From 53cba99042fa967e2a93da9f8db806fe2d035543 Mon Sep 17 00:00:00 2001 From: V3n3RiX Date: Mon, 17 Feb 2020 01:16:38 +0000 Subject: gentoo resync : 17.02.2020 --- sci-physics/lammps/Manifest | 45 +---- sci-physics/lammps/lammps-20150210.ebuild | 205 --------------------- sci-physics/lammps/lammps-20150515-r1.ebuild | 266 --------------------------- sci-physics/lammps/lammps-20150515.ebuild | 266 --------------------------- sci-physics/lammps/lammps-20150810.ebuild | 266 --------------------------- sci-physics/lammps/lammps-20151106.ebuild | 212 --------------------- sci-physics/lammps/lammps-20151120.ebuild | 212 --------------------- sci-physics/lammps/lammps-20151207.ebuild | 216 ---------------------- sci-physics/lammps/lammps-20151208.ebuild | 216 ---------------------- sci-physics/lammps/lammps-20151209.ebuild | 216 ---------------------- sci-physics/lammps/lammps-20151211.ebuild | 216 ---------------------- sci-physics/lammps/lammps-20160115.ebuild | 217 ---------------------- sci-physics/lammps/lammps-20160122.ebuild | 217 ---------------------- sci-physics/lammps/lammps-20160216.ebuild | 217 ---------------------- sci-physics/lammps/lammps-20160301.ebuild | 217 ---------------------- sci-physics/lammps/lammps-20160310.ebuild | 217 ---------------------- sci-physics/lammps/lammps-20160314.ebuild | 217 ---------------------- sci-physics/lammps/lammps-20160321.ebuild | 217 ---------------------- sci-physics/lammps/lammps-20160407.ebuild | 218 ---------------------- sci-physics/lammps/lammps-20160730.ebuild | 220 ---------------------- sci-physics/lammps/lammps-20170109.ebuild | 220 ---------------------- sci-physics/lammps/lammps-20170706.ebuild | 219 ---------------------- sci-physics/lammps/lammps-20170901-r1.ebuild | 132 ------------- sci-physics/lammps/lammps-20170901.ebuild | 130 ------------- sci-physics/lammps/lammps-20190807-r1.ebuild | 131 +++++++++++++ 25 files changed, 132 insertions(+), 4993 deletions(-) delete mode 100644 sci-physics/lammps/lammps-20150210.ebuild delete mode 100644 sci-physics/lammps/lammps-20150515-r1.ebuild delete mode 100644 sci-physics/lammps/lammps-20150515.ebuild delete mode 100644 sci-physics/lammps/lammps-20150810.ebuild delete mode 100644 sci-physics/lammps/lammps-20151106.ebuild delete mode 100644 sci-physics/lammps/lammps-20151120.ebuild delete mode 100644 sci-physics/lammps/lammps-20151207.ebuild delete mode 100644 sci-physics/lammps/lammps-20151208.ebuild delete mode 100644 sci-physics/lammps/lammps-20151209.ebuild delete mode 100644 sci-physics/lammps/lammps-20151211.ebuild delete mode 100644 sci-physics/lammps/lammps-20160115.ebuild delete mode 100644 sci-physics/lammps/lammps-20160122.ebuild delete mode 100644 sci-physics/lammps/lammps-20160216.ebuild delete mode 100644 sci-physics/lammps/lammps-20160301.ebuild delete mode 100644 sci-physics/lammps/lammps-20160310.ebuild delete mode 100644 sci-physics/lammps/lammps-20160314.ebuild delete mode 100644 sci-physics/lammps/lammps-20160321.ebuild delete mode 100644 sci-physics/lammps/lammps-20160407.ebuild delete mode 100644 sci-physics/lammps/lammps-20160730.ebuild delete mode 100644 sci-physics/lammps/lammps-20170109.ebuild delete mode 100644 sci-physics/lammps/lammps-20170706.ebuild delete mode 100644 sci-physics/lammps/lammps-20170901-r1.ebuild delete mode 100644 sci-physics/lammps/lammps-20170901.ebuild create mode 100644 sci-physics/lammps/lammps-20190807-r1.ebuild (limited to 'sci-physics/lammps') diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest index dbc93eeacb83..4b37a5e28822 100644 --- a/sci-physics/lammps/Manifest +++ b/sci-physics/lammps/Manifest @@ -5,30 +5,9 @@ AUX lammps-python3-r1.patch 544 BLAKE2B dcde498a0d886f941aefef6818429efe2a9d2532 AUX lammps-python3-r2.patch 459 BLAKE2B 4371e3dd2f0f07f4be0533df1b107eaa74851eeba5362931034f74696bbed221d776414d150c7cc3517d31193c45854c09899ba78cb96c76f864ed90275240ae SHA512 87e12b5089ca6d75e9ec02b773964fbde0170a56876ae990648362757ff110a817d7a968e9496cd6475faec22a8a6c9d71d3367f564b34bba297b8e8eb0940c7 AUX lammps-python3.patch 509 BLAKE2B 1c3f0fec8e6ad27c58e70e32f073a9840fc3564b4f92ca27f4b755e7a2c4400a9cd4e8bdff4f7d6eae2316a842995e8fb0bb2d1b79bb70d320a12e471ab7d14f SHA512 e88b7e036c3ea86c032a7e8dde771073c08ed96c0a3da240a824fd7f424553ef4d5db2ba6c4fcfcb9f0ec4550a073e7370a163165352911ee4f1d64f91094056 AUX python-shebang.patch 393 BLAKE2B 6c0558d2f288d6587724f1b0e7ac38d1c4b29a06f27e27a3d366f960ab18596053f3580d190fbf525eee873ed28118973777988d53a83b46486320903334bf72 SHA512 fd4663ac2ce6949e59509ab03a7eda4471e38350440fe6c64c9fe5321941a5951074578148d0da335292a4e19c6c0b13d3e97c174123eb1d9662bbd63247b5e7 -DIST lammps-10Aug15.tar.gz 87890369 BLAKE2B 7983a1639d04d949dc3215cbe8001ade104adcaa000525ce4606d24479a799edf623d5f08479cea2fae3950a27734cb190cdfa0b77305d620b0e9b67e7e5e480 SHA512 fc395cf7e59de7e71bad64e2500224d33ff0f76bb79530fdcde5ec9879b91c332d1421a25e5d5bb9cc47a55745e760d01b2ac8ad29f9e71c8a90a0ace9212618 -DIST lammps-10Feb15.tar.gz 62912048 BLAKE2B ce2463bb8e2cd19b56e89a7090b39e10b8340ac20e1a9ed4f72d60356d0f1270c0019e7bf4fb7d808e1400e1639b893b2e3b3b173d23f2aa1e2b1da3c80d4c4e SHA512 a7804377a23f03f338bdaf443439dffcdc52293b4c45e6369b340a1107510fed0b8a198e3b5afcff2e04e109985b52ee62e7b28276697bae37ac6f783d1ab9f2 -DIST lammps-10Mar16.tar.gz 88637744 BLAKE2B 4b6c8d349935af734e7153c8a28d6928796a010a809899b24610cc59ffcccbad9f06a2b17dcb1e983b405e692021d0cc1857f04381e1600adf228e3b19d0948f SHA512 b850c9f9826cd7f4db2d922c9ee1bc8302ea5cf92200f56e5aa834850f690ee8e17dca6e431651ccfded34bd79e2b8e50cfb2e7de3bd93359279f06bb8704424 -DIST lammps-11Dec15.tar.gz 82386057 BLAKE2B 7d73052647cafe55c7c4cee257349c594e74c34f429084a96f7dc9e58b1be8009bc90224a71ca880e8cf71ad6ac7159e6664c04f19f6e09e94a8f0ce915897e0 SHA512 dce3c29811ee25b8404774b69d7e9746535bed5c4ae9a1c21aaf6979e411bb4b777ca95a4f788d16f6093785e074dbc5275c2d99b1c1d6a28aa0706069855a77 -DIST lammps-14Mar16.tar.gz 88642225 BLAKE2B 38581c47dcf709e062ef7b7142c44a152c453e385537138371cb31f9dd3cca2a086786940ad9c1967432ae5e4f0652dd5c31ad602f0e30ef71e9db284a6d06ee SHA512 5ba774165ea4957fc3f33c91b96ff7b5e2ab498b6979d7887d5e7dfd464e3c830edffcc341e93fc8dcdb89f3eadd683c0893d4a8d2664ad469aa79ddc39c21b7 -DIST lammps-15Jan16.tar.gz 85956338 BLAKE2B 1fe382bc36ce3fb8352bfce94aaa92b5eab50528ec6236cc217eed09766e6c7a63891c21a12e8f293fd257b328693f15e723e357f813e0e91cc321a5edc2c478 SHA512 7dc2043afba78ec8d61b5880b6123952b42e5076fe7e3c3855186215054bc28710b89fd5b015d495fcfe38d5970efd43f3e6e834e80f39b6305b551d39f5eeab -DIST lammps-15May15.tar.gz 63835027 BLAKE2B 4fbdd71d5dfba78ddb68a07f0b92404d76bd17b4dae79619145bdecc04e7805ae9436f95d16cec19177c1e824b40e1eba960c09abca93930b9e748482f291cee SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 -DIST lammps-16Feb16.tar.gz 87776530 BLAKE2B 440b1be2a132ce30c0480dd8f6dec03396c25c69e9b0985f0530d3dbebdfb8151957028d1e7e3c81bafd9c52bfedfb0adb541161d39bed1c888224d53558c1ac SHA512 f9fdfd4d3b70c864b4dcb7e58315f6fc81e3647a6bc2956d6b3e2760b3edbd8f933a406eb9b32697cabd0d7f8fbb897d873a399c855cb29f3635d6dc797212b8 -DIST lammps-1Mar16.tar.gz 87945422 BLAKE2B e011bb96b41239457ac2c5736bd7ef19164cd566acda56ed7064e728aa5e0f37eeb1a35d87d141a086bfaca8ece0e7a65da802edebc099229da78c9b39d918bc SHA512 25b59f840187053a9f47bc41f5d0b29a69ac507e05528fb3e84c2bb8facd90fff95e99cbd8707c8d087371355a2e1c5af1eb3e4115b788444af5d129e754fe9d -DIST lammps-20Nov15.tar.gz 90227651 BLAKE2B 8c4e6338c146e5fac37cb57f74179d0d66d1f56d3a58651cb2e7b91fdbaf4e890886ca4586fbabac8e223fc558534415ded4aa830060b20c280ccd2cd3e0bfbf SHA512 4bff70e45fb30be10a33b4c6c60b73cceddf8d42588b0630b4802f1e61dea3c237c01c3667585ad210ef2cdb811491b1b8495718a90bb57853c58245e29d1fe4 -DIST lammps-21Mar16.tar.gz 88654277 BLAKE2B c29dcd5b520b3a55dc11b61419d36f58f1aeb1a4bb50f9bc1d748873b2a7d91c6d1270d5e614505c34a0d0c5c59156d742cce1e6561e198e51b34ea8ceb9990a SHA512 27e4a3a0c2c17fb9c85716b499ca2b3de8b0a699891afd32c8409117a0fbe27f1bd84ef16288cc5abda87ee8a7b1059960d8caed5aa339f54290aabeff0fdd4d -DIST lammps-22Jan16.tar.gz 85952234 BLAKE2B 8ee844b595d0c261111fac4edb8e8ed5c936b3e40eb8fa1b1acdf9dec4713c9e1151dab82d1c2a53d2f4e1664b9059f66b98bb8cb261cff094e2ccb03cd27e16 SHA512 3ceeeaf76621bbc11ea25d5fb321b602b34ffb3893898a704b02e5cd428a36b2017006fdc1f7b1c5f957c33f26ca103a2939538ae7937555e0b25b5852cd48f3 -DIST lammps-30Jul16.tar.gz 94454127 BLAKE2B 7a84dcddb0a9f4b3ae6053c56abd1512fe76a50ee15bc003c111c189ee5126391380ddac7624cb9a5bb599d6d6746a4fe3e378cbdcb323266d07c48409dff2a7 SHA512 2ebcf30502810f8d6be107760bef0b9b4591142511ae410e7b44573fe9988bbbba5e8d5bfd16f74a3875bb1c41dbc6216a1c7e8a9b1d316fdf19a901ac4479d5 -DIST lammps-6Jul17.tar.gz 119855769 BLAKE2B 27228319a9d197729e9bc8cf4ed20cbad918978d12f91e8cf6ead342d74abebe1cc89592b1e948e53419bb8a9101e4b3777db11e0d3d0a4def29c0af6031510f SHA512 6351020311e63be126bf74adaf5667fdf232de48e74f269248d565fa0b6038c81bb16d6b5d01a7de0fdcd195aed41e9b4b69c339c6ff6da585babd458a55f04d -DIST lammps-6Nov15.tar.gz 90177074 BLAKE2B d96ccb0331dc3a096491510610feedac319c20f179d6cbcf6db7f520b00f3e1252898d30d0f378dd95f4e247afec3241ac2669f324c09cf6c4d8a3f0c2a277a3 SHA512 