diff options
author | V3n3RiX <venerix@redcorelinux.org> | 2020-11-25 22:39:15 +0000 |
---|---|---|
committer | V3n3RiX <venerix@redcorelinux.org> | 2020-11-25 22:39:15 +0000 |
commit | d934827bf44b7cfcf6711964418148fa60877668 (patch) | |
tree | 0625f358789b5e015e49db139cc1dbc9be00428f /sci-chemistry/gromacs | |
parent | 2e34d110f164bf74d55fced27fe0000201b3eec5 (diff) |
gentoo resync : 25.11.2020
Diffstat (limited to 'sci-chemistry/gromacs')
-rw-r--r-- | sci-chemistry/gromacs/Manifest | 28 | ||||
-rw-r--r-- | sci-chemistry/gromacs/gromacs-2018.8.ebuild | 7 | ||||
-rw-r--r-- | sci-chemistry/gromacs/gromacs-2019.5-r1.ebuild | 7 | ||||
-rw-r--r-- | sci-chemistry/gromacs/gromacs-2019.6.ebuild | 9 | ||||
-rw-r--r-- | sci-chemistry/gromacs/gromacs-2020.4.ebuild (renamed from sci-chemistry/gromacs/gromacs-2020.1-r1.ebuild) | 15 | ||||
-rw-r--r-- | sci-chemistry/gromacs/gromacs-2020.9999.ebuild | 37 | ||||
-rw-r--r-- | sci-chemistry/gromacs/gromacs-2021.9999.ebuild (renamed from sci-chemistry/gromacs/gromacs-2020.2.ebuild) | 35 | ||||
-rw-r--r-- | sci-chemistry/gromacs/gromacs-2021_beta2.ebuild (renamed from sci-chemistry/gromacs/gromacs-2020.3.ebuild) | 35 | ||||
-rw-r--r-- | sci-chemistry/gromacs/gromacs-9999.ebuild | 57 | ||||
-rw-r--r-- | sci-chemistry/gromacs/metadata.xml | 2 |
10 files changed, 129 insertions, 103 deletions
diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest index 015a4eab9de9..aaf56d6ffa8d 100644 --- a/sci-chemistry/gromacs/Manifest +++ b/sci-chemistry/gromacs/Manifest @@ -2,24 +2,22 @@ AUX gromacs-2020_beta1-pytest.patch 630 BLAKE2B 1036e06589c24459006f0b579ee89c9d DIST gromacs-2018.8.tar.gz 29913703 BLAKE2B 8780032305928067fbfe1559efe9eedc4d47e27ab2f6ab54d6dba39edfcbeefbee4673d8910009048a850620b5a08ba8feb622db652c439cfa50a149ec5f0015 SHA512 6717895942f2ab7b54019511ed2aebadadde8e96d3c4b7414bb9168ffe418432d2dee330192e199f7b9d2f665c71f5d4f1ef0911aa7243d525a2ca182ef5b122 DIST gromacs-2019.5.tar.gz 33445791 BLAKE2B 1e2e2764b0c8774c878abf4f32c2fa7ddd9b46f464cf1256deb48335433d92ef1b315f5534cdec9f766ae928a71361b5a4dd4a4def638269eb260ff98dbbe8bb SHA512 fdd177e4dfd29629b72bfbb4d61ff7bcdb37279f534883a9df8fd57569212fe1e9f8b8c9cec347fcc607539f31412d604d11ee3c0eb797251960435962b1bec6 DIST gromacs-2019.6.tar.gz 33446147 BLAKE2B adc21fb6b841b06d499607f8c0166a673645ef5af0b40bd823d0fff5ea24397e6301c5e1e0070986ae1ce1deba8a42052b66da148b071c1e21f2fe3908fee275 SHA512 7c227a9539e5775d5d128ae9e872a24181d79cdcd2852b86453597987e8d7332ecec371da65d089f6e610c54aafbccc8824ce298743383dd6240719ebee692a8 -DIST gromacs-2020.1.tar.gz 29153989 BLAKE2B b1c0313da945c57c74040c2bcd50495b238b0e131cc4ebecd74ae0d01465b47d732ea456a52a2f9d998cd37e2bfdb93d52bd15177328c4b7a14e6b1d8bc00117 SHA512 130394ec70e5d75ea451e9fa77c4ea2dd4adb0c51cc7663ac8579972bab7a0b75d9143d0eebb21802fc93305deca8831393a8cb3f51b6d01f9477f3dadece037 -DIST gromacs-2020.2.tar.gz 29144614 BLAKE2B cd20b031dcec32d9a797d66f2679779077910c184702f12f12093d92e8417d42e07bfb17a8fe63e9d29a889d5f57461b5f86e11adfc26635f8d2b5a5df19473a SHA512 348c80fad93b34e6703906fec97c6c2294c0803c326d6145776b732e1c33cd58e0967ddb2ec4799e3583542c09e7a6a015e4d084d60cf97b81b3a92253cca76c -DIST gromacs-2020.3.tar.gz 29143950 BLAKE2B ea88fcacc3958f1123c1fe4852f7160a04e4daff15dd2eb87c23197bff2e6379f396df0747b078dc86e7bb909ecbb4b6d98530a34234c989a636dbdb2327562d SHA512 8dbd13f8c6dd9ac337e0bea683aeff38010ee9b4ef438de230beb76e5a54884a5c1eda72f20294b7920758978e247900ac3db32b95c7452350fc1f5ef0a4bcc8 +DIST gromacs-2020.4.tar.gz 29149899 BLAKE2B a07c8efd96137d58c1edf4ac9b5aafeb16d9e65234b9459b71471827032654acacb58ed6ae87ec6e0e593a0acd799683cc4461b06cc883b089d740708619345e SHA512 0c56f058741af70660baf0177724ec940dd984c05ea141ede91ee51ce3744f76d00e31bdb5db907e46fa1639de5dca637b3ace26e89f908c2e74c69f0c21ed3a +DIST gromacs-2021-beta2.tar.gz 30133767 BLAKE2B 