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commit: 9ec5a07446cdd2ab66a71b34e3d6815fd357bb47 |
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Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org> |
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AuthorDate: Wed Oct 28 19:30:02 2015 +0000 |
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Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org> |
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CommitDate: Wed Oct 28 19:30:02 2015 +0000 |
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URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=9ec5a074 |
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|
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sci-physics/lammps: Remove old versions |
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|
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Package-Manager: portage-2.2.20.1 |
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|
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sci-physics/lammps/Manifest | 3 - |
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sci-physics/lammps/lammps-20150818.ebuild | 267 ------------------------------ |
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sci-physics/lammps/lammps-20150821.ebuild | 267 ------------------------------ |
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sci-physics/lammps/lammps-20150829.ebuild | 267 ------------------------------ |
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4 files changed, 804 deletions(-) |
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|
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diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest |
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index 65e5628..6db6fd5 100644 |
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--- a/sci-physics/lammps/Manifest |
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+++ b/sci-physics/lammps/Manifest |
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@@ -2,13 +2,10 @@ DIST lammps-10Aug15.tar.gz 87890369 SHA256 450a765f94b70a6f38637854f1d7496dca98d |
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DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e03536b7bb355dac7a9e013ddf9b8 SHA512 a7804377a23f03f338bdaf443439dffcdc52293b4c45e6369b340a1107510fed0b8a198e3b5afcff2e04e109985b52ee62e7b28276697bae37ac6f783d1ab9f2 WHIRLPOOL 09f29cadf8b072d388abe45ec219341d2a14a6c9cc9e4010a0f7945e930e9984738f7837748d117ab95ca76ce0c8d9160fe88dcec17e8d21b81f385dec8f7005 |
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DIST lammps-11Sep15.tar.gz 87274144 SHA256 79a40bc395a9052345cf1c7caa8da69f6ec0603e0be09503b060c51672a9734f SHA512 a478470d6e90c870dad606649009c085451d3890632dfc05a84890ff9d69e8465eff52d4853b4dc4a82ebcb15074c8f2fd07bbde132404a01c1c5df0867ee3f2 WHIRLPOOL 21225df1baadd02dbdc9f0b7aea6a2323ac1a1ac177453b67d5387b87a711e505395d17efada9ca5d079d919842da69c6d41d9a3a6ec6375d8526c3ed32f8ad3 |
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DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1 |
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-DIST lammps-18Aug15.tar.gz 87893731 SHA256 513237934cda7c1e026f4983096fd53cb510fadee12c55b13b4735086155245a SHA512 5816509f5b988dbe74c9f40a9faa42b3bcf260388dfe70703a1544517acd3f868d3bc398fb4c2fa7713d24409075d44ad80b8e91a25a28db783c2605aff30977 WHIRLPOOL 7022f3aabadffdfa2ef4c8219589e46fba2572d9ed4b52591f6516a61d4895b39d637d88535ba83881db5d48661e34ca6ff2f22a6819dbec015af979721a0f53 |
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-DIST lammps-21Aug15.tar.gz 87096749 SHA256 46f68e7b61e50ab3e790c53cadd82fde7c7aa58aa73e8a3257f24facff2ed0a4 SHA512 b1dd90890c43a6cf55a57a61279dcc4c10fdedb4ad90f225a06c0e93eb139d30f2d56baa233c081b38adeeb0a8419a0315ccc4b0fa15c3ffbf7db626ca261e9d WHIRLPOOL a1d7d4ab30f9ecca3fd64216e729fef6fa1b3f7a6698b9eaf104bcbfa03a66862cd8c5882e94f73e841064d94bf030aaf569ebb457d89fbd345b391f9cee6822 |
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DIST lammps-22Oct15.tar.gz 87938562 SHA256 8376b52e8eef4d1c3628c15ff358ecf74303e308566f41fd055701f6af3b6484 SHA512 cbe61420cccd11cd444423214802dfd2d1b2b1b28511a53dbf22e993fa3592404e8dda29fcb7bcd4e6e2d1e2251ddc6f020d48bafa66c8fceaa27d4af2e21640 WHIRLPOOL 11d09b18ff742d6ac4fcb400df93d7ac29144ee554f7241e58da80d039a99ef23b4b81709170ed12215693de97b6b48c9a6967d7d0539fd7f2f172a1e0a83661 |
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DIST lammps-23Oct15.tar.gz 87933918 SHA256 3500cdeb22344c7f3a040834a232d6c5ddb9f601820794441fcc24dadedc49b6 SHA512 a26d214b3e7c47d63cf00a364753a829d1c8f0cf4f8b73e829a4463650303d6905b6c942df5890387413b44496c8615b286296b34df9181e54806bb2f361b39a WHIRLPOOL 9a2d6e8fb57f1af2969345d9b250ed1244d2e40c97d5e2994c0ef6225ca265b490809848faa7cdc29a3eaa7c51a6223320039863f6c382a1a51da6f474e52088 |
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DIST lammps-24Sep15.tar.gz 87307191 SHA256 e03cdeb2b3b6107d98969febea26575c85590603ab4f79d26efc46bac6d6cc60 SHA512 356dd556f845cec456865062375120c0898cef1870617d80b31b0e8e964585140120b21f891cd9b40ecde7aaf43beb34d7b15396830e08273624a9b14da551e4 WHIRLPOOL 667b8aaf927d268c569a192c835b7dbdc80a0f25abb1f2c96007517ea218a69b2816dde4ebe28ca82974d01472c0e1126b67e89a19fb3ef49e4020f3d9c69fba |
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DIST lammps-26Oct15.tar.gz 89265403 SHA256 c69356b3056881cbbb7eb659eb9cd4fc9d86e7f010502fe47c91ed865cbabea7 SHA512 738cd9fb7b11cb1e7304814ac4463d534f0a5dda1c70cc483d3c19b038c15cd61a2c03c6972cccc69afbe42d88bf01ef33d0972bba9516a840026891fc3f144a WHIRLPOOL c7c7882e32b026cdba0d5bceb1ecfa4127e77edeb9d567760e19d6103109fdf9cefe79a17fd6e3291d04347984cfdb1a999136ead0be20f0173a73e53f106d95 |
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-DIST lammps-29Aug15.tar.gz 87253305 SHA256 fff69b47c40936d4ccd90a8443ce5bb1bcf4cb449ae06a5822c1b11a2ab2dd67 SHA512 991c56608a3288ebdcd2fb0857c595d42047b5ed0780b6d4ddb98388627499727b6c04fe0eff3e7221238dba2a8601f0b4b4067b5aa5ec2f356b4ee13f6c129c WHIRLPOOL 88da74fa65aeb187330439417512d516fe8adf4a5df4be48fdafafa198e8c4d657ecce7f04f749d77cb2f8a7881ac47f4604cf6bc8eb3ca8b2cbc7988d866a87 |