91f8e33a00b3605dbb78f622a19886c11ca8ef3f4babe74e8d8f90bb176d5689e75d619155f58e6754a2756d20c05b74389e34f024167cba1841b8aade171daf -DIST lammps-7Apr16.tar.gz 88791123 BLAKE2B adbf9337403251541cb0c87a062f8f1e22e5c076dee5ed752d7928b290038a011bb9a688e51dd7f3e2d1317b89309b58165632c11ccdf052e42bc9b2e3a652a3 SHA512 1045f0337b37a19760718a2b3b48d31608248069a8fb2dc43daf555e44e720db770ff53e2a2db09c3e1f2703bb98894516229382c810ce45cca3647f353a21cd -DIST lammps-7Dec15.tar.gz 82168656 BLAKE2B c32a2f543ba5c9eaa96486f169228b4748d08b74ca45c17617769c26ccbe05aeff271a13c348198f433c7654538969e7ed74018057ca12a54e95957699ba1655 SHA512 13078e7614402efc310a178506134409b40fb2768c4d7ee1cfa6992b247ef25169288ec99d4314b1a98125037d7c1c954bd114abc6ac41c58f60506358d150e2 -DIST lammps-8Dec15.tar.gz 90700099 BLAKE2B 04dcc39e9fb47e4033ba41eee7455d503c9c9616a11a2d8881948a2708bdde6c502ef1b7ab912c027c390bb40b927714de3fba91afdced0f26dfc0fa86775ed3 SHA512 0382683a363975bd27cc1722932cd5b8eda9933bc9c676af135d7e4d784acd93cf60b2b47a19dbb9e4a05e5cf2fbf6ccc2c2a914c39e92e87009e23ead2eb497 -DIST lammps-9Dec15.tar.gz 82374079 BLAKE2B 8b5054b59162b98bf98980a8ece344af733ded5befe67404f03ed48c8191dbf640992b978f8fabcfb6936c876bf0e756aee68b4a50542dfc9c28f5d448846717 SHA512 a35ef5b3ee99162b96ce1a6d6cc3b0dc18bab7f693b824fc7ad52a7477234ed45c3081c399155725f1ebc3bd1bed312176f08d3fc807e7099d4b41b8f75fd11c -DIST lammps-9Jan17.tar.gz 109694893 BLAKE2B dc3af18d4a7db43d22bc4d2ed79366f7f1b73cd5f8951d289ce6ad0a572b14fd8f1bc946382afe9fc60bc46354beb374caf09d195419235e077bf9386259f194 SHA512 ea7c61bc9607ff0e4c0af5c1a668d400841dfc11c6d6aacc6131a48a5a0d11cb6857303626b583d5119e5257b5b338853c5afafcc3870bb30d5743ff5648348c DIST lammps-patch_12Dec2018.tar.gz 114619148 BLAKE2B 089e23681e46868d09991ca6525850838100aa74ce8796f3af602c76b74fd55618c91610193cfc22c1201e5417f11998f924642961b62824c0271e208f87b286 SHA512 4794fc9bed7974ec33d54b2843f17b29c61a63f91f76c75bec7f00f6f174901f703130564977f8cf7fa9274e7febe096878dc0fa84d65469a5eb8f9b17b58a5e DIST lammps-patch_16Mar2018.tar.gz 91908414 BLAKE2B 0d2363ba507765d439988be9f17390889539ecf22132145f5f5f5411c6c3bf097b278b24b005374e4b176efcfbd01edb48b55076bfa41403718ad14d3905e062 SHA512 2847f9ffa368b966cba4792ebe86ea38dfc1e147647e2b738753121a09689901cea7197d3d95fa69cd065cd1d30aa37cbeffcb78b62ec85d88cd9f3ab25e25c2 DIST lammps-patch_17Jan2018.tar.gz 91721592 BLAKE2B d606a5fd699f3e7aaa777065532f778e96a5b21b88de3fcce69e79c4931fea233ed1ad68f56120865061623c6e33282b9f23f927a7a9820f8f824a241e5cd823 SHA512 533ada073882e9bfc6431db62c4899005983d9efbbb043bcb50b2b0a7af2b11c411bbcc6523b2ffbd5d46531b24573f4b98a07dc757bacbc2f27bb056d7956ff -DIST lammps-patch_1Sep2017.tar.gz 88751184 BLAKE2B 013ba612c67767c0e11b64f0b726a81c534ceb763ac9eba9a94ef9e02166278c28cb5937162b83f783b80fef6471b0e265e45245cc5594eaa2b27ec2d5f972cf SHA512 01b56484d6e9d03c0cdc2f8100f571d6e0a354b08bda7f22176744f2724e566443514e7d8abb0571d4207709155441644d4c6dbcf17ee2a8dc4f10cb6c3e8ac1 DIST lammps-patch_22Aug2018.tar.gz 108761265 BLAKE2B fc509ccd8f5fda9fea9cf7f54b888df235b5d499a0aa3eee24bba81d35c95355cfc72ebb60f32a4adb879c0ab176659ebe634f9bbaeefd54ffc0d02329054f9f SHA512 bb1c11ef9c287b101b9f3483d6b90e55dc69a048529e5076f6f7d46e54802d0d75efc899865d462f9dd76937089e1080a126c1dc4bbb2648eda91cb38ba142b0 DIST lammps-patch_22Feb2018.tar.gz 91869050 BLAKE2B 09d364b489d4402145b879ca40b290a4e33f39b6e5e4183bcccb09001002cb742917c8792f942a8b64bd992cde5c0f8dcd8b76506048f1392d33d1192aa4551d SHA512 8d4ac0f9cdcf4caa10bfb48129eec21cf31f7ce881b4cbd803c20fb638f7e55a1e645d314e172fe70eab473a4976c7f482e8c059e0c4e82527eb9438437ae146 DIST lammps-patch_5Jun2019.tar.gz 106437193 BLAKE2B ce2a89f58fcdc29fbfc6d5e8769e36402569e93182a19835a0482b228ae9f568c1b56d2fc5eb3dac8e94a1289b430279d88c15284e07b5f62049aaf86cca29d3 SHA512 d72a5de3068a902cd8a825c97cd071331d5e3c16429531809178c43930b363f6549bd6802b552c2667e8882f7f21c90bd815072deb5ac19c8687060c796e58b4 @@ -37,29 +16,6 @@ DIST lammps-patch_8Mar2018.tar.gz 91878683 BLAKE2B a4cf307769b1ac27c9cbe781a70f3 DIST lammps-testing-7869c75cac38cb8a3d2ef7747ea12ec5812f5151.tar.gz 54374284 BLAKE2B a223ef3926540660ce28fd2673667840002f6bfbbd5565deb9fb01b994085eb4d6cd24807fab49117a1b328f151d1511b7aa4d2fcdd443d20927112b83d029f0 SHA512 c996f7109d6467ae8e6a8c187485afb7c55b6dcf2b2e7003a8edd271e7f7dfe275079fbb0d680455628c8fd2eb87640284e8a92ffe095fcb398133be587af57a DIST lammps-testing-827be7af84ca100d394ea1cf6d3bc49f6a8eef92.tar.gz 55706643 BLAKE2B 7f2753759e1048ee9af58f1b210fe42972cc40b6df3ab5495f66bcfd10f4818f6e2c4e27f759d6ca302024531849286c4709a869984bea3d385cb44412d4d668 SHA512 bfffb0501b7b254dfc2cfcd12945b14766c1addf680d1140a78116b97a2a70795244f3a5a439aaf69ae014e35c454a48e028ca8aa65179e5da5039d6f1676e02 DIST lammps-testing-d0394a77fa2b4b2d545a73ea092cf6de7616aac8.tar.gz 55715042 BLAKE2B 326f0357b555c030f667c502fd2c2330aa588c4a1224434ef30637ad8c6be49a5b8ee58cbc525b874f665903cf21494b52403c3a53ec0898a8cf81906c614833 SHA512 4a980578ce584b5b9334b4177f4f9188f00ac50ca916ce63a4d2ef034a4fa218366a8f32cc7dc29dc99e6b01e40cf8c8bbf15566840fe07fc5c6c2e8c55ece93 -EBUILD lammps-20150210.ebuild 4831 BLAKE2B e862ddf3286d197376d70d2ddef7aba08c073c956a37e509ce5d2f61fd2aea72ab2bfc152ea2204db021f97996f77fe2592b4894664b47ddbd50eae80d876e6b SHA512 6ce0071a1ed3dbbb485dc3e5c1119f07617b9df623f13527f20f7a4b549dda4cfae7821dd647aa7350439b92d3dfc325d5e1665a8689143a9118d04660860565 -EBUILD lammps-20150515-r1.ebuild 6707 BLAKE2B 375a4a799a78fe600a93216d121cc8b0d51f47a951849786aff5b79b513e1caed7a158a3dc8bc482a5cf5dc41759c3ef58c43a05043ac255fb91f44415de5beb SHA512 aec834eea20e7b01f65c681fc8ec8ca3a2abd20c5b8e11330c5e1d5d2d4937ab06d82e44ffea3a7d24625c32afb7d1cdb863717112b7a7f8d665c53247a175ac -EBUILD lammps-20150515.ebuild 6702 BLAKE2B b77b70ee9b5107bf9b433dcb8e8e5c7ac63a61d30aadf2dce8ad8588183a4a23f0ca64344e3dc311cea72629805ce00c07450c3afa034f11561f52a72c0e4129 SHA512 ea07038da0dee00e368c369857945d2edad0b818dfb83d4f44870a2706a2e494303e7b035e7e7e4e02430d2e935af584a01c1035492033ff989a3dc82cd38e9f -EBUILD lammps-20150810.ebuild 6705 BLAKE2B 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ceec5e0b361fd6916459a6b2208415043d512978a10ad4856f19c8716d591569b795246f01b02c91ae4fe738f8b449c496db27c349df6381528822114907ba6a SHA512 3290c22ea9bcce49d1e621eee6af7e7cbb0300f163693c8d93fa6f9ac9e5e5abf06e6c91b030391ac5dc616729bab7ea6b80b92166163f89c07f5044e8c79159 -EBUILD lammps-20160115.ebuild 6082 BLAKE2B abfcac43487a719d882f53b76338f10d23d6c8c24008212cf71b9d9df04e5939db1480d584d22522fbc80423714e92933b3650ae77ad606348fd97f7c58beb57 SHA512 8087f7ff3e490f010ad87f635514a28f038cc49736691e018dd3b94cf72d3a101bbe93e55f54005b4bff7866eda7c6c40ffd99b022910f159fd0418290fe42ee -EBUILD lammps-20160122.ebuild 6082 BLAKE2B abfcac43487a719d882f53b76338f10d23d6c8c24008212cf71b9d9df04e5939db1480d584d22522fbc80423714e92933b3650ae77ad606348fd97f7c58beb57 SHA512 8087f7ff3e490f010ad87f635514a28f038cc49736691e018dd3b94cf72d3a101bbe93e55f54005b4bff7866eda7c6c40ffd99b022910f159fd0418290fe42ee -EBUILD lammps-20160216.ebuild 6082 BLAKE2B 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6fd9ea63a4dd57d01588f3789c65ef3016bc839c2757f2a9897b0d20eca5b7cd815a93c56edc922ed41893c0c07e1ba21006c768b282e9b2f55c262ff61f6d4e SHA512 58690c7f3f9cd590a09aada6cfbe54a52de7304deaac1de17900ddb1f60357b3f650671cb1775737ace2388fb703f81e3d553e8ca3f2f034a989b91badc3b921 -EBUILD lammps-20160321.ebuild 6082 BLAKE2B 6fd9ea63a4dd57d01588f3789c65ef3016bc839c2757f2a9897b0d20eca5b7cd815a93c56edc922ed41893c0c07e1ba21006c768b282e9b2f55c262ff61f6d4e SHA512 58690c7f3f9cd590a09aada6cfbe54a52de7304deaac1de17900ddb1f60357b3f650671cb1775737ace2388fb703f81e3d553e8ca3f2f034a989b91badc3b921 -EBUILD lammps-20160407.ebuild 6114 BLAKE2B 60f4208a6d09151d384c02833ae9f4860d5fb96c7d552ad65d468f2f90cf110b434b3979c92e2dbcee5d967ac188e0ef8e0b3fea4034ae981692acaa2e05091d SHA512 38d19ea44396f6036c4b4155c1805b3bad1472ff9868565ea98fd70f0eede59478bcde1f6d7e8dd6a0ebaf0e793a140efd23849aeb5189d4b3e998a389e1dbce -EBUILD lammps-20160730.ebuild 6052 BLAKE2B 628ecf1c809781565d0c2c2544ebd79d839a7ebeca9be096ade88cc60b96543d00f0ce52f2a65bf717a9abacadd1f5b29bd5b85c69183a95a9da099cde29fa8d SHA512 00ca7236325e9dc4a375730cfb83243f445fb30105eb72d512cbf421d213f03c3d4d0fa2edbf1174da17a32935bab0a1a4a7bade390d751d003cbaa539645eb4 -EBUILD lammps-20170109.ebuild 6056 BLAKE2B a0681ae27df08479c4a3e23358c2027153e6e60c646d478004c91b5ce8e082a3964453bb30515da083af47ce934fab1416b43565e5eedfe2f4ab8f354ae81460 SHA512 702dc243f967a3bae9a3c0347a812c374403981f976dfe7c3efe89224042dd3ac171b4358985732a273e332903755a9199b1654e68c9a16ea61d76de96984eb6 -EBUILD lammps-20170706.ebuild 6020 BLAKE2B 1afe869a63b78f2940b6725aa938a42384a51f4865ff15c084b043b9fe9cf911879d54b47475528ad698dabaa3d687c5f670ec9d75254e2ab7d42b686aad4e9f SHA512 e10f87bd5d6e74290cd4448629e7156753084d99c0b3ab577dc97a3c81c3473fa8030bba37353265689d6143d080fcb53ccfdc405e8d745bb4e2db95ec0c6ce1 -EBUILD lammps-20170901-r1.ebuild 3057 BLAKE2B 7be21a634644d3202dfe7bb90dfb3a8d1e5f77e7d40aed32eaf519b4fc2bd31538e86b18d2986123c3fa3446a505594963fa61ee28ff7a6737c366f2eeace2f5 SHA512 b91322804f33e06ae7762ca2a52eb901c599b8ae24eec2d2fbbb0b5cb510757d3a77a7adc4d63ad5dd070f5a0d4530de772bda438142b88adc00595b264c24d9 -EBUILD lammps-20170901.ebuild 3025 BLAKE2B f9b765f934a7198d53bdf9a71216d4b49a6fbb06c201917f32ee2e86b03170302f06fc670b8de5aa408c2d6cf1da273a3740677c84ee27677e3cd9038ad8c425 SHA512 c2f48852df86981f4407bd6d58efb1d6cefe65390de03bbf5ef3e6e142627321a4823da1d49f333ee88bce8ec62558c804288cf54f47ae2da0b7fadba2222823 EBUILD lammps-20180117.ebuild 3057 BLAKE2B 7be21a634644d3202dfe7bb90dfb3a8d1e5f77e7d40aed32eaf519b4fc2bd31538e86b18d2986123c3fa3446a505594963fa61ee28ff7a6737c366f2eeace2f5 SHA512 b91322804f33e06ae7762ca2a52eb901c599b8ae24eec2d2fbbb0b5cb510757d3a77a7adc4d63ad5dd070f5a0d4530de772bda438142b88adc00595b264c24d9 EBUILD lammps-20180222.ebuild 3057 BLAKE2B 7be21a634644d3202dfe7bb90dfb3a8d1e5f77e7d40aed32eaf519b4fc2bd31538e86b18d2986123c3fa3446a505594963fa61ee28ff7a6737c366f2eeace2f5 SHA512 b91322804f33e06ae7762ca2a52eb901c599b8ae24eec2d2fbbb0b5cb510757d3a77a7adc4d63ad5dd070f5a0d4530de772bda438142b88adc00595b264c24d9 EBUILD lammps-20180308.ebuild 3057 BLAKE2B 7be21a634644d3202dfe7bb90dfb3a8d1e5f77e7d40aed32eaf519b4fc2bd31538e86b18d2986123c3fa3446a505594963fa61ee28ff7a6737c366f2eeace2f5 SHA512 b91322804f33e06ae7762ca2a52eb901c599b8ae24eec2d2fbbb0b5cb510757d3a77a7adc4d63ad5dd070f5a0d4530de772bda438142b88adc00595b264c24d9 @@ -67,5 +23,6 @@ EBUILD lammps-20180316.ebuild 3055 BLAKE2B bdf29a5d17049b35eadc3a302fac392092380 EBUILD lammps-20180822.ebuild 2842 BLAKE2B 5dba10be26f75f5500ff00b9103bb845adb85b381d6ff347e15ffe6b1e05dfac66a7dfb172d703558eb89aad493ee3e09b82c245e42aeeec3e057c6aea84bfdd SHA512 63d04d70e7a14fc8d1c4d9774b354348603674cd3ccf1ef5587b4fa1bd03d20de38c9410a099494322815f873d4a7c49545cb194dfa886a14271b6b2b4733dfa EBUILD lammps-20181212.ebuild 2983 BLAKE2B 9a1c3616dc7b93c41a934e45f9cbdf642aa96aa36792eee7fd50fd2190a2fe648f4a2bd3c09aa2c70acec3567081557a4f424b2a9cc83182875f302932619798 SHA512 85e427dc75a79474156951352b7f54a44974d4e4d848065af82b529587c3d67952cc84f95ab1769e49a883710f1a8b59cd8619006cd31d430c05260c0f6fc460 EBUILD lammps-20190605.ebuild 2983 BLAKE2B b1b61fea5f10e4161cd141c15ad5d39852469160c2647b88918fb7fc93d93ee085b1ae7df0de95be45e63d6689056a4065f4b1c272fc8dd6a758f2c624441291 SHA512 01510f78fec52d3799fc70397956da697ffe71bd67e49daa4cccfb68f62a371ccedf61257d58c026df0780dec3cf7cf5f180fcb6ebf956ee9234949341cd921e +EBUILD lammps-20190807-r1.ebuild 2981 BLAKE2B 596bbab3fd8f1fc2e9704ff4f8a1820f60315f14f5d6ef3789f73cdc65ffeb2940d65f31dea29b729cbf88a2287791ba05a3b89e6a66bc694f6f47b8958be9d6 SHA512 a0f4c13dc9522fd12b683aedf8b8b4ce4f3cf7a94db166f7958beaede73d43ba021abb0b2cb2155faf101832f101adec741cf6ee9edb84e3a52205bf1de6fee9 EBUILD lammps-20190807.ebuild 2983 BLAKE2B dec7fed84824ca9ee695e25d54abeb6b767cfbf7e8889f0ea5f035817bd6b94cee61b1cf8c75d4ad39497f2b8fc81f2c538ee329ac4aafba6c829291ecd4c245 SHA512 57814b446487f1a9c35ff28549ad70af2c6628e2324048b84544ed10b578294bc870e22e481aeab91c4545d5d74ea45f0768d98f98c623175236b104f3bc41fd MISC metadata.xml 1338 BLAKE2B 553629a0b3221db88a37cd6b0bfa806da9265caf2df038736211351a87ac34af5a98f0e7f3e34246d814a378cd64b1ed82d69f4c26e18c3a7700441f8be6fa2d SHA512 b3556e8444b4cb42d1fa80cc8735e11e07cd2928af67104d4518b874e167d5755840c3585e3ffefa88057f84d711cafe0a60405323b4ad6a9546c19d4a5d94bd diff --git a/sci-physics/lammps/lammps-20150210.ebuild b/sci-physics/lammps/lammps-20150210.ebuild deleted file mode 100644 index 78352de60d51..000000000000 --- a/sci-physics/lammps/lammps-20150210.ebuild +++ /dev/null @@ -1,205 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -inherit eutils flag-o-matic fortran-2 multilib - -convert_month() { - case $1 in - 01) echo Jan - ;; - 02) echo Feb - ;; - 03) echo Mar - ;; - 04) echo Apr - ;; - 05) echo May - ;; - 06) echo Jun - ;; - 07) echo Jul - ;; - 08) echo Aug - ;; - 09) echo Sep - ;; - 10) echo Oct - ;; - 11) echo Nov - ;; - 12) echo Dec - ;; - *) echo unknown - ;; - esac -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="amd64 x86" -IUSE="doc examples gzip lammps-memalign mpi static-libs" - -DEPEND=" - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - sci-libs/voro++ - " -RDEPEND="${DEPEND}" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE=$(tc-getAR) \ - CC=$(usex mpi "mpic++" "$(tc-getCXX)") \ - F90=$(usex mpi "mpif90" "$(tc-getFC)") \ - LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC=$(usex mpi '' "-I../STUBS") \ - MPI_PATH=$(usex mpi '' '-L../STUBS') \ - MPI_LIB=$(usex mpi '' '-lmpi_stubs') \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die -} - -src_compile() { - # Prepare compiler flags. - append-cxxflags -fPIC -I../../src - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src stubs - - # Build packages - emake -C src yes-asphere - emake -C src yes-body - emake -C src yes-class2 - emake -C src yes-colloid - emake -C src yes-dipole - emake -C src yes-fld - #emake -C src yes-gpu - emake -C src yes-granular - # Need OpenKIM external dependency. - #emake -C src yes-kim - # Need Kokkos external dependency. - #emake -C src yes-kokkos - emake -C src yes-kspace - emake -C src yes-manybody - emake -C src yes-mc - lmp_emake -C src yes-meam - lmp_emake -j1 -C lib/meam -f Makefile.gfortran - emake -C src yes-misc - emake -C src yes-molecule - #emake -C src yes-mpiio - emake -C src yes-opt - emake -C src yes-peri - emake -C src yes-poems - lmp_emake -C lib/poems -f Makefile.g++ - emake -C src yes-reax - lmp_emake -j1 -C lib/reax -f Makefile.gfortran - emake -C src yes-replica - emake -C src yes-rigid - emake -C src yes-shock - emake -C src yes-snap - emake -C src yes-srd - emake -C src yes-voronoi - emake -C src yes-xtc - - emake -C src yes-user-eff - emake -C src yes-user-fep - use mpi && emake -C src yes-user-lb - emake -C src yes-user-phonon - emake -C src yes-user-sph - - if use mpi; then - emake -C src yes-user-atc - lmp_emake -C lib/atc -f Makefile.g++ - fi - - if use static-libs; then - # Build static library. - lmp_emake -C src makelib - lmp_emake -C src -f Makefile.lib serial - fi - - # Build shared library. - lmp_emake -C src makeshlib - lmp_emake -C src -f Makefile.shlib serial - - # Compile main executable. - lmp_emake -C src serial - - # Compile tools. - emake -C tools binary2txt chain micelle2d data2xmovie -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20150515-r1.ebuild b/sci-physics/lammps/lammps-20150515-r1.ebuild deleted file mode 100644 index aefd583848e4..000000000000 --- a/sci-physics/lammps/lammps-20150515-r1.ebuild +++ /dev/null @@ -1,266 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - case $1 in - 01) echo Jan - ;; - 02) echo Feb - ;; - 03) echo Mar - ;; - 04) echo Apr - ;; - 05) echo May - ;; - 06) echo Jun - ;; - 07) echo Jul - ;; - 08) echo Aug - ;; - 09) echo Sep - ;; - 10) echo Oct - ;; - 11) echo Nov - ;; - 12) echo Dec - ;; - *) echo unknown - ;; - esac -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -DEPEND=" - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - gzip? ( app-arch/gzip ) - sci-libs/voro++ - python? ( ${PYTHON_DEPS} ) - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE=$(tc-getAR) \ - CC=$(usex mpi "mpic++" "$(tc-getCXX)") \ - F90=$(usex mpi "mpif90" "$(tc-getFC)") \ - LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC=$(usex mpi "" "-I../STUBS") \ - MPI_PATH=$(usex mpi "" "-L../STUBS") \ - MPI_LIB=$(usex mpi "" "-lmpi_stubs") \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - lmp_emake -C src yes-asphere - lmp_emake -C src yes-body - lmp_emake -C src yes-class2 - lmp_emake -C src yes-colloid - lmp_emake -C src yes-coreshell - lmp_emake -C src yes-dipole - lmp_emake -C src yes-fld - #lmp_emake -C src yes-gpu - lmp_emake -C src yes-granular - # Need OpenKIM external dependency. - #lmp_emake -C src yes-kim - # Need Kokkos external dependency. - #lmp_emake -C src yes-kokkos - lmp_emake -C src yes-kspace - lmp_emake -C src yes-manybody - lmp_emake -C src yes-mc - lmp_emake -C src yes-meam - lmp_emake -C src yes-misc - lmp_emake -C src yes-molecule - #lmp_emake -C src yes-mpiio - lmp_emake -C src yes-opt - lmp_emake -C src yes-peri - lmp_emake -C src yes-poems - lmp_emake -C src yes-qeq - lmp_emake -C src yes-reax - lmp_emake -C src yes-replica - lmp_emake -C src yes-rigid - lmp_emake -C src yes-shock - lmp_emake -C src yes-snap - lmp_emake -C src yes-srd - lmp_emake -C src yes-voronoi - lmp_emake -C src yes-xtc - - if use mpi; then - lmp_emake -C src yes-user-atc - fi - lmp_emake -C src yes-user-eff - lmp_emake -C src yes-user-fep - use mpi && lmp_emake -C src yes-user-lb - lmp_emake -C src yes-user-phonon - lmp_emake -C src yes-user-sph -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - # Patch python. - epatch "${FILESDIR}/lammps-python3.patch" - epatch "${FILESDIR}/python-shebang.patch" -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20150515.ebuild b/sci-physics/lammps/lammps-20150515.ebuild deleted file mode 100644 index 7f166b3bbb6a..000000000000 --- a/sci-physics/lammps/lammps-20150515.ebuild +++ /dev/null @@ -1,266 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - case $1 in - 01) echo Jan - ;; - 02) echo Feb - ;; - 03) echo Mar - ;; - 04) echo Apr - ;; - 05) echo May - ;; - 