01a8125b8d22c2642d7310e994b3333a44108fc35042b72180e8987a965af1b234ef1b009f822e1f5946f40e296c88ef0268e789698070805df0a71964a3341d SHA512 69f8638df183c0bd83b374cae5848ba356b9493d1fb853ce871270eb3d9c4310828ba9f901a8d95eea284d4929fd0d186bce4b2ebbd2ee4c198790935e0f6ec5 DIST manual-2018.8.pdf 10025023 BLAKE2B afb0a6e6a72d78df743fcb57e7c1716848589e571dd35167b957a9b407ca27978ccfb6cb9e0df9c9439b888f352501a00ba32281ed1e0b4193bd606f1d77152e SHA512 b1972f7ce965bfc9377542993c5943ea4868a8ed23a969d4203264746d6bea3a7a65c6379196ece37fd6d68ec7ec80f827bde87d1049284af7082759a124f1d5 DIST manual-2019.5.pdf 12702361 BLAKE2B cb80429a59019b190115bf2af689c0df23b0fec6e41a9ebc9eba20977d1b06eed79044c906c41228883767f673140e15d3a5ef947a0c1ec4fe84012089f4fa91 SHA512 baf27961b87e6120c49abc9dc58e25d12a15588b4ac787e1a086748d488692d4a1262229ac66e550d3cca3a6042545fb6ec472a2c98d6a8698b7a18b4397f605 DIST manual-2019.6.pdf 12702376 BLAKE2B c350127bc06a9eb3dee73da39037c84daeb89500e23cb131bd19a150bf60602d4dde7611e0c6f0f344af4093e96a899303dac71b4df56fd0c44c3a48a56606b7 SHA512 dfdff67c2c1c9ce1f1c236b7686c5331b0fe86951da6c98eddd6a3e748815e0be0a9653ae4318469fcdd913c4e7c355d64a997cc80b9d9fbe6282ef6d98e61eb DIST regressiontests-2018.8.tar.gz 67855469 BLAKE2B 34c9b339f6229f483afbb5192ee6ba8b8f72d5c26907a853af9c53dfece0d88739e48f6b44b78d1c010f988f9385d077285300522164f533a5861e9dda879275 SHA512 3642389d27bd1942cd0f091c940ae97b197b94856a387fe581dc516b0d4169480f16551d4ba357f9282b3337d605c286d51dd38112ac87c826dda634904836bb DIST regressiontests-2019.5.tar.gz 67643634 BLAKE2B c4d9535d9a8a650869d67544ad5f367324f45e55325bb5074ece9b010f232f2f0dd97c9af97924d3f2368ed63015ca7330baff1cc681310e1439ec330b70ee8d SHA512 7c0917b76e7db35ab4e3271d523d268e0e2d858091e68ead863bfe6d1e56b381e30fdbf44f479f6e065c029e2eb27cfa0dbaa1b243f185144321aaf5084c55ce DIST regressiontests-2019.6.tar.gz 67643195 BLAKE2B 1e054e24b187946f7ea28090d4f20cf8e1d79a26253f57ba07d130e0773d8541b8a1552a38023d31a68ce8bc62d8e0af1d98609234bb3e7d3e6d567307ebb386 SHA512 eacf1c55b982515a305c29459fe80a7cd558a8481e5689962aa956148af542568b1d1ce59c6784ecb0afd4768c2b664afa21e12af2d89ae2b06b1ba61ad72036 -DIST regressiontests-2020.1.tar.gz 48541809 BLAKE2B 0fec2f0fb7fad0ad48bb790d7df6487e2c1931a0a2134795bf7da4a9087f0f2a3743288fc4ec057fa6b22412c2d8f312cfa3af38be8c5bea51d7a06afb5ac9f0 SHA512 664d29ce39629ed218de65179ce4a73e479d73d30bc96f5ae57624d7e4447298c6122dc09e7873b8cad458eaee0530866411fab20e009e46bf39b133e0de47e8 -DIST regressiontests-2020.2.tar.gz 48539492 BLAKE2B 08222ec18e70f551194fc0a060facda394c0d9999e162dace06029aa5f36e7237aeb2468a80d1198257a45fb076f8f633a7279a85976484900bf4154176aa070 SHA512 3066d92a59dafade78807612681d82a7b8a0bd9b74fa7e8784063a908418c55b4427482dc7feb261ff6981fabb2d64a800d3e90ed647ab45e201f4847347bac7 -DIST regressiontests-2020.3.tar.gz 48541439 BLAKE2B c8b3840b76b7974e5efd518d02da2be3c8e685a420462962cf4ffb7b234bd5ffec0fb83adc962e4ce4716098667e1431f7bc46911bf5400f369881c697c1d0cb SHA512 84848210b2c4c0387c3f347237d58a114bd28c2d248f359e40a4a5b3557fca7763c431d1e03f167dcf22296a48dd47413a644238d72edc1414e3f830dd732416 -EBUILD gromacs-2018.8.ebuild 6958 BLAKE2B 17452127d480265b57b435d84de5860729860e72a47f89ced75cfa18e9efc1b6dc478785545a86313e9fc6a93647d1ae9f4b78167654acc0a95288215df3d35a SHA512 a2c23b418af81162c22b06d4b5fe2114d09288f314dacb6ca7a5b0fecd50a3bf0069237ec036da8c420b133daaf1eef43d40d1b13c525df8f362f9a0a7b9ec51 -EBUILD gromacs-2019.5-r1.ebuild 7280 BLAKE2B 9d26c304b6e67d00a69d6919daf2bde5b542c9e1c5e1e2f44a2fb1350986a1175737bc9f7325c71cca8479a3e90fca63a0debb01eff5bb94113533a0be364839 SHA512 c991901aed3149fa7872f02647aaff424bd93508157c0f734cc0b14b9f81fe55ff996d8a5a7fb7ba1514cf737047cfbd389a54804d2b5659d728df6f004a847e -EBUILD gromacs-2019.6.ebuild 7283 BLAKE2B 00055c4ba5cf660237d73232aa7a76857bc141eaa79fdbf81985d337c134123ad7fd92b69d017425ec3f11eb2f367a25e8c4168b948f1092b2a1e538cb991886 