
new file mode 100644
index 000000000000..cf2591c61323
--- /dev/null
+++ b/sci-chemistry/pymol/pymol-2.5.0-r1.ebuild
@@ -0,0 +1,98 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+PYTHON_COMPAT=( python3_{8..10} )
+DISTUTILS_USE_SETUPTOOLS=no
+
+inherit desktop flag-o-matic xdg distutils-r1
+
+DESCRIPTION="A Python-extensible molecular graphics system"
+HOMEPAGE="https://www.pymol.org/"
+SRC_URI="
+ https://dev.gentoo.org/~pacho/${PN}/${PN}-1.8.4.0.png.xz
+ https://github.com/schrodinger/pymol-open-source/archive/v${PV}.tar.gz -> ${P}.tar.gz
+ "
+LICENSE="BitstreamVera BSD freedist HPND OFL public-domain UoI-NCSA" #844991
+SLOT="0"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos"
+IUSE="+netcdf web"
+
+DEPEND="
+ dev-libs/msgpack[cxx]
+ dev-libs/mmtf-cpp
+ dev-python/pyopengl[${PYTHON_USEDEP}]
+ dev-python/PyQt5[opengl,${PYTHON_USEDEP}]
+ dev-python/numpy[${PYTHON_USEDEP}]
+ dev-python/pmw[${PYTHON_USEDEP}]
+ media-libs/freetype:2
+ media-libs/glew:0=
+ media-libs/glm
+ media-libs/libpng:0=
+ media-video/mpeg-tools
+ sys-libs/zlib
+ netcdf? ( sci-libs/netcdf:0= )
+"
+RDEPEND="${DEPEND}
+ sci-chemistry/chemical-mime-data
+"
+
+S="${WORKDIR}"/${PN}-open-source-${PV}
+
+python_prepare_all() {
+ sed \
+ -e "s:\"/usr:\"${EPREFIX}/usr:g" \
+ -e "/ext_comp_args.*+=/s:\[.*\]$:\[\]:g" \
+ -i setup.py || die
+
+ sed \
+ -e "s:/opt/local:${EPREFIX}/usr:g" \
+ -e '/ext_comp_args/s:\[.*\]:[]:g' \
+ -i setup.py || die
+ sed \
+ -e "s:\['msgpackc'\]:\['msgpack'\]:g" \
+ -i setup.py || die
+
+ append-cxxflags -std=c++0x
+
+ use !netcdf && mydistutilsargs=( --no-vmd-plugins )
+
+ distutils-r1_python_prepare_all
+}
+
+python_install() {
+ distutils-r1_python_install \
+ --pymol-path="${EPREFIX}/usr/share/pymol"
+}
+
+python_install_all() {
+ distutils-r1_python_install_all
+
+ sed \
+ -e '1i#!/usr/bin/env python' \
+ "${D}/$(python_get_sitedir)"/pymol/__init__.py > "${T}"/${PN} || die
+
+ python_foreach_impl python_doscript "${T}"/${PN}
+
+ # These environment variables should not go in the wrapper script, or else
+ # it will be impossible to use the PyMOL libraries from Python.