06) echo Jun - ;; - 07) echo Jul - ;; - 08) echo Aug - ;; - 09) echo Sep - ;; - 10) echo Oct - ;; - 11) echo Nov - ;; - 12) echo Dec - ;; - *) echo unknown - ;; - esac -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="amd64 x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -DEPEND=" - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - gzip? ( app-arch/gzip ) - sci-libs/voro++ - python? ( ${PYTHON_DEPS} ) - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE=$(tc-getAR) \ - CC=$(usex mpi "mpic++" "$(tc-getCXX)") \ - F90=$(usex mpi "mpif90" "$(tc-getFC)") \ - LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC=$(usex mpi "" "-I../STUBS") \ - MPI_PATH=$(usex mpi "" "-L../STUBS") \ - MPI_LIB=$(usex mpi "" "-lmpi_stubs") \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - lmp_emake -C src yes-asphere - lmp_emake -C src yes-body - lmp_emake -C src yes-class2 - lmp_emake -C src yes-colloid - lmp_emake -C src yes-coreshell - lmp_emake -C src yes-dipole - lmp_emake -C src yes-fld - #lmp_emake -C src yes-gpu - lmp_emake -C src yes-granular - # Need OpenKIM external dependency. - #lmp_emake -C src yes-kim - # Need Kokkos external dependency. - #lmp_emake -C src yes-kokkos - lmp_emake -C src yes-kspace - lmp_emake -C src yes-manybody - lmp_emake -C src yes-mc - lmp_emake -C src yes-meam - lmp_emake -C src yes-misc - lmp_emake -C src yes-molecule - #lmp_emake -C src yes-mpiio - lmp_emake -C src yes-opt - lmp_emake -C src yes-peri - lmp_emake -C src yes-poems - lmp_emake -C src yes-qeq - lmp_emake -C src yes-reax - lmp_emake -C src yes-replica - lmp_emake -C src yes-rigid - lmp_emake -C src yes-shock - lmp_emake -C src yes-snap - lmp_emake -C src yes-srd - lmp_emake -C src yes-voronoi - lmp_emake -C src yes-xtc - - if use mpi; then - lmp_emake -C src yes-user-atc - fi - lmp_emake -C src yes-user-eff - lmp_emake -C src yes-user-fep - use mpi && lmp_emake -C src yes-user-lb - lmp_emake -C src yes-user-phonon - lmp_emake -C src yes-user-sph -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - # Patch python. - epatch "${FILESDIR}/lammps-python3.patch" - epatch "${FILESDIR}/python-shebang.patch" -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20150810.ebuild b/sci-physics/lammps/lammps-20150810.ebuild deleted file mode 100644 index 6fd889c9040c..000000000000 --- a/sci-physics/lammps/lammps-20150810.ebuild +++ /dev/null @@ -1,266 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - case $1 in - 01) echo Jan - ;; - 02) echo Feb - ;; - 03) echo Mar - ;; - 04) echo Apr - ;; - 05) echo May - ;; - 06) echo Jun - ;; - 07) echo Jul - ;; - 08) echo Aug - ;; - 09) echo Sep - ;; - 10) echo Oct - ;; - 11) echo Nov - ;; - 12) echo Dec - ;; - *) echo unknown - ;; - esac -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="amd64 x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -DEPEND=" - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - gzip? ( app-arch/gzip ) - sci-libs/voro++ - python? ( ${PYTHON_DEPS} ) - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE=$(tc-getAR) \ - CC=$(usex mpi "mpic++" "$(tc-getCXX)") \ - F90=$(usex mpi "mpif90" "$(tc-getFC)") \ - LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC=$(usex mpi "" "-I../STUBS") \ - MPI_PATH=$(usex mpi "" "-L../STUBS") \ - MPI_LIB=$(usex mpi "" "-lmpi_stubs") \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - lmp_emake -C src yes-asphere - lmp_emake -C src yes-body - lmp_emake -C src yes-class2 - lmp_emake -C src yes-colloid - lmp_emake -C src yes-coreshell - lmp_emake -C src yes-dipole - lmp_emake -C src yes-fld - #lmp_emake -C src yes-gpu - lmp_emake -C src yes-granular - # Need OpenKIM external dependency. - #lmp_emake -C src yes-kim - # Need Kokkos external dependency. - #lmp_emake -C src yes-kokkos - lmp_emake -C src yes-kspace - lmp_emake -C src yes-manybody - lmp_emake -C src yes-mc - lmp_emake -C src yes-meam - lmp_emake -C src yes-misc - lmp_emake -C src yes-molecule - #lmp_emake -C src yes-mpiio - lmp_emake -C src yes-opt - lmp_emake -C src yes-peri - lmp_emake -C src yes-poems - lmp_emake -C src yes-qeq - lmp_emake -C src yes-reax - lmp_emake -C src yes-replica - lmp_emake -C src yes-rigid - lmp_emake -C src yes-shock - lmp_emake -C src yes-snap - lmp_emake -C src yes-srd - lmp_emake -C src yes-voronoi - lmp_emake -C src yes-xtc - - if use mpi; then - lmp_emake -C src yes-user-atc - fi - lmp_emake -C src yes-user-eff - lmp_emake -C src yes-user-fep - use mpi && lmp_emake -C src yes-user-lb - lmp_emake -C src yes-user-phonon - lmp_emake -C src yes-user-sph -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - # Patch python. - epatch "${FILESDIR}/lammps-python3.patch" - epatch "${FILESDIR}/python-shebang.patch" -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20151106.ebuild b/sci-physics/lammps/lammps-20151106.ebuild deleted file mode 100644 index c3babf7669cd..000000000000 --- a/sci-physics/lammps/lammps-20151106.ebuild +++ /dev/null @@ -1,212 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -DEPEND=" - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - gzip? ( app-arch/gzip ) - sci-libs/voro++ - python? ( ${PYTHON_DEPS} ) - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE="$(tc-getAR)" \ - CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - F90="$(usex mpi "mpif90" "$(tc-getFC)")" \ - LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC="$(usex mpi "" "-I../STUBS")" \ - MPI_PATH="$(usex mpi "" "-L../STUBS")" \ - MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - local packages=( yes-asphere yes-body yes-class2 yes-colloid \ - yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \ - yes-manybody yes-mc yes-meam yes-misc \ - $(usex mpi "yes-user-atc" "") \ - yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \ - yes-replica yes-rigid yes-shock yes-snap yes-srd \ - yes-user-eff yes-user-fep \ - $(usex mpi "yes-user-lb" "") \ - yes-user-phonon yes-user-sph yes-voronoi yes-xtc ) - - for p in ${packages[@]}; do - lmp_emake -C src ${p} - done -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - # Patch python. - epatch "${FILESDIR}/lammps-python3-r1.patch" - epatch "${FILESDIR}/python-shebang.patch" -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20151120.ebuild b/sci-physics/lammps/lammps-20151120.ebuild deleted file mode 100644 index c3babf7669cd..000000000000 --- a/sci-physics/lammps/lammps-20151120.ebuild +++ /dev/null @@ -1,212 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -DEPEND=" - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - gzip? ( app-arch/gzip ) - sci-libs/voro++ - python? ( ${PYTHON_DEPS} ) - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE="$(tc-getAR)" \ - CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - F90="$(usex mpi "mpif90" "$(tc-getFC)")" \ - LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC="$(usex mpi "" "-I../STUBS")" \ - MPI_PATH="$(usex mpi "" "-L../STUBS")" \ - MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - local packages=( yes-asphere yes-body yes-class2 yes-colloid \ - yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \ - yes-manybody yes-mc yes-meam yes-misc \ - $(usex mpi "yes-user-atc" "") \ - yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \ - yes-replica yes-rigid yes-shock yes-snap yes-srd \ - yes-user-eff yes-user-fep \ - $(usex mpi "yes-user-lb" "") \ - yes-user-phonon yes-user-sph yes-voronoi yes-xtc ) - - for p in ${packages[@]}; do - lmp_emake -C src ${p} - done -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - # Patch python. - epatch "${FILESDIR}/lammps-python3-r1.patch" - epatch "${FILESDIR}/python-shebang.patch" -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20151207.ebuild b/sci-physics/lammps/lammps-20151207.ebuild deleted file mode 100644 index 65c5882cce53..000000000000 --- a/sci-physics/lammps/lammps-20151207.ebuild +++ /dev/null @@ -1,216 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="amd64 x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -DEPEND=" - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - gzip? ( app-arch/gzip ) - sci-libs/voro++ - python? ( ${PYTHON_DEPS} ) - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE="$(tc-getAR)" \ - CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - F90="$(usex mpi "mpif90" "$(tc-getFC)")" \ - LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC="$(usex mpi "" "-I../STUBS")" \ - MPI_PATH="$(usex mpi "" "-L../STUBS")" \ - MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - local packages=( yes-asphere yes-body yes-class2 yes-colloid \ - yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \ - yes-manybody yes-mc yes-meam yes-misc \ - $(usex mpi "yes-user-atc" "") \ - yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \ - yes-replica yes-rigid yes-shock yes-snap yes-srd \ - yes-user-eff yes-user-fep \ - $(usex mpi "yes-user-lb" "") \ - yes-user-phonon yes-user-sph yes-voronoi yes-xtc ) - - for p in ${packages[@]}; do - lmp_emake -C src ${p} - done -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - # Patch python. - epatch "${FILESDIR}/lammps-python3-r1.patch" - epatch "${FILESDIR}/python-shebang.patch" -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # STUBS/mpi.c is using '#include ' now instead of '#include - # "mpi.h"' which requires an additional '-I.'