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DIST lammps-4Sep15.tar.gz 87259558 SHA256 8652c801e4ce8b6b7d42a6c71f76b68a6e741dc8efb8d7d3dad36b624fe8f150 SHA512 ee730c8bd96e14931192a68c12e4ebde301cc3525b20816d051059f155b70c6edcea7dc2ed911e0b89685d751cd5a74b4bb5eedd6c16a042a2191bf8a9665fc9 WHIRLPOOL 271ac0d74e03d3e3e118a8b2385d98ce3f566ead67f1c329a219c265f886dc267b11be17c2caa52749ebac212bbc7456fba2d0d6ec69cd25815316e601b3360a |
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DIST lammps-5Oct15.tar.gz 88451532 SHA256 a76f92ae05b99f9257abf7d79d9365c5743fa5a16b941a5e40f74036c5879211 SHA512 e0a034778cd5e3b9a27c9fc6257f1f7a6a9161732cd83bac2c4b0f82c39d5a6a385bb4640322478bfbe9467afb28b998cd19108b3d4a21e369b80c39a486e065 WHIRLPOOL 291e7820d4736421aeda9a1295854bd7b52d8ca3f14900e9394373410ee5db02ad6ab53991cf4dc8e73328b24fa44659d10693aca7cb48301227299ad622ce31 |
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DIST lammps-9Sep15.tar.gz 87275742 SHA256 c783be8bf2c2fbef75522b09b4420006d94104f2a60b82f55f7bc255c6163079 SHA512 60fa8c818c72c3c236095c7aa23c2ec30cc3370b6dc14d0c1d9e347772e70c96dab43019092eb93f2327377f1b4cc642416be65d156b1faf934bfa805d228bcf WHIRLPOOL 4a9dbb0f1b493177614646dcef124c723a3b6171d0894fee8b34e9fff7d0962ada0a2a27564338fef6551aaff322f4b50784b98c250555173cba5478cc60e9af |
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|
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diff --git a/sci-physics/lammps/lammps-20150818.ebuild b/sci-physics/lammps/lammps-20150818.ebuild |
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deleted file mode 100644 |
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index 1a244c8..0000000 |
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--- a/sci-physics/lammps/lammps-20150818.ebuild |
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+++ /dev/null |
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@@ -1,267 +0,0 @@ |
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-# Copyright 1999-2015 Gentoo Foundation |
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-# Distributed under the terms of the GNU General Public License v2 |
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-# $Id$ |
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- |
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-EAPI=5 |
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- |
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-PYTHON_COMPAT=( python{2_7,3_3} ) |
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- |
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-inherit eutils flag-o-matic fortran-2 multilib python-r1 |
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- |
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-convert_month() { |
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- case $1 in |
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- 01) echo Jan |
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- ;; |
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- 02) echo Feb |
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- ;; |
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- 03) echo Mar |
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- ;; |
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- 04) echo Apr |
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- ;; |
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- 05) echo May |
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- ;; |
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- 06) echo Jun |
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- ;; |
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- 07) echo Jul |
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- ;; |
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- 08) echo Aug |
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- ;; |
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- 09) echo Sep |
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- ;; |
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- 10) echo Oct |
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- ;; |
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- 11) echo Nov |
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- ;; |
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- 12) echo Dec |
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- ;; |
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- *) echo unknown |
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- ;; |
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- esac |
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-} |
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- |
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-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} |
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- |
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-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" |
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-HOMEPAGE="http://lammps.sandia.gov/" |
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-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz" |
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- |
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-LICENSE="GPL-2" |
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-SLOT="0" |
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-KEYWORDS="~amd64 ~x86" |
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-IUSE="doc examples gzip lammps-memalign mpi python static-libs" |
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- |
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-DEPEND=" |
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- mpi? ( |
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- virtual/blas |