SHA512 c307ea57a5b7c468ddd454ee97743643363121757c50cda948398090fa9368dc7b52255e6c3a261565894edd77f91d62c221841c1aca3644691c7fb9a0a8d5ef -EBUILD gromacs-2020.1-r1.ebuild 9844 BLAKE2B 9568558d0558311ed7a8b8d523ec287dea6682ff5eccb6b780e90739f876d262d20b9f938999bb3283a7c05677aa3a33e7c35071822be05fdd4cf4c74d9ec1d9 SHA512 86e3d58bedb8a87210a81bad1450c11dbfbc99623beac78a498c39dcef2628b2a9a6a7b85c036a79ead38e56ce40d3d15beba6072c4fa8cd62011181eacef97f -EBUILD gromacs-2020.2.ebuild 9844 BLAKE2B 9568558d0558311ed7a8b8d523ec287dea6682ff5eccb6b780e90739f876d262d20b9f938999bb3283a7c05677aa3a33e7c35071822be05fdd4cf4c74d9ec1d9 SHA512 86e3d58bedb8a87210a81bad1450c11dbfbc99623beac78a498c39dcef2628b2a9a6a7b85c036a79ead38e56ce40d3d15beba6072c4fa8cd62011181eacef97f -EBUILD gromacs-2020.3.ebuild 9844 BLAKE2B 9568558d0558311ed7a8b8d523ec287dea6682ff5eccb6b780e90739f876d262d20b9f938999bb3283a7c05677aa3a33e7c35071822be05fdd4cf4c74d9ec1d9 SHA512 86e3d58bedb8a87210a81bad1450c11dbfbc99623beac78a498c39dcef2628b2a9a6a7b85c036a79ead38e56ce40d3d15beba6072c4fa8cd62011181eacef97f -EBUILD gromacs-2020.9999.ebuild 9759 BLAKE2B bf1d5b859c466f05b4909113c90faaed916512809ec9563c474461906d49261baeca9b8f7e5bdf85a3fffd32b1b84b4ec47d4523105bba3ed32ce73491d6e7d1 SHA512 cac942e6effce1c0c7ff99ac56c88d9422a89b1b275d3555c5a15a00640c253bd3a98301b9509daf14b3e4d3f1577a8fe6647aab10bf645645ccf35b57470208 -EBUILD gromacs-9999.ebuild 9755 BLAKE2B ee04718fea528c500f797f0ee1ebfb2307772ff5ab4cfc3293f3bf6f93a25ee6155c0b888a4d25371c6a9c4fb022d9e79da9a9df85d7fc82a97442755314ff28 SHA512 5338d8d45908e0b618c21908162e16fff4fba74d671a756229f1f05bce9fd578e923d6289609344cd4a28a78995e2609908de0598cc5d60d45a029ac97b7bba4 -MISC metadata.xml 1192 BLAKE2B 560c1c792102747fc16c22d475114480b9897263405da05946721dae5b781c599a02e1401adfa4d929bfb41b4d52791376438aa37d33de18beabc9edbeb779fa SHA512 136c49bfaca76e714e811077c7f7d214a5984c7b6c891c79ad4a754c304752e17450c9aee100dafce04d7bf3893a53224ef9b54504a278654d59fae9acdd0f77 +DIST regressiontests-2020.4.tar.gz 48542144 BLAKE2B 1dcde67525d40ababa74d9e8ba2dd3fdef1de7d1018491e102edd71d3a622925f213b5a0812e5448882b4cb5fb578317e8e5029bdc4bd53008aa8441a3d9dea1 SHA512 7c71f36a1cef22562f14dcd233e90ad2fe370ae1a7d3b5268727259b374e12d4754253735ac8745d3738bdbc1cc2067780fda5e393be2ff264f632fe4e0c1978 +DIST regressiontests-2021-beta2.tar.gz 48513581 BLAKE2B d9c98739f02b4ea06928197065bacd5785ea68a974f7affc2f08b5552d533bc7fee8398b67bb0d23d209394f2bffc877733f82d3725a287332509e3e73be6c0a SHA512 4db44e186d16e41f6186d0be50d90205f207c29ee7b28f24b49e32fd8c5de72857bf3dd38a996514ea88d5658652a11599934575842a1e46e6e11d00f64e6bfd +EBUILD gromacs-2018.8.ebuild 6959 BLAKE2B 21224b7c0833bfde7324c22e18f1aab2463c6d2ddf0c7e4a38a6aa0e7280f84fe0809fd882d33cae14924c06104fb214d8925c238b7a3ae6c76f2b7bb96b6528 SHA512 dfe3e7265d4fd8cb9a16c324778d7b9b03e785674573706efda516a9257a341da107f36f8203e5ac1effed5d5783e42a19c203b72cf6f13bfd8f993545114b9c +EBUILD gromacs-2019.5-r1.ebuild 7280 BLAKE2B e9e7e72bb57315aee7e3a99b5fe7a0c00cd88b19975040c328727053c69584a1c0c4dd31b47a9ca08ae801ba093c4390a56a08191f20476d0b9dc1d0f4999141 SHA512 51687a58b68e2c74ee5ce518e9b97188fb57d7927e9bcf8debc640f04cce0b708d40d2c16e60431bf5ba532c5d9d5fd89ca31900856486319ad268c39d90a03b +EBUILD gromacs-2019.6.ebuild 7280 BLAKE2B e9e7e72bb57315aee7e3a99b5fe7a0c00cd88b19975040c328727053c69584a1c0c4dd31b47a9ca08ae801ba093c4390a56a08191f20476d0b9dc1d0f4999141 SHA512 51687a58b68e2c74ee5ce518e9b97188fb57d7927e9bcf8debc640f04cce0b708d40d2c16e60431bf5ba532c5d9d5fd89ca31900856486319ad268c39d90a03b +EBUILD gromacs-2020.4.ebuild 9817 BLAKE2B 84edf30737044149b04e322d7e890fbc9c97b3b84df0c5d3ddc5616db464b4fc2d6a261d7b04c465cccb63637779a80029b0419c1355c75a46e2d9dd633317e0 SHA512 0e91d845c92a0aa256d4c05cc694cdf2c0c1b7c67bc83e60364b0b2e1bede91e75af459479e6653ab061f6a9159a75894febbbe11bda092ba6a2b0d2bb43e166 +EBUILD gromacs-2020.9999.ebuild 9820 BLAKE2B f06b0c8a379587cd873bce5b567a0e2f76f4d2300db3f18def76a56e611ed804ec3c6c6359e98e248252432fc815ce5d512df45e98bf7525a826ba6922495385 SHA512 80420cd8a6233af54f041b0bbdd5ba947b68729b029d3334cee4baa793ae3a48c475f2d93a417f700b8320b9d076bac5ebdbb1acc664789869df5aa68f72d775 +EBUILD gromacs-2021.9999.ebuild 9993 BLAKE2B bef54d362417bb28f5eabf492c451a1b6b8909e899a0c7dee36caf1a3fc0f4b5f4a66a18651c850905e493734df9ac3da2339b891b22f05f251e3d98dda79b46 SHA512 7d86c27e61e2b7eb10dbceeb224e7ccf6f5b52f3ed372ddff7af8a68c2b9ef8f6db31846113f7ea1dc277ca2d1e00fd58c02d6f843bbebb12c6306cc3d57e4ab +EBUILD gromacs-2021_beta2.ebuild 9993 BLAKE2B bef54d362417bb28f5eabf492c451a1b6b8909e899a0c7dee36caf1a3fc0f4b5f4a66a18651c850905e493734df9ac3da2339b891b22f05f251e3d98dda79b46 SHA512 7d86c27e61e2b7eb10dbceeb224e7ccf6f5b52f3ed372ddff7af8a68c2b9ef8f6db31846113f7ea1dc277ca2d1e00fd58c02d6f843bbebb12c6306cc3d57e4ab +EBUILD gromacs-9999.ebuild 9993 BLAKE2B bef54d362417bb28f5eabf492c451a1b6b8909e899a0c7dee36caf1a3fc0f4b5f4a66a18651c850905e493734df9ac3da2339b891b22f05f251e3d98dda79b46 SHA512 7d86c27e61e2b7eb10dbceeb224e7ccf6f5b52f3ed372ddff7af8a68c2b9ef8f6db31846113f7ea1dc277ca2d1e00fd58c02d6f843bbebb12c6306cc3d57e4ab +MISC metadata.xml 1173 BLAKE2B 768befbbd08adbd39f92bb715798a7ff8d0559bb3dfc3bf58c282ae687d4946f06b32c5a75544dcc33b83e5a874538712021c8ecbee5a989a6f045d752ab359b SHA512 24363e3136b7c81288798ac01f779cf9c06c32482c0b5acd6d1c5f2a66733ddfdf35de661cedb6a23e1a5de08c012b79e6d2903172aee139a675897e5c72e7d3 diff --git a/sci-chemistry/gromacs/gromacs-2018.8.ebuild b/sci-chemistry/gromacs/gromacs-2018.8.ebuild index f124a0eac166..7d248a91ad62 100644 --- a/sci-chemistry/gromacs/gromacs-2018.8.ebuild +++ b/sci-chemistry/gromacs/gromacs-2018.8.ebuild @@ -7,9 +7,10 @@ CMAKE_MAKEFILE_GENERATOR="ninja" inherit bash-completion-r1 cmake cuda eutils multilib readme.gentoo-r1 toolchain-funcs xdg-utils -SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz - doc? ( ftp://ftp.gromacs.org/pub/manual/manual-${PV/_/-}.pdf ) - test? ( http://gerrit.gromacs.org/download/regressiontests-${PV/_/-}.tar.gz )" +SRC_URI=" + http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz + doc? ( http://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) + test? ( https://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" KEYWORDS="amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos" ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2" diff --git a/sci-chemistry/gromacs/gromacs-2019.5-r1.ebuild b/sci-chemistry/gromacs/gromacs-2019.5-r1.ebuild index 7ea93b91af9f..d534eb5dfcf3 100644 --- a/sci-chemistry/gromacs/gromacs-2019.5-r1.ebuild +++ b/sci-chemistry/gromacs/gromacs-2019.5-r1.ebuild @@ -7,9 +7,10 @@ CMAKE_MAKEFILE_GENERATOR="ninja" inherit bash-completion-r1 cmake cuda eutils multilib readme.gentoo-r1 toolchain-funcs xdg-utils -SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz - doc? ( ftp://ftp.gromacs.org/pub/manual/manual-${PV/_/-}.pdf ) - test? ( http://gerrit.gromacs.org/download/regressiontests-${PV/_/-}.tar.gz )" +SRC_URI=" + http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz + doc? ( http://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 ~x86-macos" ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2" diff --git a/sci-chemistry/gromacs/gromacs-2019.6.ebuild b/sci-chemistry/gromacs/gromacs-2019.6.ebuild index 85004d2644a2..d534eb5dfcf3 100644 --- a/sci-chemistry/gromacs/gromacs-2019.6.ebuild +++ b/sci-chemistry/gromacs/gromacs-2019.6.ebuild @@ -7,10 +7,11 @@ CMAKE_MAKEFILE_GENERATOR="ninja" inherit bash-completion-r1 cmake cuda eutils multilib readme.gentoo-r1 toolchain-funcs xdg-utils -SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz - doc? ( ftp://ftp.gromacs.org/pub/manual/manual-${PV/_/-}.pdf ) - test? ( http://gerrit.gromacs.org/download/regressiontests-${PV/_/-}.tar.gz )" -KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos" +SRC_URI=" + http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz + doc? ( http://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) + test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" +KEYWORDS="amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos" ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2" diff --git a/sci-chemistry/gromacs/gromacs-2020.1-r1.ebuild b/sci-chemistry/gromacs/gromacs-2020.4.ebuild index ba456196edd8..acff64fd6d86 100644 --- a/sci-chemistry/gromacs/gromacs-2020.1-r1.ebuild +++ b/sci-chemistry/gromacs/gromacs-2020.4.ebuild @@ -5,23 +5,24 @@ EAPI=7 CMAKE_MAKEFILE_GENERATOR="ninja" -PYTHON_COMPAT=( python3_{6,7,8} ) +PYTHON_COMPAT=( python3_{6,7,8,9} ) DISTUTILS_SINGLE_IMPL=1 inherit bash-completion-r1 cmake cuda distutils-r1 eutils flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils if [[ $PV = *9999* ]]; then - EGIT_REPO_URI="git://git.gromacs.org/gromacs.git - https://gerrit.gromacs.org/gromacs.git + EGIT_REPO_URI=" + https://gitlab.com/gromacs/gromacs.git https://github.com/gromacs/gromacs.git - https://repo.or.cz/r/gromacs.git" + git://git.gromacs.org/gromacs.git" [[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}" inherit git-r3 else - SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz - test? ( http://gerrit.gromacs.org/download/regressiontests-${PV/_/-}.tar.gz )" - KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos" + SRC_URI=" + http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz + test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" + KEYWORDS="amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-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" diff --git a/sci-chemistry/gromacs/gromacs-2020.9999.ebuild b/sci-chemistry/gromacs/gromacs-2020.9999.ebuild index 92600477ee91..99d60e61ff70 100644 --- a/sci-chemistry/gromacs/gromacs-2020.9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-2020.9999.ebuild @@ -5,22 +5,23 @@ EAPI=7 CMAKE_MAKEFILE_GENERATOR="ninja" -PYTHON_COMPAT=( python3_{6,7} ) +PYTHON_COMPAT=( python3_{6,7,8,9} ) DISTUTILS_SINGLE_IMPL=1 -inherit bash-completion-r1 cmake cuda distutils-r1 eutils multilib readme.gentoo-r1 toolchain-funcs xdg-utils +inherit bash-completion-r1 cmake cuda distutils-r1 eutils flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils if [[ $PV = *9999* ]]; then - EGIT_REPO_URI="git://git.gromacs.org/gromacs.git - https://gerrit.gromacs.org/gromacs.git + EGIT_REPO_URI=" + https://gitlab.com/gromacs/gromacs.git https://github.com/gromacs/gromacs.git - https://repo.or.cz/r/gromacs.git" + git://git.gromacs.org/gromacs.git" [[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}" inherit git-r3 else - SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz - test? ( http://gerrit.gromacs.org/download/regressiontests-${PV/_/-}.tar.gz )" + SRC_URI=" + http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz + test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos" fi @@ -34,7 +35,7 @@ HOMEPAGE="http://www.gromacs.org/" # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" SLOT="0/${PV}" -IUSE="X blas cuda +doc -double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" +IUSE="X blas cuda +custom-cflags +doc -double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" CDEPEND=" X? ( @@ -159,13 +160,17 @@ src_prepare() { src_configure() { local mycmakeargs_pre=( ) extra fft_opts=( ) - #go from slowest to fastest acceleration - local acce="None" - use cpu_flags_x86_sse2 && acce="SSE2" - use cpu_flags_x86_sse4_1 && acce="SSE4.1" - use cpu_flags_x86_fma4 && acce="AVX_128_FMA" - use cpu_flags_x86_avx && acce="AVX_256" - use cpu_flags_x86_avx2 && acce="AVX2_256" + if use custom-cflags; then + #go from slowest