. - append-cxxflags -I. - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20151208.ebuild b/sci-physics/lammps/lammps-20151208.ebuild deleted file mode 100644 index 214321dbf109..000000000000 --- a/sci-physics/lammps/lammps-20151208.ebuild +++ /dev/null @@ -1,216 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -DEPEND=" - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - gzip? ( app-arch/gzip ) - sci-libs/voro++ - python? ( ${PYTHON_DEPS} ) - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE="$(tc-getAR)" \ - CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - F90="$(usex mpi "mpif90" "$(tc-getFC)")" \ - LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC="$(usex mpi "" "-I../STUBS")" \ - MPI_PATH="$(usex mpi "" "-L../STUBS")" \ - MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - local packages=( yes-asphere yes-body yes-class2 yes-colloid \ - yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \ - yes-manybody yes-mc yes-meam yes-misc \ - $(usex mpi "yes-user-atc" "") \ - yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \ - yes-replica yes-rigid yes-shock yes-snap yes-srd \ - yes-user-eff yes-user-fep \ - $(usex mpi "yes-user-lb" "") \ - yes-user-phonon yes-user-sph yes-voronoi yes-xtc ) - - for p in ${packages[@]}; do - lmp_emake -C src ${p} - done -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - # Patch python. - epatch "${FILESDIR}/lammps-python3-r1.patch" - epatch "${FILESDIR}/python-shebang.patch" -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # STUBS/mpi.c is using '#include ' now instead of '#include - # "mpi.h"' which requires an additional '-I.'. - append-cxxflags -I. - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20151209.ebuild b/sci-physics/lammps/lammps-20151209.ebuild deleted file mode 100644 index 214321dbf109..000000000000 --- a/sci-physics/lammps/lammps-20151209.ebuild +++ /dev/null @@ -1,216 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -DEPEND=" - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - gzip? ( app-arch/gzip ) - sci-libs/voro++ - python? ( ${PYTHON_DEPS} ) - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE="$(tc-getAR)" \ - CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - F90="$(usex mpi "mpif90" "$(tc-getFC)")" \ - LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC="$(usex mpi "" "-I../STUBS")" \ - MPI_PATH="$(usex mpi "" "-L../STUBS")" \ - MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - local packages=( yes-asphere yes-body yes-class2 yes-colloid \ - yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \ - yes-manybody yes-mc yes-meam yes-misc \ - $(usex mpi "yes-user-atc" "") \ - yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \ - yes-replica yes-rigid yes-shock yes-snap yes-srd \ - yes-user-eff yes-user-fep \ - $(usex mpi "yes-user-lb" "") \ - yes-user-phonon yes-user-sph yes-voronoi yes-xtc ) - - for p in ${packages[@]}; do - lmp_emake -C src ${p} - done -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - # Patch python. - epatch "${FILESDIR}/lammps-python3-r1.patch" - epatch "${FILESDIR}/python-shebang.patch" -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # STUBS/mpi.c is using '#include ' now instead of '#include - # "mpi.h"' which requires an additional '-I.'. - append-cxxflags -I. - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20151211.ebuild b/sci-physics/lammps/lammps-20151211.ebuild deleted file mode 100644 index 214321dbf109..000000000000 --- a/sci-physics/lammps/lammps-20151211.ebuild +++ /dev/null @@ -1,216 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -DEPEND=" - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - gzip? ( app-arch/gzip ) - sci-libs/voro++ - python? ( ${PYTHON_DEPS} ) - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE="$(tc-getAR)" \ - CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - F90="$(usex mpi "mpif90" "$(tc-getFC)")" \ - LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC="$(usex mpi "" "-I../STUBS")" \ - MPI_PATH="$(usex mpi "" "-L../STUBS")" \ - MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - local packages=( yes-asphere yes-body yes-class2 yes-colloid \ - yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \ - yes-manybody yes-mc yes-meam yes-misc \ - $(usex mpi "yes-user-atc" "") \ - yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \ - yes-replica yes-rigid yes-shock yes-snap yes-srd \ - yes-user-eff yes-user-fep \ - $(usex mpi "yes-user-lb" "") \ - yes-user-phonon yes-user-sph yes-voronoi yes-xtc ) - - for p in ${packages[@]}; do - lmp_emake -C src ${p} - done -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - # Patch python. - epatch "${FILESDIR}/lammps-python3-r1.patch" - epatch "${FILESDIR}/python-shebang.patch" -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # STUBS/mpi.c is using '#include ' now instead of '#include - # "mpi.h"' which requires an additional '-I.'. - append-cxxflags -I. - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20160115.ebuild b/sci-physics/lammps/lammps-20160115.ebuild deleted file mode 100644 index c03e8b7c23f4..000000000000 --- a/sci-physics/lammps/lammps-20160115.ebuild +++ /dev/null @@ -1,217 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -# blas/lapack is needed by the ATC package which is only built with MPI. -DEPEND=" - gzip? ( app-arch/gzip ) - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - python? ( ${PYTHON_DEPS} ) - sci-libs/voro++ - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE="$(tc-getAR)" \ - CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - F90="$(usex mpi "mpif90" "$(tc-getFC)")" \ - LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC="$(usex mpi "" "-I../STUBS")" \ - MPI_PATH="$(usex mpi "" "-L../STUBS")" \ - MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - local packages=( yes-asphere yes-body yes-class2 yes-colloid \ - yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \ - yes-manybody yes-mc yes-meam yes-misc \ - $(usex mpi "yes-user-atc" "") \ - yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \ - yes-replica yes-rigid yes-shock yes-snap yes-srd \ - yes-user-eff yes-user-fep \ - $(usex mpi "yes-user-lb" "") \ - yes-user-phonon yes-user-sph yes-voronoi yes-xtc ) - - for p in ${packages[@]}; do - lmp_emake -C src ${p} - done -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - # Patch python. - epatch "${FILESDIR}/lammps-python3-r1.patch" - epatch "${FILESDIR}/python-shebang.patch" -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # STUBS/mpi.c is using '#include ' now instead of '#include - # "mpi.h"' which requires an additional '-I.'. - append-cxxflags -I. - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20160122.ebuild b/sci-physics/lammps/lammps-20160122.ebuild deleted file mode 100644 index c03e8b7c23f4..000000000000 --- a/sci-physics/lammps/lammps-20160122.ebuild +++ /dev/null @@ -1,217 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -# blas/lapack is needed by the ATC package which is only built with MPI. -DEPEND=" - gzip? ( app-arch/gzip ) - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - python? ( ${PYTHON_DEPS} ) - sci-libs/voro++ - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE="$(tc-getAR)" \ - CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - F90="$(usex mpi "mpif90" "$(tc-getFC)")" \ - LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC="$(usex mpi "" "-I../STUBS")" \ - MPI_PATH="$(usex mpi "" "-L../STUBS")" \ - MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - local packages=( yes-asphere yes-body yes-class2 yes-colloid \ - yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \ - yes-manybody yes-mc yes-meam yes-misc \ - $(usex mpi "yes-user-atc" "") \ - yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \ - yes-replica yes-rigid yes-shock yes-snap yes-srd \ - yes-user-eff yes-user-fep \ - $(usex mpi "yes-user-lb" "") \ - yes-user-phonon yes-user-sph yes-voronoi yes-xtc ) - - for p in ${packages[@]}; do - lmp_emake -C src ${p} - done -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - # Patch python. - epatch "${FILESDIR}/lammps-python3-r1.patch" - epatch "${FILESDIR}/python-shebang.patch" -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # STUBS/mpi.c is using '#include ' now instead of '#include - # "mpi.h"' which requires an additional '-I.'