+ cat >> "${T}"/20pymol <<- EOF || die
+ PYMOL_PATH="${EPREFIX}/usr/share/pymol"
+ PYMOL_DATA="${EPREFIX}/usr/share/pymol/data"
+ PYMOL_SCRIPTS="${EPREFIX}/usr/share/pymol/scripts"
+ EOF
+
+ doenvd "${T}"/20pymol
+
+ newicon "${WORKDIR}"/${PN}-1.8.4.0.png ${PN}.png
+ make_desktop_entry "${PN} %u" PyMol ${PN} \
+ "Graphics;Education;Science;Chemistry;" \
+ "MimeType=chemical/x-pdb;chemical/x-mdl-molfile;chemical/x-mol2;chemical/seq-aa-fasta;chemical/seq-na-fasta;chemical/x-xyz;chemical/x-mdl-sdf;"
+
+ if ! use web; then
+ rm -rf "${D}/$(python_get_sitedir)/web" || die
+ fi
+
+ rm -f "${ED}"/usr/share/${PN}/LICENSE || die
+}
diff --git a/sci-chemistry/tinker/Manifest b/sci-chemistry/tinker/Manifest
index 723716380ebd..c426121ecf3e 100644
--- a/sci-chemistry/tinker/Manifest
+++ b/sci-chemistry/tinker/Manifest
@@ -1,4 +1,4 @@
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 2269 BLAKE2B 81d02427bcbf41fe29eca4f9384b59a4be911acfed3ac7881cf1b96f1dac86aaaaa7412820d82807db2a5bc28c1b775b3097f7f5dfe9d1cdc175e39fc4f0a323 SHA512 cdbf3912bc1b45da9e2c84b1edda74b6dc1e80b922bf7dc5201e51c0bc3a42c142720c9c23128b4622c853cde38f396295dea96e24a40b797dae430b8a1191c9
+EBUILD tinker-8.2.1.ebuild 2310 BLAKE2B bec87fef793e09143154b3d22b60dd7532469e87c10a67378b8fd87273b61b577478a7f21622ce6432339f8ca864cb3271aa23a20bb62f46269504d510869cf3 SHA512 9226fc0afc7e7d545376f09cda475f5ed7eda11cddcf099e4ecf4cd62ae478a4def5498a7ff5ebc8d80c32c54783fbb017e482aa322ca9e91f33204c79bd96c4
MISC metadata.xml 266 BLAKE2B a03b1fcf7148cf43fb829f619c218219bcd4e66c45d12f563113401e3ae0b06cb0df9a8c0af01ea97e21453638d627d420e7df5b9b0d330ef1752253faa8aa32 SHA512 1dc293fa0d0296eba18ac2cbcd57f47ffc6cc822bf0d76e1cc86cb046700201f703d705375b5555b88cbe8780ef3750be05b8f9f8de092693e6d165c1734e049
diff --git a/sci-chemistry/tinker/tinker-8.2.1.ebuild b/sci-chemistry/tinker/tinker-8.2.1.ebuild
index bef87a09bfaa..a54f1ecb210d 100644
--- a/sci-chemistry/tinker/tinker-8.2.1.ebuild
+++ b/sci-chemistry/tinker/tinker-8.2.1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2021 Gentoo Authors
+# Copyright 1999-2022 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -31,10 +31,15 @@ RESTRICT="mirror"
S="${WORKDIR}"/${PN}/source
+pkg_pretend() {
+ [[ ${MERGE_TYPE} != binary ]] && tc-check-openmp
+}
+
pkg_setup() {
+ [[ ${MERGE_TYPE} != binary ]] && tc-check-openmp
+
fortran-2_pkg_setup
java-pkg-opt-2_pkg_setup
- tc-has-openmp || die "Please use an openmp capable compiler like gcc[openmp]"
}
src_prepare() {
diff --git a/sci-chemistry/vmd/Manifest b/sci-chemistry/vmd/Manifest
index 322fabca2a0e..c973e7e93f6e 100644
--- a/sci-chemistry/vmd/Manifest
+++ b/sci-chemistry/vmd/Manifest
@@ -1,6 +1,7 @@
DIST vmd-1.9.4_alpha51-gentoo-patches.tar.xz 14604 BLAKE2B f8621956785d365cc056ba53373120d8f99da1476ab9789af6bb8ef00b8dd8c2a4c3599d75e13eba2fc5630b291aed966ce64f7f408504b079e3e994e45da243 SHA512 c57fd81e667e405ab1208a4e4a1d63710e593c07f554420c32980becd3547c2df98fbf6e439a53a626121fc361559f1ba53ab7b7235c97422bba61ece59d23bc
-DIST vmd-1.9.4a51.src.tar.gz 42826371 BLAKE2B 239d87f975c41a71096083028c1db8bf40cc058fc687fd9fff3c14c97c9b12bd68818d4c2eaeefd8c95c661409f1f056bce42178d0ba9271aa344fdce6f81ea9 SHA512 b42af6a4a7b1d2f0d242f89bff3a1c25a608ff59b9902b90154ba82a40439afb802a2d319363fa388a5211420fdaf0ee9bfd1f0a0e6e85d89d1dd506b373ba40