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- virtual/lapack |
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- virtual/mpi |
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- ) |
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- gzip? ( app-arch/gzip ) |
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- sci-libs/voro++ |
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- python? ( ${PYTHON_DEPS} ) |
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- " |
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-RDEPEND="${DEPEND}" |
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- |
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-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" |
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- |
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-S="${WORKDIR}/${MY_P}" |
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- |
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-lmp_emake() { |
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- local LAMMPS_INCLUDEFLAGS |
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- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" |
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- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" |
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- |
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- # The lammps makefile uses CC to indicate the C++ compiler. |
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- emake \ |
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- ARCHIVE=$(tc-getAR) \ |
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- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \ |
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- F90=$(usex mpi "mpif90" "$(tc-getFC)") \ |
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- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \ |
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- CCFLAGS="${CXXFLAGS}" \ |
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- F90FLAGS="${FCFLAGS}" \ |
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- LINKFLAGS="${LDFLAGS}" \ |
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- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ |
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- MPI_INC=$(usex mpi "" "-I../STUBS") \ |
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- MPI_PATH=$(usex mpi "" "-L../STUBS") \ |
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- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \ |
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- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ |
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- "$@" |
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-} |
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- |
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-lmp_activate_packages() { |
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- # Build packages |
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- lmp_emake -C src yes-asphere |
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- lmp_emake -C src yes-body |
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- lmp_emake -C src yes-class2 |
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- lmp_emake -C src yes-colloid |
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- lmp_emake -C src yes-coreshell |
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- lmp_emake -C src yes-dipole |
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- lmp_emake -C src yes-fld |
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- #lmp_emake -C src yes-gpu |
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- lmp_emake -C src yes-granular |
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- # Need OpenKIM external dependency. |
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- #lmp_emake -C src yes-kim |
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- # Need Kokkos external dependency. |
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- #lmp_emake -C src yes-kokkos |
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- lmp_emake -C src yes-kspace |
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- lmp_emake -C src yes-manybody |
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- lmp_emake -C src yes-mc |
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- lmp_emake -C src yes-meam |
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- lmp_emake -C src yes-misc |
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- lmp_emake -C src yes-molecule |
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- #lmp_emake -C src yes-mpiio |
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- lmp_emake -C src yes-opt |
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- lmp_emake -C src yes-peri |
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- lmp_emake -C src yes-poems |
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- lmp_emake -C src yes-qeq |
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- lmp_emake -C src yes-reax |
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- lmp_emake -C src yes-replica |
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- lmp_emake -C src yes-rigid |
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- lmp_emake -C src yes-shock |
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- lmp_emake -C src yes-snap |
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- lmp_emake -C src yes-srd |
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- lmp_emake -C src yes-voronoi |
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- lmp_emake -C src yes-xtc |
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- |
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- if use mpi; then |
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- lmp_emake -C src yes-user-atc |
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- fi |
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- lmp_emake -C src yes-user-eff |
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- lmp_emake -C src yes-user-fep |
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- use mpi && lmp_emake -C src yes-user-lb |
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- lmp_emake -C src yes-user-phonon |
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- lmp_emake -C src yes-user-sph |
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-} |
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- |
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-lmp_build_packages() { |
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- lmp_emake -C lib/meam -j1 -f Makefile.gfortran |
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- lmp_emake -C lib/poems -f Makefile.g++ |
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- lmp_emake -C lib/reax -j1 -f Makefile.gfortran |
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- use mpi && lmp_emake -C lib/atc -f Makefile.g++ |
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-} |
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- |
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-lmp_clean_packages() { |
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- lmp_emake -C lib/meam -f Makefile.gfortran clean |
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- lmp_emake -C lib/poems -f Makefile.g++ clean |
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- lmp_emake -C lib/reax -f Makefile.gfortran clean |
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- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean |
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-} |
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- |
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-src_prepare() { |
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- # Fix inconsistent use of SHFLAGS. |
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- sed -i \ |
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- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ |
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- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ |
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- lib/voronoi/Makefile.lammps || die |
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- |
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- # Fix missing .so name. |
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- sed -i \ |
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- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ |
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- src/MAKE/Makefile.serial || die |
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- |
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- # Fix makefile in tools. |
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- sed -i \ |
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- -e 's:g++:$(CXX) $(CXXFLAGS):' \ |
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- -e 's:gcc:$(CC) $(CCFLAGS):' \ |
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- -e 's:ifort:$(FC) $(FCFLAGS):' \ |
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- tools/Makefile || die |
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- |
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- # Patch python. |
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- epatch "${FILESDIR}/lammps-python3.patch" |
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- epatch "${FILESDIR}/python-shebang.patch" |
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-} |
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- |
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-src_compile() { |
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- # Fix atc... |
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- append-cxxflags -I../../src |
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- |
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- # Acticate packages. |
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- elog "Activating lammps packages..." |
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- lmp_activate_packages |
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- |
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- # Compile stubs for serial version. |
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- use mpi || lmp_emake -C src mpi-stubs |
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- |
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- elog "Building packages..." |
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- lmp_build_packages |
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- |
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- if use static-libs; then |
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- # Build static library. |
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- elog "Building static library..." |
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- lmp_emake -C src mode=lib serial |
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- fi |
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- |
236 |
- # Clean out packages (that's not done by the build system with the clean |
237 |
- # target), so we can rebuild the packages with -fPIC. |
238 |
- elog "Cleaning packages..." |
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- lmp_clean_packages |
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- |
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- # The build system does not rebuild the packages with -fPIC, adding flag |
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- # manually. |
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- append-cxxflags -fPIC |
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- append-fflags -fPIC |
245 |
- |
246 |
- # Compile stubs for serial version. |
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- use mpi || lmp_emake -C src mpi-stubs |
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- |
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- elog "Building packages..." |
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- lmp_build_packages |
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- |
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- # Build shared library. |
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- elog "Building shared library..." |
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- lmp_emake -C src mode=shlib serial |
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- |
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- # Compile main executable. The shared library is always built, and |
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- # mode=shexe is simply a way to re-use the object files built in the |
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- # "shlib" step when linking the executable. The executable is not actually |
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- # using the shared library. If we have built the static library, then we |
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- # link that into the executable. |
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- elog "Linking executable..." |
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- if use static-libs; then |
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- lmp_emake -C src mode=exe serial |
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- else |
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- lmp_emake -C src mode=shexe serial |
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- fi |
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- |
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- # Compile tools. |
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- elog "Building tools..." |
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- lmp_emake -C tools binary2txt chain data2xmovie micelle2d |
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-} |
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- |
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-src_install() { |
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- use static-libs && newlib.a src/liblammps_serial.a liblammps.a |
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- newlib.so src/liblammps_serial.so liblammps.so.0.0.0 |
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- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so |
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- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 |
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- newbin src/lmp_serial lmp |
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- dobin tools/binary2txt |
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- dobin tools/chain |
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- dobin tools/data2xmovie |
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- dobin tools/micelle2d |
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- # Don't forget to add header files of optional packages as they are added |
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- # to this ebuild. There may also be .mod files from Fortran based |
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- # packages. |
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- insinto "/usr/include/${PN}" |
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- doins -r src/*.h lib/meam/*.mod |
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- |
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- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" |
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- insinto "/${LAMMPS_POTENTIALS}" |
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- doins potentials/* |
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- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps |
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- doenvd 99lammps |
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- |
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- # Install python script. |
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- use python && python_foreach_impl python_domodule python/lammps.py |
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- |
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- if use examples; then |
299 |
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" |
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- insinto "${LAMMPS_EXAMPLES}" |
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- doins -r examples/* |
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- fi |
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- |
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- dodoc README |
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- if use doc; then |
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- dodoc doc/Manual.pdf |
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- dohtml -r doc/* |
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- fi |
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-} |
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|
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diff --git a/sci-physics/lammps/lammps-20150821.ebuild b/sci-physics/lammps/lammps-20150821.ebuild |
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deleted file mode 100644 |
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index 1a244c8..0000000 |
314 |
--- a/sci-physics/lammps/lammps-20150821.ebuild |
315 |
+++ /dev/null |
316 |
@@ -1,267 +0,0 @@ |
317 |
-# Copyright 1999-2015 Gentoo Foundation |
318 |
-# Distributed under the terms of the GNU General Public License v2 |
319 |
-# $Id$ |
320 |
- |
321 |
-EAPI=5 |
322 |
- |
323 |
-PYTHON_COMPAT=( python{2_7,3_3} ) |
324 |
- |
325 |
-inherit eutils flag-o-matic fortran-2 multilib python-r1 |
326 |
- |
327 |
-convert_month() { |
328 |
- case $1 in |
329 |
- 01) echo Jan |
330 |
- ;; |
331 |
- 02) echo Feb |
332 |
- ;; |
333 |
- 03) echo Mar |
334 |
- ;; |
335 |
- 04) echo Apr |
336 |
- ;; |
337 |
- 05) echo May |
338 |
- ;; |
339 |
- 06) echo Jun |
340 |
- ;; |
341 |
- 07) echo Jul |
342 |
- ;; |
343 |
- 08) echo Aug |
344 |
- ;; |
345 |
- 09) echo Sep |
346 |
- ;; |
347 |
- 10) echo Oct |
348 |
- ;; |
349 |
- 11) echo Nov |
350 |
- ;; |
351 |
- 12) echo Dec |
352 |
- ;; |
353 |
- *) echo unknown |
354 |
- ;; |
355 |
- esac |
356 |
-} |
357 |
- |
358 |
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} |
359 |
- |
360 |
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" |
361 |
-HOMEPAGE="http://lammps.sandia.gov/" |
362 |
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz" |
363 |
- |
364 |
-LICENSE="GPL-2" |
365 |
-SLOT="0" |
366 |
-KEYWORDS="~amd64 ~x86" |
367 |
-IUSE="doc examples gzip lammps-memalign mpi python static-libs" |
368 |
- |
369 |
-DEPEND=" |
370 |
- mpi? ( |
371 |
- virtual/blas |
372 |
- virtual/lapack |
373 |
- virtual/mpi |
374 |
- ) |
375 |
- gzip? ( app-arch/gzip ) |
376 |
- sci-libs/voro++ |
377 |
- python? ( ${PYTHON_DEPS} ) |
378 |
- " |
379 |
-RDEPEND="${DEPEND}" |
380 |
- |
381 |
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" |
382 |
- |
383 |
-S="${WORKDIR}/${MY_P}" |
384 |
- |
385 |
-lmp_emake() { |
386 |
- local LAMMPS_INCLUDEFLAGS |
387 |
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" |
388 |
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" |
389 |
- |
390 |
- # The lammps makefile uses CC to indicate the C++ compiler. |
391 |
- emake \ |
392 |
- ARCHIVE=$(tc-getAR) \ |
393 |
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \ |
394 |
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \ |
395 |
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \ |
396 |
- CCFLAGS="${CXXFLAGS}" \ |
397 |
- F90FLAGS="${FCFLAGS}" \ |
398 |
- LINKFLAGS="${LDFLAGS}" \ |
399 |
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ |
400 |
- MPI_INC=$(usex mpi "" "-I../STUBS") \ |
401 |
- MPI_PATH=$(usex mpi "" "-L../STUBS") \ |
402 |
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \ |
403 |
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ |
404 |
- "$@" |
405 |
-} |
406 |
- |
407 |
-lmp_activate_packages() { |
408 |
- # Build packages |
409 |
- lmp_emake -C src yes-asphere |
410 |
- lmp_emake -C src yes-body |
411 |
- lmp_emake -C src yes-class2 |
412 |
- lmp_emake -C src yes-colloid |
413 |
- lmp_emake -C src yes-coreshell |
414 |
- lmp_emake -C src yes-dipole |
415 |
- lmp_emake -C src yes-fld |
416 |
- #lmp_emake -C src yes-gpu |
417 |
- lmp_emake -C src yes-granular |
418 |
- # Need OpenKIM external dependency. |
419 |
- #lmp_emake -C src yes-kim |
420 |
- # Need Kokkos external dependency. |
421 |
- #lmp_emake -C src yes-kokkos |
422 |
- lmp_emake -C src yes-kspace |
423 |
- lmp_emake -C src yes-manybody |
424 |
- lmp_emake -C src yes-mc |
425 |
- lmp_emake -C src yes-meam |
426 |
- lmp_emake -C src yes-misc |
427 |
- lmp_emake -C src yes-molecule |
428 |
- #lmp_emake -C src yes-mpiio |
429 |
- lmp_emake -C src yes-opt |
430 |
- lmp_emake -C src yes-peri |
431 |
- lmp_emake -C src yes-poems |
432 |
- lmp_emake -C src yes-qeq |
433 |
- lmp_emake -C src yes-reax |
434 |
- lmp_emake -C src yes-replica |
435 |
- lmp_emake -C src yes-rigid |
436 |
- lmp_emake -C src yes-shock |
437 |
- lmp_emake -C src yes-snap |
438 |
- lmp_emake -C src yes-srd |
439 |
- lmp_emake -C src yes-voronoi |
440 |
- lmp_emake -C src yes-xtc |
441 |
- |
442 |
- if use mpi; then |
443 |
- lmp_emake -C src yes-user-atc |
444 |
- fi |
445 |
- lmp_emake -C src yes-user-eff |
446 |
- lmp_emake -C src yes-user-fep |
447 |
- use mpi && lmp_emake -C src yes-user-lb |
448 |
- lmp_emake -C src yes-user-phonon |
449 |
- lmp_emake -C src yes-user-sph |
450 |
-} |
451 |
- |
452 |
-lmp_build_packages() { |
453 |
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran |
454 |
- lmp_emake -C lib/poems -f Makefile.g++ |
455 |
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran |
456 |
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ |
457 |
-} |
458 |
- |
459 |
-lmp_clean_packages() { |
460 |
- lmp_emake -C lib/meam -f Makefile.gfortran clean |
461 |
- lmp_emake -C lib/poems -f Makefile.g++ clean |
462 |
- lmp_emake -C lib/reax -f Makefile.gfortran clean |
463 |
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean |
464 |
-} |
465 |
- |
466 |
-src_prepare() { |
467 |
- # Fix inconsistent use of SHFLAGS. |
468 |
- sed -i \ |
469 |
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ |
470 |
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ |
471 |
- lib/voronoi/Makefile.lammps || die |
472 |
- |
473 |
- # Fix missing .so name. |
474 |
- sed -i \ |
475 |
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ |
476 |
- src/MAKE/Makefile.serial || die |
477 |
- |
478 |
- # Fix makefile in tools. |
479 |
- sed -i \ |
480 |
- -e 's:g++:$(CXX) $(CXXFLAGS):' \ |
481 |
- -e 's:gcc:$(CC) $(CCFLAGS):' \ |
482 |
- -e 's:ifort:$(FC) $(FCFLAGS):' \ |
483 |
- tools/Makefile || die |
484 |
- |
485 |
- # Patch python. |
486 |
- epatch "${FILESDIR}/lammps-python3.patch" |
487 |
- epatch "${FILESDIR}/python-shebang.patch" |
488 |
-} |
489 |
- |
490 |
-src_compile() { |
491 |
- # Fix atc... |
492 |
- append-cxxflags -I../../src |
493 |
- |
494 |
- # Acticate packages. |
495 |
- elog "Activating lammps packages..." |
496 |
- lmp_activate_packages |
497 |
- |
498 |
- # Compile stubs for serial version. |
499 |
- use mpi || lmp_emake -C src mpi-stubs |
500 |
- |
501 |
- elog "Building packages..." |
502 |
- lmp_build_packages |
503 |
- |
504 |
- if use static-libs; then |
505 |
- # Build static library. |
506 |
- elog "Building static library..." |
507 |
- lmp_emake -C src mode=lib serial |
508 |
- fi |
509 |
- |
510 |
- # Clean out packages (that's not done by the build system with the clean |
511 |
- # target), so we can rebuild the packages with -fPIC. |
512 |
- elog "Cleaning packages..." |
513 |
- lmp_clean_packages |
514 |
- |
515 |
- # The build system does not rebuild the packages with -fPIC, adding flag |
516 |
- # manually. |
517 |
- append-cxxflags -fPIC |
518 |
- append-fflags -fPIC |
519 |
- |
520 |
- # Compile stubs for serial version. |
521 |
- use mpi || lmp_emake -C src mpi-stubs |
522 |
- |
523 |
- elog "Building packages..." |
524 |
- lmp_build_packages |
525 |
- |
526 |
- # Build shared library. |
527 |
- elog "Building shared library..." |
528 |
- lmp_emake -C src mode=shlib serial |
529 |
- |
530 |
- # Compile main executable. The shared library is always built, and |
531 |
- # mode=shexe is simply a way to re-use the object files built in the |
532 |
- # "shlib" step when linking the executable. The executable is not actually |
533 |
- # using the shared library. If we have built the static library, then we |
534 |
- # link that into the executable. |
535 |
- elog "Linking executable..." |
536 |
- if use static-libs; then |
537 |
- lmp_emake -C src mode=exe serial |
538 |
- else |
539 |
- lmp_emake -C src mode=shexe serial |
540 |
- fi |
541 |
- |
542 |
- # Compile tools. |
543 |
- elog "Building tools..." |
544 |
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d |
545 |
-} |
546 |
- |
547 |
-src_install() { |
548 |
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a |
549 |
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0 |
550 |
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so |
551 |
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 |
552 |
- newbin src/lmp_serial lmp |
553 |
- dobin tools/binary2txt |
554 |
- dobin tools/chain |
555 |
- dobin tools/data2xmovie |
556 |
- dobin tools/micelle2d |
557 |
- # Don't forget to add header files of optional packages as they are added |
558 |
- # to this ebuild. There may also be .mod files from Fortran based |
559 |
- # packages. |
560 |
- insinto "/usr/include/${PN}" |
561 |
- doins -r src/*.h lib/meam/*.mod |
562 |
- |
563 |
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" |
564 |
- insinto "/${LAMMPS_POTENTIALS}" |
565 |
- doins potentials/* |
566 |
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps |
567 |
- doenvd 99lammps |
568 |
- |
569 |
- # Install python script. |
570 |
- use python && python_foreach_impl python_domodule python/lammps.py |
571 |
- |
572 |
- if use examples; then |
573 |
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" |
574 |
- insinto "${LAMMPS_EXAMPLES}" |
575 |
- doins -r examples/* |
576 |
- fi |
577 |
- |
578 |
- dodoc README |
579 |
- if use doc; then |
580 |
- dodoc doc/Manual.pdf |
581 |
- dohtml -r doc/* |
582 |
- fi |
583 |
-} |
584 |
|
585 |
diff --git a/sci-physics/lammps/lammps-20150829.ebuild b/sci-physics/lammps/lammps-20150829.ebuild |
586 |
deleted file mode 100644 |
587 |
index 1a244c8..0000000 |
588 |
--- a/sci-physics/lammps/lammps-20150829.ebuild |
589 |
+++ /dev/null |
590 |
@@ -1,267 +0,0 @@ |
591 |
-# Copyright 1999-2015 Gentoo Foundation |
592 |
-# Distributed under the terms of the GNU General Public License v2 |
593 |
-# $Id$ |
594 |
- |
595 |
-EAPI=5 |
596 |
- |
597 |
-PYTHON_COMPAT=( python{2_7,3_3} ) |
598 |
- |
599 |
-inherit eutils flag-o-matic fortran-2 multilib python-r1 |
600 |
- |
601 |
-convert_month() { |
602 |
- case $1 in |
603 |
- 01) echo Jan |
604 |
- ;; |
605 |
- 02) echo Feb |
606 |
- ;; |
607 |
- 03) echo Mar |
608 |
- ;; |
609 |
- 04) echo Apr |
610 |
- ;; |
611 |
- 05) echo May |
612 |
- ;; |
613 |
- 06) echo Jun |
614 |
- ;; |
615 |
- 07) echo Jul |
616 |
- ;; |
617 |
- 08) echo Aug |
618 |
- ;; |
619 |
- 09) echo Sep |
620 |
- ;; |
621 |
- 10) echo Oct |
622 |
- ;; |
623 |
- 11) echo Nov |
624 |
- ;; |
625 |
- 12) echo Dec |
626 |
- ;; |
627 |
- *) echo unknown |
628 |
- ;; |
629 |
- esac |
630 |
-} |
631 |
- |
632 |
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} |
633 |
- |
634 |
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" |
635 |
-HOMEPAGE="http://lammps.sandia.gov/" |
636 |
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz" |
637 |
- |
638 |
-LICENSE="GPL-2" |
639 |
-SLOT="0" |
640 |
-KEYWORDS="~amd64 ~x86" |
641 |
-IUSE="doc examples gzip lammps-memalign mpi python static-libs" |
642 |
- |
643 |
-DEPEND=" |
644 |
- mpi? ( |
645 |
- virtual/blas |
646 |
- virtual/lapack |
647 |
- virtual/mpi |
648 |
- ) |
649 |
- gzip? ( app-arch/gzip ) |
650 |
- sci-libs/voro++ |
651 |
- python? ( ${PYTHON_DEPS} ) |
652 |
- " |
653 |
-RDEPEND="${DEPEND}" |
654 |
- |
655 |
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" |
656 |
- |
657 |
-S="${WORKDIR}/${MY_P}" |
658 |
- |
659 |
-lmp_emake() { |
660 |
- local LAMMPS_INCLUDEFLAGS |
661 |
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" |
662 |
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')" |
663 |
- |
664 |
- # The lammps makefile uses CC to indicate the C++ compiler. |
665 |
- emake \ |
666 |
- ARCHIVE=$(tc-getAR) \ |
667 |
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \ |
668 |
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \ |
669 |
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \ |
670 |
- CCFLAGS="${CXXFLAGS}" \ |
671 |
- F90FLAGS="${FCFLAGS}" \ |
672 |
- LINKFLAGS="${LDFLAGS}" \ |
673 |
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ |
674 |
- MPI_INC=$(usex mpi "" "-I../STUBS") \ |
675 |
- MPI_PATH=$(usex mpi "" "-L../STUBS") \ |
676 |
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \ |
677 |
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ |
678 |
- "$@" |
679 |
-} |
680 |
- |
681 |
-lmp_activate_packages() { |
682 |
- # Build packages |
683 |
- lmp_emake -C src yes-asphere |
684 |
- lmp_emake -C src yes-body |
685 |
- lmp_emake -C src yes-class2 |
686 |
- lmp_emake -C src yes-colloid |
687 |
- lmp_emake -C src yes-coreshell |
688 |
- lmp_emake -C src yes-dipole |
689 |
- lmp_emake -C src yes-fld |
690 |
- #lmp_emake -C src yes-gpu |
691 |
- lmp_emake -C src yes-granular |
692 |
- # Need OpenKIM external dependency. |
693 |
- #lmp_emake -C src yes-kim |
694 |
- # Need Kokkos external dependency. |
695 |
- #lmp_emake -C src yes-kokkos |
696 |
- lmp_emake -C src yes-kspace |
697 |
- lmp_emake -C src yes-manybody |
698 |
- lmp_emake -C src yes-mc |
699 |
- lmp_emake -C src yes-meam |
700 |
- lmp_emake -C src yes-misc |
701 |
- lmp_emake -C src yes-molecule |
702 |
- #lmp_emake -C src yes-mpiio |
703 |
- lmp_emake -C src yes-opt |
704 |
- lmp_emake -C src yes-peri |
705 |
- lmp_emake -C src yes-poems |
706 |
- lmp_emake -C src yes-qeq |
707 |
- lmp_emake -C src yes-reax |
708 |
- lmp_emake -C src yes-replica |
709 |
- lmp_emake -C src yes-rigid |
710 |
- lmp_emake -C src yes-shock |
711 |
- lmp_emake -C src yes-snap |
712 |
- lmp_emake -C src yes-srd |
713 |
- lmp_emake -C src yes-voronoi |
714 |
- lmp_emake -C src yes-xtc |
715 |
- |
716 |
- if use mpi; then |
717 |
- lmp_emake -C src yes-user-atc |
718 |
- fi |
719 |
- lmp_emake -C src yes-user-eff |
720 |
- lmp_emake -C src yes-user-fep |
721 |
- use mpi && lmp_emake -C src yes-user-lb |
722 |
- lmp_emake -C src yes-user-phonon |
723 |
- lmp_emake -C src yes-user-sph |
724 |
-} |
725 |
- |
726 |
-lmp_build_packages() { |
727 |
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran |
728 |
- lmp_emake -C lib/poems -f Makefile.g++ |
729 |
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran |
730 |
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ |
731 |
-} |
732 |
- |
733 |
-lmp_clean_packages() { |
734 |
- lmp_emake -C lib/meam -f Makefile.gfortran clean |
735 |
- lmp_emake -C lib/poems -f Makefile.g++ clean |
736 |
- lmp_emake -C lib/reax -f Makefile.gfortran clean |
737 |
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean |
738 |
-} |
739 |
- |
740 |
-src_prepare() { |
741 |
- # Fix inconsistent use of SHFLAGS. |
742 |
- sed -i \ |
743 |
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ |
744 |
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ |
745 |
- lib/voronoi/Makefile.lammps || die |
746 |
- |
747 |
- # Fix missing .so name. |
748 |
- sed -i \ |
749 |
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ |
750 |
- src/MAKE/Makefile.serial || die |
751 |
- |
752 |
- # Fix makefile in tools. |
753 |
- sed -i \ |
754 |
- -e 's:g++:$(CXX) $(CXXFLAGS):' \ |
755 |
- -e 's:gcc:$(CC) $(CCFLAGS):' \ |
756 |
- -e 's:ifort:$(FC) $(FCFLAGS):' \ |
757 |
- tools/Makefile || die |
758 |
- |
759 |
- # Patch python. |
760 |
- epatch "${FILESDIR}/lammps-python3.patch" |
761 |
- epatch "${FILESDIR}/python-shebang.patch" |
762 |
-} |
763 |
- |
764 |
-src_compile() { |
765 |
- # Fix atc... |
766 |
- append-cxxflags -I../../src |
767 |
- |
768 |
- # Acticate packages. |
769 |
- elog "Activating lammps packages..." |
770 |
- lmp_activate_packages |
771 |
- |
772 |
- # Compile stubs for serial version. |
773 |
- use mpi || lmp_emake -C src mpi-stubs |
774 |
- |
775 |
- elog "Building packages..." |
776 |
- lmp_build_packages |
777 |
- |
778 |
- if use static-libs; then |
779 |
- # Build static library. |
780 |
- elog "Building static library..." |
781 |
- lmp_emake -C src mode=lib serial |
782 |
- fi |
783 |
- |
784 |
- # Clean out packages (that's not done by the build system with the clean |
785 |
- # target), so we can rebuild the packages with -fPIC. |
786 |
- elog "Cleaning packages..." |
787 |
- lmp_clean_packages |
788 |
- |
789 |
- # The build system does not rebuild the packages with -fPIC, adding flag |
790 |
- # manually. |
791 |
- append-cxxflags -fPIC |
792 |
- append-fflags -fPIC |
793 |
- |
794 |
- # Compile stubs for serial version. |
795 |
- use mpi || lmp_emake -C src mpi-stubs |
796 |
- |
797 |
- elog "Building packages..." |
798 |
- lmp_build_packages |
799 |
- |
800 |
- # Build shared library. |
801 |
- elog "Building shared library..." |
802 |
- lmp_emake -C src mode=shlib serial |
803 |
- |
804 |
- # Compile main executable. The shared library is always built, and |
805 |
- # mode=shexe is simply a way to re-use the object files built in the |
806 |
- # "shlib" step when linking the executable. The executable is not actually |
807 |
- # using the shared library. If we have built the static library, then we |
808 |
- # link that into the executable. |
809 |
- elog "Linking executable..." |
810 |
- if use static-libs; then |
811 |
- lmp_emake -C src mode=exe serial |
812 |
- else |
813 |
- lmp_emake -C src mode=shexe serial |
814 |
- fi |
815 |
- |
816 |
- # Compile tools. |
817 |
- elog "Building tools..." |
818 |
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d |
819 |
-} |
820 |
- |
821 |
-src_install() { |
822 |
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a |
823 |
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0 |
824 |
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so |
825 |
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 |
826 |
- newbin src/lmp_serial lmp |
827 |
- dobin tools/binary2txt |
828 |
- dobin tools/chain |
829 |
- dobin tools/data2xmovie |
830 |
- dobin tools/micelle2d |
831 |
- # Don't forget to add header files of optional packages as they are added |
832 |
- # to this ebuild. There may also be .mod files from Fortran based |
833 |
- # packages. |
834 |
- insinto "/usr/include/${PN}" |
835 |
- doins -r src/*.h lib/meam/*.mod |
836 |
- |
837 |
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" |
838 |
- insinto "/${LAMMPS_POTENTIALS}" |
839 |
- doins potentials/* |
840 |
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps |
841 |
- doenvd 99lammps |
842 |
- |
843 |
- # Install python script. |
844 |
- use python && python_foreach_impl python_domodule python/lammps.py |
845 |
- |
846 |
- if use examples; then |
847 |
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" |
848 |
- insinto "${LAMMPS_EXAMPLES}" |
849 |
- doins -r examples/* |
850 |
- fi |
851 |
- |
852 |
- dodoc README |
853 |
- if use doc; then |
854 |
- dodoc doc/Manual.pdf |
855 |
- dohtml -r doc/* |
856 |
- fi |
857 |
-} |