to fastest acceleration + local acce="None" + use cpu_flags_x86_sse2 && acce="SSE2" + use cpu_flags_x86_sse4_1 && acce="SSE4.1" + use cpu_flags_x86_fma4 && acce="AVX_128_FMA" + use cpu_flags_x86_avx && acce="AVX_256" + use cpu_flags_x86_avx2 && acce="AVX2_256" + else + strip-flags + fi #to create man pages, build tree binaries are executed (bug #398437) [[ ${CHOST} = *-darwin* ]] && \ @@ -320,7 +325,7 @@ src_install() { for x in "${ED}"/usr/bin/gmx-completion-*.bash ; do local n=${x##*/gmx-completion-} n="${n%.bash}" - cat "${ED}"/usr/bin/gmx-completion-gmx.bash "$x" > "${T}/${n}" || die + cat "${ED}"/usr/bin/gmx-completion.bash "$x" > "${T}/${n}" || die newbashcomp "${T}"/"${n}" "${n}" done rm "${ED}"/usr/bin/gmx-completion*.bash || die diff --git a/sci-chemistry/gromacs/gromacs-2020.2.ebuild b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild index ba456196edd8..c4951b414c97 100644 --- a/sci-chemistry/gromacs/gromacs-2020.2.ebuild +++ b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild @@ -5,26 +5,27 @@ EAPI=7 CMAKE_MAKEFILE_GENERATOR="ninja" -PYTHON_COMPAT=( python3_{6,7,8} ) +PYTHON_COMPAT=( python3_{6,7,8,9} ) DISTUTILS_SINGLE_IMPL=1 inherit bash-completion-r1 cmake cuda distutils-r1 eutils flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils if [[ $PV = *9999* ]]; then - EGIT_REPO_URI="git://git.gromacs.org/gromacs.git - https://gerrit.gromacs.org/gromacs.git + EGIT_REPO_URI=" + https://gitlab.com/gromacs/gromacs.git https://github.com/gromacs/gromacs.git - https://repo.or.cz/r/gromacs.git" + git://git.gromacs.org/gromacs.git" [[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}" inherit git-r3 else - SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz - test? ( http://gerrit.gromacs.org/download/regressiontests-${PV/_/-}.tar.gz )" + SRC_URI=" + http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz + test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-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" +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" DESCRIPTION="The ultimate molecular dynamics simulation package" HOMEPAGE="http://www.gromacs.org/" @@ -162,11 +163,18 @@ src_configure() { if use custom-cflags; then #go from slowest to fastest acceleration local acce="None" + if (use amd64 || use x86); then use cpu_flags_x86_sse2 && acce="SSE2" use cpu_flags_x86_sse4_1 && acce="SSE4.1" use cpu_flags_x86_fma4 && acce="AVX_128_FMA" use cpu_flags_x86_avx && acce="AVX_256" use cpu_flags_x86_avx2 && acce="AVX2_256" + use cpu_flags_x86_avx512f && acce="AVX_512" + elif (use arm); then + use cpu_flags_arm_neon && acce="ARM_NEON" + elif (use arm64); then + use cpu_flags_arm_neon && acce="ARM_NEON_ASIMD" + fi else strip-flags fi @@ -226,24 +234,21 @@ src_configure() { [[ ${x} = "double" ]] && suffix="_d" local p [[ ${x} = "double" ]] && p="-DGMX_DOUBLE=ON" || p="-DGMX_DOUBLE=OFF" - local cuda=( "-DGMX_GPU=OFF" ) - [[ ${x} = "float" ]] && use cuda && \ - cuda=( "-DGMX_GPU=ON" ) - local opencl=( "-DGMX_USE_OPENCL=OFF" ) - use opencl && opencl=( "-DGMX_USE_OPENCL=ON" ) cuda=( "-DGMX_GPU=ON" ) + local gpu=( "-DGMX_GPU=OFF" ) + [[ ${x} = "float" ]] && use cuda && gpu=( "-DGMX_GPU=CUDA" ) + use opencl && gpu=( "-DGMX_GPU=OPENCL" ) mycmakeargs=( ${mycmakeargs_pre[@]} ${p} -DGMX_MPI=OFF -DGMX_THREAD_MPI=$(usex threads) -DGMXAPI=$(usex gmxapi) -DGMX_INSTALL_LEGACY_API=$(usex gmxapi-legacy) - "${opencl[@]}" - "${cuda[@]}" + "${gpu[@]}" "$(use test && echo -DREGRESSIONTEST_PATH="${WORKDIR}/${P}_${x}/tests")" -DGMX_BINARY_SUFFIX="${suffix}" -DGMX_LIBS_SUFFIX="${suffix}" -DGMX_PYTHON_PACKAGE=$(usex python) - ) + ) BUILD_DIR="${WORKDIR}/${P}_${x}" cmake_src_configure [[ ${CHOST} != *-darwin* ]] || \ sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}/gentoo_rules.cmake" || die diff --git a/sci-chemistry/gromacs/gromacs-2020.3.ebuild