+DIST vmd-1.9.4_alpha57-gentoo-patches.tar.xz 14612 BLAKE2B e50a2fc734038207174dd5cc525f01824ce324a65b8ce604f83862ce50be6b1950d199188a717e2368b2b050256a4705662009e3530d621b19c52bb109b6a844 SHA512 6283076e47dfcd780bbc94f9ca2b044a028a472c09d78616d373813d81ec764bf1697e56a8f487f9f0999cf409c0f141bf248156f60851073347d1b640a6953c
DIST vmd-1.9.4a55.src.tar.gz 43049895 BLAKE2B 311fdbf8742647d1dbba8346e8559d26b19ec445bb5df4b23f684c5769997e2261e200b8118668d296654f59ab340fc150f5aa33fc808ad55f2e78ce7030960b SHA512 1be5f50555423120fd8c5c335a346a40253fb80cc352f08907d864f6b34d3debe28d9a3fbf821c3a6c7c86c615fd09735c05aadf1b4503722075e9ab0b946378
-EBUILD vmd-1.9.4_alpha51.ebuild 7598 BLAKE2B fa0cdea71d0a85069b197d40e6d3cbc54a3136646bf18c6a9a702e591f2bbaed15606499923e8d75d1996f7e99fbd48604892add5fa16dd161cacda548df784d SHA512 8c9231669f17c59892114ee3aaf5f5d32b5c1b451795d8bcd1e7366bbf9d13723938140acf7e9e7504844e996986a96343df75ad9f4204ed5c14bec63ac0d7c4
+DIST vmd-1.9.4a57.src.tar.gz 43155120 BLAKE2B de0da96f6681c24e7b1d38890f109088187198cbdddb3d86d783322e837b7a71224085699f3addf2833cf293ab2689f06ab47df284b8fbe080162740094ae844 SHA512 0a3726d8fa279ac62c368cd18724cd09535618454ff6e299d147291ef5d4198ad9d58a94f0b05699ec8a23128753c55e7397c95a5ce194e36d3fabef1bcf454c
EBUILD vmd-1.9.4_alpha55.ebuild 7532 BLAKE2B 199eca3740403900b2b0244fda566db7f95406373075544a59c8c730ff48447ed591f34649440551eb49eea472e2b67f7bb1cdab831a5fac2f2bc95618a860e6 SHA512 965d281384e5eb5df46241c015febad2b9f260a0ef66587b9ae64b06822c52f721952647770d484e2e670faeca7640c2a1c93ed1cfac316249fa6d6c99c64fca
+EBUILD vmd-1.9.4_alpha57.ebuild 7530 BLAKE2B a94aa1d7b6c565e0eab1605bf8019751cda5b3c26ea301c9d5a76d0c171f5ab89f5d74b2fd3a54ce87365cc7dea6afc7ad91d2b1fdd32a2bcfd4ddf668f63bb7 SHA512 e54a2b5ccc38ea7b43121414b08a565f613ce35681e47dc2dbfa987ab53cd28b7355e11a5307d1397b9e7388b7897cdb6e11ee3fa3623495fb6dc16745e514d3
MISC metadata.xml 779 BLAKE2B 5d824ae91cfeb1b482fb2cf1e5f8968dffe1abea898d26dc6e4949d7ba86396474964c847ee511d19d00769ed2bdf0f9a4daa7bfa779985308a93636dccfba82 SHA512 05de02395a8220118a2694df845ac125e0b2eb2720a699cbda2a84b73487ae14cb44077140698c109b5f58c30a1815b2a670a02121f85b70b90f75e40a9764d9
diff --git a/sci-chemistry/vmd/vmd-1.9.4_alpha51.ebuild b/sci-chemistry/vmd/vmd-1.9.4_alpha57.ebuild
index f4678f8d788b..d4c354c5bd35 100644
--- a/sci-chemistry/vmd/vmd-1.9.4_alpha51.ebuild
+++ b/sci-chemistry/vmd/vmd-1.9.4_alpha57.ebuild
@@ -1,8 +1,8 @@
-# Copyright 1999-2021 Gentoo Authors
+# Copyright 1999-2022 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
-EAPI=7
-PYTHON_COMPAT=( python3_{8..9} )
+EAPI=8
+PYTHON_COMPAT=( python3_{8..10} )
inherit cuda desktop flag-o-matic prefix python-single-r1 toolchain-funcs xdg
@@ -13,7 +13,7 @@ MY_PV="${PV/_alpha/a}"
MY_P="${PN}-${MY_PV}"
SRC_URI="
${MY_P}.src.tar.gz
- https://dev.gentoo.org/~pacho/${PN}/${P}-gentoo-patches.tar.xz
+ fetch+https://dev.gentoo.org/~pacho/${PN}/${PN}-1.9.4_alpha57-gentoo-patches.tar.xz
"
SLOT="0"
@@ -62,7 +62,7 @@ S="${WORKDIR}/${MY_P}"
VMD_DOWNLOAD="http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=VMD"
-# Binary only plugin!!