. - append-cxxflags -I. - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20160216.ebuild b/sci-physics/lammps/lammps-20160216.ebuild deleted file mode 100644 index 1a3008024a9f..000000000000 --- a/sci-physics/lammps/lammps-20160216.ebuild +++ /dev/null @@ -1,217 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -# blas/lapack is needed by the ATC package which is only built with MPI. -DEPEND=" - gzip? ( app-arch/gzip ) - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - python? ( ${PYTHON_DEPS} ) - sci-libs/voro++ - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE="$(tc-getAR)" \ - CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - F90="$(usex mpi "mpif90" "$(tc-getFC)")" \ - LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC="$(usex mpi "" "-I../STUBS")" \ - MPI_PATH="$(usex mpi "" "-L../STUBS")" \ - MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - local packages=( yes-asphere yes-body yes-class2 yes-colloid \ - yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \ - yes-manybody yes-mc yes-meam yes-misc \ - $(usex mpi "yes-user-atc" "") \ - yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \ - yes-replica yes-rigid yes-shock yes-snap yes-srd \ - yes-user-eff yes-user-fep \ - $(usex mpi "yes-user-lb" "") \ - yes-user-phonon yes-user-sph yes-voronoi yes-xtc ) - - for p in ${packages[@]}; do - lmp_emake -C src ${p} - done -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - # Patch python. - epatch "${FILESDIR}/lammps-python3-r2.patch" - epatch "${FILESDIR}/python-shebang.patch" -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # STUBS/mpi.c is using '#include ' now instead of '#include - # "mpi.h"' which requires an additional '-I.'. - append-cxxflags -I. - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20160301.ebuild b/sci-physics/lammps/lammps-20160301.ebuild deleted file mode 100644 index 1a3008024a9f..000000000000 --- a/sci-physics/lammps/lammps-20160301.ebuild +++ /dev/null @@ -1,217 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -# blas/lapack is needed by the ATC package which is only built with MPI. -DEPEND=" - gzip? ( app-arch/gzip ) - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - python? ( ${PYTHON_DEPS} ) - sci-libs/voro++ - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE="$(tc-getAR)" \ - CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - F90="$(usex mpi "mpif90" "$(tc-getFC)")" \ - LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC="$(usex mpi "" "-I../STUBS")" \ - MPI_PATH="$(usex mpi "" "-L../STUBS")" \ - MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - local packages=( yes-asphere yes-body yes-class2 yes-colloid \ - yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \ - yes-manybody yes-mc yes-meam yes-misc \ - $(usex mpi "yes-user-atc" "") \ - yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \ - yes-replica yes-rigid yes-shock yes-snap yes-srd \ - yes-user-eff yes-user-fep \ - $(usex mpi "yes-user-lb" "") \ - yes-user-phonon yes-user-sph yes-voronoi yes-xtc ) - - for p in ${packages[@]}; do - lmp_emake -C src ${p} - done -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - # Patch python. - epatch "${FILESDIR}/lammps-python3-r2.patch" - epatch "${FILESDIR}/python-shebang.patch" -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # STUBS/mpi.c is using '#include ' now instead of '#include - # "mpi.h"' which requires an additional '-I.'. - append-cxxflags -I. - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20160310.ebuild b/sci-physics/lammps/lammps-20160310.ebuild deleted file mode 100644 index 1a3008024a9f..000000000000 --- a/sci-physics/lammps/lammps-20160310.ebuild +++ /dev/null @@ -1,217 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -# blas/lapack is needed by the ATC package which is only built with MPI. -DEPEND=" - gzip? ( app-arch/gzip ) - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - python? ( ${PYTHON_DEPS} ) - sci-libs/voro++ - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE="$(tc-getAR)" \ - CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - F90="$(usex mpi "mpif90" "$(tc-getFC)")" \ - LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC="$(usex mpi "" "-I../STUBS")" \ - MPI_PATH="$(usex mpi "" "-L../STUBS")" \ - MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - local packages=( yes-asphere yes-body yes-class2 yes-colloid \ - yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \ - yes-manybody yes-mc yes-meam yes-misc \ - $(usex mpi "yes-user-atc" "") \ - yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \ - yes-replica yes-rigid yes-shock yes-snap yes-srd \ - yes-user-eff yes-user-fep \ - $(usex mpi "yes-user-lb" "") \ - yes-user-phonon yes-user-sph yes-voronoi yes-xtc ) - - for p in ${packages[@]}; do - lmp_emake -C src ${p} - done -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - # Patch python. - epatch "${FILESDIR}/lammps-python3-r2.patch" - epatch "${FILESDIR}/python-shebang.patch" -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # STUBS/mpi.c is using '#include ' now instead of '#include - # "mpi.h"' which requires an additional '-I.'. - append-cxxflags -I. - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20160314.ebuild b/sci-physics/lammps/lammps-20160314.ebuild deleted file mode 100644 index 1a3008024a9f..000000000000 --- a/sci-physics/lammps/lammps-20160314.ebuild +++ /dev/null @@ -1,217 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -# blas/lapack is needed by the ATC package which is only built with MPI. -DEPEND=" - gzip? ( app-arch/gzip ) - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - python? ( ${PYTHON_DEPS} ) - sci-libs/voro++ - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE="$(tc-getAR)" \ - CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - F90="$(usex mpi "mpif90" "$(tc-getFC)")" \ - LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC="$(usex mpi "" "-I../STUBS")" \ - MPI_PATH="$(usex mpi "" "-L../STUBS")" \ - MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - local packages=( yes-asphere yes-body yes-class2 yes-colloid \ - yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \ - yes-manybody yes-mc yes-meam yes-misc \ - $(usex mpi "yes-user-atc" "") \ - yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \ - yes-replica yes-rigid yes-shock yes-snap yes-srd \ - yes-user-eff yes-user-fep \ - $(usex mpi "yes-user-lb" "") \ - yes-user-phonon yes-user-sph yes-voronoi yes-xtc ) - - for p in ${packages[@]}; do - lmp_emake -C src ${p} - done -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - # Patch python. - epatch "${FILESDIR}/lammps-python3-r2.patch" - epatch "${FILESDIR}/python-shebang.patch" -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # STUBS/mpi.c is using '#include ' now instead of '#include - # "mpi.h"' which requires an additional '-I.'. - append-cxxflags -I. - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20160321.ebuild b/sci-physics/lammps/lammps-20160321.ebuild deleted file mode 100644 index 1a3008024a9f..000000000000 --- a/sci-physics/lammps/lammps-20160321.ebuild +++ /dev/null @@ -1,217 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -# blas/lapack is needed by the ATC package which is only built with MPI. -DEPEND=" - gzip? ( app-arch/gzip ) - mpi? ( - virtual/blas - virtual/lapack - virtual/mpi - ) - python? ( ${PYTHON_DEPS} ) - sci-libs/voro++ - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE="$(tc-getAR)" \ - CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - F90="$(usex mpi "mpif90" "$(tc-getFC)")" \ - LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC="$(usex mpi "" "-I../STUBS")" \ - MPI_PATH="$(usex mpi "" "-L../STUBS")" \ - MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - local packages=( yes-asphere yes-body yes-class2 yes-colloid \ - yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \ - yes-manybody yes-mc yes-meam yes-misc \ - $(usex mpi "yes-user-atc" "") \ - yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \ - yes-replica yes-rigid yes-shock yes-snap yes-srd \ - yes-user-eff yes-user-fep \ - $(usex mpi "yes-user-lb" "") \ - yes-user-phonon yes-user-sph yes-voronoi yes-xtc ) - - for p in ${packages[@]}; do - lmp_emake -C src ${p} - done -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - # Patch python. - epatch "${FILESDIR}/lammps-python3-r2.patch" - epatch "${FILESDIR}/python-shebang.patch" -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # STUBS/mpi.c is using '#include ' now instead of '#include - # "mpi.h"' which requires an additional '-I.'. - append-cxxflags -I. - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20160407.ebuild b/sci-physics/lammps/lammps-20160407.ebuild deleted file mode 100644 index 2b9ec4977e78..000000000000 --- a/sci-physics/lammps/lammps-20160407.ebuild +++ /dev/null @@ -1,218 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -# blas/lapack is needed by the ATC package which is only built with MPI. -DEPEND=" - gzip? ( app-arch/gzip ) - mpi? ( - virtual/mpi - ) - python? ( ${PYTHON_DEPS} ) - sci-libs/voro++ - virtual/blas - virtual/lapack - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE="$(tc-getAR)" \ - CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - F90="$(usex mpi "mpif90" "$(tc-getFC)")" \ - LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC="$(usex mpi "" "-I../STUBS")" \ - MPI_PATH="$(usex mpi "" "-L../STUBS")" \ - MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - local packages=( yes-asphere yes-body yes-class2 yes-colloid \ - yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \ - yes-manybody yes-mc yes-meam yes-misc \ - $(usex mpi "yes-user-atc" "") \ - yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \ - yes-replica yes-rigid yes-shock yes-snap yes-srd \ - yes-user-eff yes-user-fep \ - $(usex mpi "yes-user-lb" "") \ - yes-user-phonon yes-user-sph yes-voronoi yes-xtc ) - - for p in ${packages[@]}; do - lmp_emake -C src ${p} - done -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - # Patch python. - epatch "${FILESDIR}/lammps-python3-r2.patch" - epatch "${FILESDIR}/python-shebang.patch" - epatch "${FILESDIR}/gcc-6.patch" -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # STUBS/mpi.c is using '#include ' now instead of '#include - # "mpi.h"' which requires an additional '-I.'. - append-cxxflags -I. - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20160730.ebuild b/sci-physics/lammps/lammps-20160730.ebuild deleted file mode 100644 index bc2824347c8d..000000000000 --- a/sci-physics/lammps/lammps-20160730.ebuild +++ /dev/null @@ -1,220 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -# blas/lapack is needed by the ATC package which is only built with MPI. -DEPEND=" - gzip? ( app-arch/gzip ) - mpi? ( - virtual/mpi - ) - python? ( ${PYTHON_DEPS} ) - sci-libs/voro++ - virtual/blas - virtual/lapack - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -PATCHES=( - "${FILESDIR}/fm_exp.patch" -) - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE="$(tc-getAR)" \ - CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - F90="$(usex mpi "mpif90" "$(tc-getFC)")" \ - LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC="$(usex mpi "" "-I../STUBS")" \ - MPI_PATH="$(usex mpi "" "-L../STUBS")" \ - MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - local packages=( yes-asphere yes-body yes-class2 yes-colloid \ - yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \ - yes-manybody yes-mc yes-meam yes-misc \ - $(usex mpi "yes-user-atc" "") \ - yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \ - yes-replica yes-rigid yes-shock yes-snap yes-srd \ - yes-user-eff yes-user-fep \ - $(usex mpi "yes-user-lb" "") \ - yes-user-phonon yes-user-sph yes-voronoi yes-xtc ) - - for p in ${packages[@]}; do - lmp_emake -C src ${p} - done -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - eapply "${PATCHES[@]}" - eapply_user -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # STUBS/mpi.c is using '#include ' now instead of '#include - # "mpi.h"' which requires an additional '-I.'. - append-cxxflags -I. - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20170109.ebuild b/sci-physics/lammps/lammps-20170109.ebuild deleted file mode 100644 index 9cf71b8e0c89..000000000000 --- a/sci-physics/lammps/lammps-20170109.ebuild +++ /dev/null @@ -1,220 +0,0 @@ -# Copyright 1999-2020 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -PYTHON_COMPAT=( python{2_7,3_6} ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="amd64 x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -# blas/lapack is needed by the ATC package which is only built with MPI. -DEPEND=" - gzip? ( app-arch/gzip ) - mpi? ( - virtual/mpi - ) - python? ( ${PYTHON_DEPS} ) - sci-libs/voro++ - virtual/blas - virtual/lapack - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -PATCHES=( - "${FILESDIR}/fm_exp.patch" -) - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE="$(tc-getAR)" \ - CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - F90="$(usex mpi "mpif90" "$(tc-getFC)")" \ - LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC="$(usex mpi "" "-I../STUBS")" \ - MPI_PATH="$(usex mpi "" "-L../STUBS")" \ - MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - local packages=( yes-asphere yes-body yes-class2 yes-colloid \ - yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \ - yes-manybody yes-mc yes-meam yes-misc \ - $(usex mpi "yes-user-atc" "") \ - yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \ - yes-replica yes-rigid yes-shock yes-snap yes-srd \ - yes-user-eff yes-user-fep \ - $(usex mpi "yes-user-lb" "") \ - yes-user-phonon yes-user-sph yes-voronoi yes-xtc ) - - for p in ${packages[@]}; do - lmp_emake -C src ${p} - done -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - eapply "${PATCHES[@]}" - eapply_user -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # STUBS/mpi.c is using '#include ' now instead of '#include - # "mpi.h"' which requires an additional '-I.'. - append-cxxflags -I. - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain data2xmovie micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/data2xmovie - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20170706.ebuild b/sci-physics/lammps/lammps-20170706.ebuild deleted file mode 100644 index 2c030ea6e2e7..000000000000 --- a/sci-physics/lammps/lammps-20170706.ebuild +++ /dev/null @@ -1,219 +0,0 @@ -# Copyright 1999-2020 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -PYTHON_COMPAT=( python{2_7,3_6} ) - -inherit eutils flag-o-matic fortran-2 multilib python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc examples gzip lammps-memalign mpi python static-libs" - -# blas/lapack is needed by the ATC package which is only built with MPI. -DEPEND=" - gzip? ( app-arch/gzip ) - mpi? ( - virtual/mpi - ) - python? ( ${PYTHON_DEPS} ) - sci-libs/voro++ - virtual/blas - virtual/lapack - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}" - -PATCHES=( - "${FILESDIR}/fm_exp.patch" -) - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" - - # The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE="$(tc-getAR)" \ - CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - F90="$(usex mpi "mpif90" "$(tc-getFC)")" \ - LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC="$(usex mpi "" "-I../STUBS")" \ - MPI_PATH="$(usex mpi "" "-L../STUBS")" \ - MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \ - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ - "$@" -} - -lmp_activate_packages() { - # Build packages - local packages=( yes-asphere yes-body yes-class2 yes-colloid \ - yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \ - yes-manybody yes-mc yes-meam yes-misc \ - $(usex mpi "yes-user-atc" "") \ - yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \ - yes-replica yes-rigid yes-shock yes-snap yes-srd \ - yes-user-eff yes-user-fep \ - $(usex mpi "yes-user-lb" "") \ - yes-user-phonon yes-user-sph yes-voronoi yes-xtc ) - - for p in ${packages[@]}; do - lmp_emake -C src ${p} - done -} - -lmp_build_packages() { - lmp_emake -C lib/meam -j1 -f Makefile.gfortran - lmp_emake -C lib/poems -f Makefile.g++ - lmp_emake -C lib/reax -j1 -f Makefile.gfortran - use mpi && lmp_emake -C lib/atc -f Makefile.g++ -} - -lmp_clean_packages() { - lmp_emake -C lib/meam -f Makefile.gfortran clean - lmp_emake -C lib/poems -f Makefile.g++ clean - lmp_emake -C lib/reax -f Makefile.gfortran clean - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean -} - -src_prepare() { - # Fix inconsistent use of SHFLAGS. - sed -i \ - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ - lib/voronoi/Makefile.lammps || die - - # Fix missing .so name. - sed -i \ - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ - src/MAKE/Makefile.serial || die - - # Fix makefile in tools. - sed -i \ - -e 's:g++:$(CXX) $(CXXFLAGS):' \ - -e 's:gcc:$(CC) $(CCFLAGS):' \ - -e 's:ifort:$(FC) $(FCFLAGS):' \ - tools/Makefile || die - - eapply "${PATCHES[@]}" - eapply_user -} - -src_compile() { - # Fix atc... - append-cxxflags -I../../src - - # Acticate packages. - elog "Activating lammps packages..." - lmp_activate_packages - - # STUBS/mpi.c is using '#include ' now instead of '#include - # "mpi.h"' which requires an additional '-I.'. - append-cxxflags -I. - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - if use static-libs; then - # Build static library. - elog "Building static library..." - lmp_emake -C src mode=lib serial - fi - - # Clean out packages (that's not done by the build system with the clean - # target), so we can rebuild the packages with -fPIC. - elog "Cleaning packages..." - lmp_clean_packages - - # The build system does not rebuild the packages with -fPIC, adding flag - # manually. - append-cxxflags -fPIC - append-fflags -fPIC - - # Compile stubs for serial version. - use mpi || lmp_emake -C src mpi-stubs - - elog "Building packages..." - lmp_build_packages - - # Build shared library. - elog "Building shared library..." - lmp_emake -C src mode=shlib serial - - # Compile main executable. The shared library is always built, and - # mode=shexe is simply a way to re-use the object files built in the - # "shlib" step when linking the executable. The executable is not actually - # using the shared library. If we have built the static library, then we - # link that into the executable. - elog "Linking executable..." - if use static-libs; then - lmp_emake -C src mode=exe serial - else - lmp_emake -C src mode=shexe serial - fi - - # Compile tools. - elog "Building tools..." - lmp_emake -C tools binary2txt chain micelle2d -} - -src_install() { - use static-libs && newlib.a src/liblammps_serial.a liblammps.a - newlib.so src/liblammps_serial.so liblammps.so.0.0.0 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 - newbin src/lmp_serial lmp - dobin tools/binary2txt - dobin tools/chain - dobin tools/micelle2d - # Don't forget to add header files of optional packages as they are added - # to this ebuild. There may also be .mod files from Fortran based - # packages. - insinto "/usr/include/${PN}" - doins -r src/*.h lib/meam/*.mod - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dodoc -r doc/. - fi -} diff --git a/sci-physics/lammps/lammps-20170901-r1.ebuild b/sci-physics/lammps/lammps-20170901-r1.ebuild deleted file mode 100644 index 1efe9382d5aa..000000000000 --- a/sci-physics/lammps/lammps-20170901-r1.ebuild +++ /dev/null @@ -1,132 +0,0 @@ -# Copyright 1999-2020 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -PYTHON_COMPAT=( python{2_7,3_6} ) - -inherit cmake-utils fortran-2 python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}" -MY_P="${PN}-${MY_PV}" - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="cuda examples gzip lammps-memalign mpi netcdf python test" -RESTRICT="!test? ( test )" - -DEPEND=" - app-arch/gzip - media-libs/libpng:0 - sys-libs/zlib - mpi? ( - virtual/mpi - sci-libs/hdf5[mpi] - ) - python? ( ${PYTHON_DEPS} ) - sci-libs/voro++ - virtual/blas - virtual/lapack - sci-libs/fftw:3.0 - netcdf? ( sci-libs/netcdf ) - cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) - dev-cpp/eigen:3 - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}/cmake" - -src_configure() { - local mycmakeargs=( - -DBUILD_SHARED_LIBS=ON - -DENABLE_MPI=$(usex mpi) - -DENABLE_GPU=$(usex cuda) - -DENABLE_TESTING=$(usex test) - -DENABLE_ASPHERE=ON - -DENABLE_BODY=ON - -DENABLE_CLASS2=ON - -DENABLE_COLLOID=ON - -DENABLE_COMPRESS=ON - -DENABLE_CORESHELL=ON - -DENABLE_DIPOLE=ON - -DENABLE_GRANULAR=ON - -DENABLE_KSPACE=ON - -DFFT=FFTW3 - -DENABLE_MANYBODY=ON - -DENABLE_MC=ON - -DENABLE_MEAM=ON - -DENABLE_MISC=ON - -DLAMMPS_XDR=ON #630444 - -DENABLE_MOLECULE=ON - -DENABLE_PERI=ON - -DENABLE_QEQ=ON - -DENABLE_REAX=ON - -DENABLE_REPLICA=ON - -DENABLE_RIGID=ON - -DENABLE_SHOCK=ON - -DENABLE_SNAP=ON - -DENABLE_SRD=ON - -DENABLE_PYTHON=ON - -DENABLE_MPIIO=$(usex mpi) - -DENABLE_VORONOI=ON - -DENABLE_USER-ATC=ON - -DENABLE_USER-AWPMD=ON - -DENABLE_USER-CGDNA=ON - -DENABLE_USER-CGSDK=ON - -DENABLE_USER-COLVARS=ON - -DENABLE_USER-DIFFRACTION=ON - -DENABLE_USER-DPD=ON - -DENABLE_USER-DRUDE=ON - -DENABLE_USER-EFF=ON - -DENABLE_USER-FEP=ON - -DENABLE_USER-H5MD=$(usex mpi) - -DENABLE_USER-LB=$(usex mpi) - -DENABLE_USER-MANIFOLD=ON - -DENABLE_USER-MEAMC=ON - -DENABLE_USER-MGPT=ON - -DENABLE_USER-MISC=ON - -DENABLE_USER-MOLFILE=ON - -DENABLE_USER-NETCDF=$(usex netcdf) - -DENABLE_USER-PHONON=ON - -DENABLE_USER-QTB=ON - -DENABLE_USER-REAXC=ON - -DENABLE_USER-SMD=ON - -DENABLE_USER-SMTBQ=ON - -DENABLE_USER-SPH=ON - -DENABLE_USER-TALLY=ON - ) - cmake-utils_src_configure -} - -src_install() { - cmake-utils_src_install - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins "${S}"/../potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py - - if use examples; then - for d in examples bench; do - local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}" - insinto "${LAMMPS_EXAMPLES}" - doins -r "${S}"/../${d}/* - done - fi -} diff --git a/sci-physics/lammps/lammps-20170901.ebuild b/sci-physics/lammps/lammps-20170901.ebuild deleted file mode 100644 index 3e898dcb6a15..000000000000 --- a/sci-physics/lammps/lammps-20170901.ebuild +++ /dev/null @@ -1,130 +0,0 @@ -# Copyright 1999-2020 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -PYTHON_COMPAT=( python{2_7,3_6} ) - -inherit cmake-utils fortran-2 python-r1 - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}" -MY_P="${PN}-${MY_PV}" - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="cuda examples gzip lammps-memalign mpi netcdf python test" -RESTRICT="!test? ( test )" - -DEPEND=" - app-arch/gzip - media-libs/libpng:0 - sys-libs/zlib - mpi? ( - virtual/mpi - sci-libs/hdf5[mpi] - ) - python? ( ${PYTHON_DEPS} ) - sci-libs/voro++ - virtual/blas - virtual/lapack - sci-libs/fftw:3.0 - netcdf? ( sci-libs/netcdf ) - cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) - dev-cpp/eigen:3 - " -RDEPEND="${DEPEND}" - -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" - -S="${WORKDIR}/${MY_P}/cmake" - -src_configure() { - local mycmakeargs=( - -DBUILD_SHARED_LIBS=ON - -DENABLE_MPI=$(usex mpi) - -DENABLE_GPU=$(usex cuda) - -DENABLE_TESTING=$(usex test) - -DENABLE_ASPHERE=ON - -DENABLE_BODY=ON - -DENABLE_CLASS2=ON - -DENABLE_COLLOID=ON - -DENABLE_COMPRESS=ON - -DENABLE_CORESHELL=ON - -DENABLE_DIPOLE=ON - -DENABLE_GRANULAR=ON - -DENABLE_KSPACE=ON - -DFFT=FFTW3 - -DENABLE_MANYBODY=ON - -DENABLE_MC=ON - -DENABLE_MEAM=ON - -DENABLE_MISC=ON - -DLAMMPS_XDR=ON #630444 - -DENABLE_MOLECULE=ON - -DENABLE_PERI=ON - -DENABLE_QEQ=ON - -DENABLE_REAX=ON - -DENABLE_REPLICA=ON - -DENABLE_RIGID=ON - -DENABLE_SHOCK=ON - -DENABLE_SNAP=ON - -DENABLE_SRD=ON - -DENABLE_PYTHON=ON - -DENABLE_MPIIO=$(usex mpi) - -DENABLE_VORONOI=ON - -DENABLE_USER-ATC=ON - -DENABLE_USER-AWPMD=ON - -DENABLE_USER-CGDNA=ON - -DENABLE_USER-CGSDK=ON - -DENABLE_USER-COLVARS=ON - -DENABLE_USER-DIFFRACTION=ON - -DENABLE_USER-DPD=ON - -DENABLE_USER-DRUDE=ON - -DENABLE_USER-EFF=ON - -DENABLE_USER-FEP=ON - -DENABLE_USER-H5MD=$(usex mpi) - -DENABLE_USER-LB=$(usex mpi) - -DENABLE_USER-MANIFOLD=ON - -DENABLE_USER-MEAMC=ON - -DENABLE_USER-MGPT=ON - -DENABLE_USER-MISC=ON - -DENABLE_USER-MOLFILE=ON - -DENABLE_USER-NETCDF=$(usex netcdf) - -DENABLE_USER-PHONON=ON - -DENABLE_USER-QTB=ON - -DENABLE_USER-REAXC=ON - -DENABLE_USER-SMD=ON - -DENABLE_USER-SMTBQ=ON - -DENABLE_USER-SPH=ON - -DENABLE_USER-TALLY=ON - ) - cmake-utils_src_configure -} - -src_install() { - cmake-utils_src_install - - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" - insinto "/${LAMMPS_POTENTIALS}" - doins "${S}"/../potentials/* - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - # Install python script. - use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r "${S}"/../examples/* - fi -} diff --git a/sci-physics/lammps/lammps-20190807-r1.ebuild b/sci-physics/lammps/lammps-20190807-r1.ebuild new file mode 100644 index 000000000000..b1341c65e68e --- /dev/null +++ b/sci-physics/lammps/lammps-20190807-r1.ebuild @@ -0,0 +1,131 @@ +# Copyright 1999-2020 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=6 + +PYTHON_COMPAT=( python3_{6,7} ) + +inherit cmake-utils fortran-2 python-r1 + +convert_month() { + local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) + echo ${months[${1#0}]} +} + +MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}" +MY_P="${PN}-${MY_PV}" + +DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" +HOMEPAGE="https://lammps.sandia.gov/" +TCOMMIT=d0394a77fa2b4b2d545a73ea092cf6de7616aac8 +SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz + test? ( https://github.com/lammps/lammps-testing/archive/${TCOMMIT}.tar.gz -> ${PN}-testing-${TCOMMIT}.tar.gz )" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="cuda examples gzip lammps-memalign mpi netcdf python test" +RESTRICT="!test? ( test )" + +DEPEND=" + app-arch/gzip + media-libs/libpng:0 + sys-libs/zlib + mpi? ( + virtual/mpi + sci-libs/hdf5[mpi] + ) + python? ( ${PYTHON_DEPS} ) + sci-libs/voro++ + virtual/blas + virtual/lapack + sci-libs/fftw:3.0 + netcdf? ( sci-libs/netcdf ) + cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) + dev-cpp/eigen:3 + " +RDEPEND="${DEPEND}" + +REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" + +S="${WORKDIR}/${MY_P}/cmake" + +src_configure() { + local mycmakeargs=( + -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc" + -DBUILD_SHARED_LIBS=ON + -DBUILD_MPI=$(usex mpi) + -DBUILD_LIB=ON + -DPKG_GPU=$(usex cuda) + -DGPU_API=CUDA + -DENABLE_TESTING=$(usex test) + -DLAMMPS_TESTING_SOURCE_DIR=$(echo "${WORKDIR}"/lammps-testing-*) + -DPKG_ASPHERE=ON + -DPKG_BODY=ON + -DPKG_CLASS2=ON + -DPKG_COLLOID=ON + -DPKG_COMPRESS=ON + -DPKG_CORESHELL=ON + -DPKG_DIPOLE=ON + -DPKG_GRANULAR=ON + -DPKG_KSPACE=ON + -DFFT=FFTW3 + -DPKG_MANYBODY=ON + -DPKG_MC=ON + -DPKG_MEAM=ON + -DPKG_MISC=ON + -DPKG_MOLECULE=ON + -DPKG_PERI=ON + -DPKG_QEQ=ON + -DPKG_REAX=ON + -DPKG_REPLICA=ON + -DPKG_RIGID=ON + -DPKG_SHOCK=ON + -DPKG_SNAP=ON + -DPKG_SRD=ON + -DPKG_PYTHON=ON + -DPKG_MPIIO=$(usex mpi) + -DPKG_VORONOI=ON + -DPKG_USER-ATC=ON + -DPKG_USER-AWPMD=ON + -DPKG_USER-CGDNA=ON + -DPKG_USER-CGSDK=ON + -DPKG_USER-COLVARS=ON + -DPKG_USER-DIFFRACTION=ON + -DPKG_USER-DPD=ON + -DPKG_USER-DRUDE=ON + -DPKG_USER-EFF=ON + -DPKG_USER-FEP=ON + -DPKG_USER-H5MD=$(usex mpi) + -DPKG_USER-LB=$(usex mpi) + -DPKG_USER-MANIFOLD=ON + -DPKG_USER-MEAMC=ON + -DPKG_USER-MGPT=ON + -DPKG_USER-MISC=ON + -DPKG_USER-MOLFILE=ON + -DPKG_USER-NETCDF=$(usex netcdf) + -DPKG_USER-PHONON=ON + -DPKG_USER-QTB=ON + -DPKG_USER-REAXC=ON + -DPKG_USER-SMD=ON + -DPKG_USER-SMTBQ=ON + -DPKG_USER-SPH=ON + -DPKG_USER-TALLY=ON + ) + cmake-utils_src_configure +} + +src_install() { + cmake-utils_src_install + + # Install python script. + use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py + + if use examples; then + for d in examples bench; do + local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}" + insinto "${LAMMPS_EXAMPLES}" + doins -r "${S}"/../${d}/* + done + fi +} -- cgit v1.2.3