b/sci-chemistry/gromacs/gromacs-2021_beta2.ebuild index ba456196edd8..c4951b414c97 100644 --- a/sci-chemistry/gromacs/gromacs-2020.3.ebuild +++ b/sci-chemistry/gromacs/gromacs-2021_beta2.ebuild @@ -5,26 +5,27 @@ EAPI=7 CMAKE_MAKEFILE_GENERATOR="ninja" -PYTHON_COMPAT=( python3_{6,7,8} ) +PYTHON_COMPAT=( python3_{6,7,8,9} ) DISTUTILS_SINGLE_IMPL=1 inherit bash-completion-r1 cmake cuda distutils-r1 eutils flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils if [[ $PV = *9999* ]]; then - EGIT_REPO_URI="git://git.gromacs.org/gromacs.git - https://gerrit.gromacs.org/gromacs.git + EGIT_REPO_URI=" + https://gitlab.com/gromacs/gromacs.git https://github.com/gromacs/gromacs.git - https://repo.or.cz/r/gromacs.git" + git://git.gromacs.org/gromacs.git" [[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}" inherit git-r3 else - SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz - test? ( http://gerrit.gromacs.org/download/regressiontests-${PV/_/-}.tar.gz )" + SRC_URI=" + http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz + test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-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" +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" DESCRIPTION="The ultimate molecular dynamics simulation package" HOMEPAGE="http://www.gromacs.org/" @@ -162,11 +163,18 @@ src_configure() { if use custom-cflags; then #go from slowest to fastest acceleration local acce="None" + if (use amd64 || use x86); then use cpu_flags_x86_sse2 && acce="SSE2" use cpu_flags_x86_sse4_1 && acce="SSE4.1" use cpu_flags_x86_fma4 && acce="AVX_128_FMA" use cpu_flags_x86_avx && acce="AVX_256" use cpu_flags_x86_avx2 && acce="AVX2_256" + use cpu_flags_x86_avx512f && acce="AVX_512" + elif (use arm); then + use cpu_flags_arm_neon && acce="ARM_NEON" + elif (use arm64); then + use cpu_flags_arm_neon && acce="ARM_NEON_ASIMD" + fi else strip-flags fi @@ -226,24 +234,21 @@ src_configure() { [[ ${x} = "double" ]] && suffix="_d" local p [[ ${x} = "double" ]] && p="-DGMX_DOUBLE=ON" || p="-DGMX_DOUBLE=OFF" - local cuda=( "-DGMX_GPU=OFF" ) - [[ ${x} = "float" ]] && use cuda && \ - cuda=( "-DGMX_GPU=ON" ) - local opencl=( "-DGMX_USE_OPENCL=OFF" ) - use opencl && opencl=( "-DGMX_USE_OPENCL=ON" ) cuda=( "-DGMX_GPU=ON" ) + local gpu=( "-DGMX_GPU=OFF" ) + [[ ${x} = "float" ]] && use cuda && gpu=( "-DGMX_GPU=CUDA" ) + use opencl && gpu=( "-DGMX_GPU=OPENCL" ) mycmakeargs=( ${mycmakeargs_pre[@]} ${p} -DGMX_MPI=OFF -DGMX_THREAD_MPI=$(usex threads) -DGMXAPI=$(usex gmxapi) -DGMX_INSTALL_LEGACY_API=$(usex gmxapi-legacy) - "${opencl[@]}" - "${cuda[@]}" + "${gpu[@]}" "$(use test && echo -DREGRESSIONTEST_PATH="${WORKDIR}/${P}_${x}/tests")" -DGMX_BINARY_SUFFIX="${suffix}" -DGMX_LIBS_SUFFIX="${suffix}" -DGMX_PYTHON_PACKAGE=$(usex python) - ) + ) BUILD_DIR="${WORKDIR}/${P}_${x}" cmake_src_configure [[ ${CHOST} != *-darwin* ]] || \ sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}/gentoo_rules.cmake" || die diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild index 203a0f716f57..c4951b414c97 100644 --- a/sci-chemistry/gromacs/gromacs-9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-9999.ebuild @@ -5,26 +5,27 @@ EAPI=7 CMAKE_MAKEFILE_GENERATOR="ninja" -PYTHON_COMPAT=( python3_{6,7} ) +PYTHON_COMPAT=( python3_{6,7,8,9} ) DISTUTILS_SINGLE_IMPL=1 -inherit bash-completion-r1 cmake cuda distutils-r1 eutils multilib readme.gentoo-r1 toolchain-funcs xdg-utils +inherit bash-completion-r1 cmake cuda distutils-r1 eutils flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils if [[ $PV = *9999* ]]; then - EGIT_REPO_URI="git://git.gromacs.org/gromacs.git - https://gerrit.gromacs.org/gromacs.git + EGIT_REPO_URI=" + https://gitlab.com/gromacs/gromacs.git https://github.com/gromacs/gromacs.git - https://repo.or.cz/r/gromacs.git" + git://git.gromacs.org/gromacs.git" [[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}" inherit git-r3 else - SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz - test? ( http://gerrit.gromacs.org/download/regressiontests-${PV/_/-}.tar.gz )" + SRC_URI=" + http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz + test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos" fi -ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2" +ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon" DESCRIPTION="The ultimate molecular dynamics simulation package" HOMEPAGE="http://www.gromacs.org/" @@ -34,7 +35,7 @@ HOMEPAGE="http://www.gromacs.org/" # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" SLOT="0/${PV}" -IUSE="X blas cuda +doc -double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" +IUSE="X blas cuda +custom-cflags +doc -double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" CDEPEND=" X? ( @@ -159,13 +160,24 @@ src_prepare() { src_configure() { local mycmakeargs_pre=( ) extra fft_opts=( ) - #go from slowest to fastest acceleration - local acce="None" - use cpu_flags_x86_sse2 && acce="SSE2" - use cpu_flags_x86_sse4_1 && acce="SSE4.1" - use cpu_flags_x86_fma4 && acce="AVX_128_FMA" - use cpu_flags_x86_avx && acce="AVX_256" - use cpu_flags_x86_avx2 && acce="AVX2_256" + if use custom-cflags; then + #go from slowest to fastest acceleration + local acce="None" + if (use amd64 || use x86); then + use cpu_flags_x86_sse2 && acce="SSE2" + use cpu_flags_x86_sse4_1 && acce="SSE4.1" + use cpu_flags_x86_fma4 && acce="AVX_128_FMA" + use cpu_flags_x86_avx && acce="AVX_256" + use cpu_flags_x86_avx2 && acce="AVX2_256" + use cpu_flags_x86_avx512f && acce="AVX_512" + elif (use arm); then + use cpu_flags_arm_neon && acce="ARM_NEON" + elif (use arm64); then + use cpu_flags_arm_neon && acce="ARM_NEON_ASIMD" + fi + else + strip-flags + fi #to create man pages, build tree binaries are executed (bug #398437) [[ ${CHOST} = *-darwin* ]] && \ @@ -222,24 +234,21 @@ src_configure() { [[ ${x} = "double" ]] && suffix="_d" local p [[ ${x} = "double" ]] && p="-DGMX_DOUBLE=ON" || p="-DGMX_DOUBLE=OFF" - local cuda=( "-DGMX_GPU=OFF" ) - [[ ${x} = "float" ]] && use cuda && \ - cuda=( "-DGMX_GPU=ON" ) - local opencl=( "-DGMX_USE_OPENCL=OFF" ) - use opencl && opencl=( "-DGMX_USE_OPENCL=ON" ) cuda=( "-DGMX_GPU=ON" ) + local gpu=( "-DGMX_GPU=OFF" ) + [[ ${x} = "float" ]] && use cuda && gpu=( "-DGMX_GPU=CUDA" ) + use opencl && gpu=( "-DGMX_GPU=OPENCL" ) mycmakeargs=( ${mycmakeargs_pre[@]} ${p} -DGMX_MPI=OFF -DGMX_THREAD_MPI=$(usex threads) -DGMXAPI=$(usex gmxapi) -DGMX_INSTALL_LEGACY_API=$(usex gmxapi-legacy) - "${opencl[@]}" - "${cuda[@]}" + "${gpu[@]}" "$(use test && echo -DREGRESSIONTEST_PATH="${WORKDIR}/${P}_${x}/tests")" -DGMX_BINARY_SUFFIX="${suffix}" -DGMX_LIBS_SUFFIX="${suffix}" -DGMX_PYTHON_PACKAGE=$(usex python) - ) + ) BUILD_DIR="${WORKDIR}/${P}_${x}" cmake_src_configure [[ ${CHOST} != *-darwin* ]] || \ sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}/gentoo_rules.cmake" || die diff --git a/sci-chemistry/gromacs/metadata.xml b/sci-chemistry/gromacs/metadata.xml index c31594084c8f..23a4ee60ef76 100644 --- a/sci-chemistry/gromacs/metadata.xml +++ b/sci-chemistry/gromacs/metadata.xml @@ -1,6 +1,7 @@ <?xml version="1.0" encoding="UTF-8"?> <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> <pkgmetadata> + <stabilize-allarches/> <maintainer type="person"> <email>alexxy@gentoo.org</email> <name>Alexey Shvetsov</name> @@ -19,7 +20,6 @@ <flag name="opencl">Enable opencl non-bonded kernels</flag> <flag name="single-precision">Single precision version of gromacs (default)</flag> <flag name="tng">Enable new trajectory format - tng</flag> - <!-- acceleration optimization flags --> <flag name="mkl">Use <pkg>sci-libs/mkl</pkg> for fft, blas, lapack routines</flag> <flag name="offensive">Enable gromacs partly offensive quotes</flag> </use> |