+# Binary only plugin
QA_PREBUILT="usr/lib*/vmd/plugins/LINUX/tcl/intersurf/bin/intersurf.so"
QA_FLAGS_IGNORED_amd64=" usr/lib64/vmd/plugins/LINUX/tcl/volutil/volutil"
QA_FLAGS_IGNORED_x86=" usr/lib/vmd/plugins/LINUX/tcl/volutil/volutil"
@@ -70,16 +70,15 @@ QA_FLAGS_IGNORED_x86=" usr/lib/vmd/plugins/LINUX/tcl/volutil/volutil"
pkg_nofetch() {
elog "Please download ${MY_P}.src.tar.gz from"
elog "${VMD_DOWNLOAD}"
- elog "after agreeing to the license and get"
- elog "https://dev.gentoo.org/~pacho/${PN}/${P}-gentoo-patches.tar.xz"
- elog "Place them into your DISTDIR directory."
+ elog "after agreeing to the license."
+ elog "Place it into your DISTDIR directory."
}
src_prepare() {
# Apply user patches from ${WORKDIR} to allow patching on patches
# subdir too
cd "${WORKDIR}"
- xdg_src_prepare
+ default
# https://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/32121.html
# https://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/32116.html
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 6caa622f20e8..e14b3fbd9b5b 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1,4 +1,4 @@
DIST votca-2022.tar.gz 61688862 BLAKE2B a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c SHA512 ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
-EBUILD votca-2022.ebuild 1870 BLAKE2B 2a2da4de25e4f8e78b01c0e35634ebb3d02e6947da2326a0b13cca2ae1eba7039485f1ea53d63ebdd774ed396dbe0bc627748431c143a61843711771b90f22a4 SHA512 ec0618843098687df15bf63a8ac460957565d08a66fc7ae82bbe844eb7dcdb5ddfef50e4cf81deb3af30f30210c866e62ed93d947951375ecd6e4d22a7f4dfeb
+EBUILD votca-2022.ebuild 1868 BLAKE2B e21b0d7f55a69f4ae3176fb7254aa92f7e23eeb99b5561c671f567c60430e0d74cb574e1b39c9ef1ecc144d1f4d6abd976ccfed3e47faa61043498d927cbfc2e SHA512 792da7d299b68ba6584d233d9da974b7bed994f11bdf3e8d038f2df75b86871336801939aea9ea23aabd9bfcb7889fce1b62b3f25e335b0275e67867435ccc26
EBUILD votca-9999.ebuild 1870 BLAKE2B 2a2da4de25e4f8e78b01c0e35634ebb3d02e6947da2326a0b13cca2ae1eba7039485f1ea53d63ebdd774ed396dbe0bc627748431c143a61843711771b90f22a4 SHA512 ec0618843098687df15bf63a8ac460957565d08a66fc7ae82bbe844eb7dcdb5ddfef50e4cf81deb3af30f30210c866e62ed93d947951375ecd6e4d22a7f4dfeb
MISC metadata.xml 579 BLAKE2B fc22a14bfa99c926b2c5b2071a10b6dd78baab670551c817c4c4f2e5e6a2e13c5fa216fe7a2aa455f15fbf1c8ae488a06b99960830a2d4fb6a82a6a0a277e233 SHA512 89a2c88dc5dc5e06ccd4e1830caa58e0d74f93e1742f4658ed27b6f41be3bd6924da47dc70cd7fcdce9837ceac4012dfeca39e8bf19d0451f044568d00743539
diff --git a/sci-chemistry/votca/votca-2022.ebuild b/sci-chemistry/votca/votca-2022.ebuild
index 0962e065f91d..95c32eda807a 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz -> ${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi