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authorNicolas Bock <nicolasbock@gentoo.org>2016-04-15 11:58:41 +0200
committerNicolas Bock <nicolasbock@gentoo.org>2016-04-15 11:59:02 +0200
commit9cf0b6608033ac80c3b5c4de023e7286b85a3a6a (patch)
tree63e3c22d2278be38330406c781081300ec9d5aaf /sci-physics
parentapp-emulation/docker-compose: version bump to 1.7.0 (diff)
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sci-physics/lammps: Cleanup, removing old versions
Package-Manager: portage-2.2.26
Diffstat (limited to 'sci-physics')
-rw-r--r--sci-physics/lammps/Manifest9
-rw-r--r--sci-physics/lammps/lammps-20150904.ebuild267
-rw-r--r--sci-physics/lammps/lammps-20150909.ebuild267
-rw-r--r--sci-physics/lammps/lammps-20150911.ebuild267
-rw-r--r--sci-physics/lammps/lammps-20150924.ebuild267
-rw-r--r--sci-physics/lammps/lammps-20151005.ebuild267
-rw-r--r--sci-physics/lammps/lammps-20151022.ebuild241
-rw-r--r--sci-physics/lammps/lammps-20151023.ebuild241
-rw-r--r--sci-physics/lammps/lammps-20151026.ebuild213
-rw-r--r--sci-physics/lammps/lammps-20151031.ebuild213
10 files changed, 0 insertions, 2252 deletions
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 116b59fb082..d8c9abc59b6 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -2,22 +2,13 @@ DIST lammps-10Aug15.tar.gz 87890369 SHA256 450a765f94b70a6f38637854f1d7496dca98d
DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e03536b7bb355dac7a9e013ddf9b8 SHA512 a7804377a23f03f338bdaf443439dffcdc52293b4c45e6369b340a1107510fed0b8a198e3b5afcff2e04e109985b52ee62e7b28276697bae37ac6f783d1ab9f2 WHIRLPOOL 09f29cadf8b072d388abe45ec219341d2a14a6c9cc9e4010a0f7945e930e9984738f7837748d117ab95ca76ce0c8d9160fe88dcec17e8d21b81f385dec8f7005
DIST lammps-10Mar16.tar.gz 88637744 SHA256 b40d79d4a8490a549dc46f259ce65095d75e78059b002083eb899825e802c1ac SHA512 b850c9f9826cd7f4db2d922c9ee1bc8302ea5cf92200f56e5aa834850f690ee8e17dca6e431651ccfded34bd79e2b8e50cfb2e7de3bd93359279f06bb8704424 WHIRLPOOL 283e74dd90454a79119ac9d69bc61ba44d0a23fd18455286faea5867f018e69d9ce593d06c6940e7e7f9f89cdaee7c83ff592a7a8816fdcab703c25a9c65f28b
DIST lammps-11Dec15.tar.gz 82386057 SHA256 f95cce2efa5f9d5649de22c19c96281f3af7b0f65a1f051a268131fe526542d9 SHA512 dce3c29811ee25b8404774b69d7e9746535bed5c4ae9a1c21aaf6979e411bb4b777ca95a4f788d16f6093785e074dbc5275c2d99b1c1d6a28aa0706069855a77 WHIRLPOOL a0b7fcf202745d22511ced803c8bc55b0487a8cdb2c32a0c9a121569a7e5641b072ccbcc70ef7a1529da736d6166d6d2afd80769fc84fc4f07af25b023710a57
-DIST lammps-11Sep15.tar.gz 87274144 SHA256 79a40bc395a9052345cf1c7caa8da69f6ec0603e0be09503b060c51672a9734f SHA512 a478470d6e90c870dad606649009c085451d3890632dfc05a84890ff9d69e8465eff52d4853b4dc4a82ebcb15074c8f2fd07bbde132404a01c1c5df0867ee3f2 WHIRLPOOL 21225df1baadd02dbdc9f0b7aea6a2323ac1a1ac177453b67d5387b87a711e505395d17efada9ca5d079d919842da69c6d41d9a3a6ec6375d8526c3ed32f8ad3
DIST lammps-14Mar16.tar.gz 88642225 SHA256 79b7f3e75d553a86c7bf3ffbb8305fd0fe92f6a57d634b983b6a31816a72dabb SHA512 5ba774165ea4957fc3f33c91b96ff7b5e2ab498b6979d7887d5e7dfd464e3c830edffcc341e93fc8dcdb89f3eadd683c0893d4a8d2664ad469aa79ddc39c21b7 WHIRLPOOL ecafe88e06839ce506dba86a30a8548fd6b5771155e4d4c9b42932573ad932854fdecff80299c62ab529d2cfd97147ed3bcdf7ffe034e266914b078ac8708510
DIST lammps-15Jan16.tar.gz 85956338 SHA256 e90816bf20622200f5037415e5c45a0f950f7407886121708b794b1e75b93c3a SHA512 7dc2043afba78ec8d61b5880b6123952b42e5076fe7e3c3855186215054bc28710b89fd5b015d495fcfe38d5970efd43f3e6e834e80f39b6305b551d39f5eeab WHIRLPOOL 13bd3f41047492035c24e11d47b36ec8565d226738be492159ba498827c79eab4a7ec7402e037820b635b0d8d4c56fbdedea482f2f93e370275d717c93bc281c
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
DIST lammps-1Mar16.tar.gz 87945422 SHA256 af2bd7ab2a28aa14b8afa3d8703cbaf27d924400e237bf44e9e2da091c0b91eb SHA512 25b59f840187053a9f47bc41f5d0b29a69ac507e05528fb3e84c2bb8facd90fff95e99cbd8707c8d087371355a2e1c5af1eb3e4115b788444af5d129e754fe9d WHIRLPOOL b45f4ca459a88770c6d194f609f55694bdb50b7a54cf57a34995e4d3f6f0b432f99fdd9c7187c8e614a98b31387bfcc259baa9218f2c3bb5e146991c3a113207
DIST lammps-20Nov15.tar.gz 90227651 SHA256 7c392c848e73335226b2fef6bb8034b1152f91862d955a3bae00502bf9d8e8fe SHA512 4bff70e45fb30be10a33b4c6c60b73cceddf8d42588b0630b4802f1e61dea3c237c01c3667585ad210ef2cdb811491b1b8495718a90bb57853c58245e29d1fe4 WHIRLPOOL a01f54911a5edb666ef5af5302cf60d61d58d20f2112578e4d7bd16787b2bf59da09e9fe7ffa021fb6a97db40b23301ed77010f48a05e5471742c0e71413b7e1
DIST lammps-22Jan16.tar.gz 85952234 SHA256 46425bf0ae73f716195a29dc9823c2c5989504f85b49a316bc304caaf6e6a674 SHA512 3ceeeaf76621bbc11ea25d5fb321b602b34ffb3893898a704b02e5cd428a36b2017006fdc1f7b1c5f957c33f26ca103a2939538ae7937555e0b25b5852cd48f3 WHIRLPOOL 7f61ea1924eceb190b7cf56ed32db75f6a45c99dbf1522862124f59acd1f79b1a46310d5e31a988011461a55c319677eaec2bf713e9a5cda0411b5d2280aa784
-DIST lammps-22Oct15.tar.gz 87938562 SHA256 8376b52e8eef4d1c3628c15ff358ecf74303e308566f41fd055701f6af3b6484 SHA512 cbe61420cccd11cd444423214802dfd2d1b2b1b28511a53dbf22e993fa3592404e8dda29fcb7bcd4e6e2d1e2251ddc6f020d48bafa66c8fceaa27d4af2e21640 WHIRLPOOL 11d09b18ff742d6ac4fcb400df93d7ac29144ee554f7241e58da80d039a99ef23b4b81709170ed12215693de97b6b48c9a6967d7d0539fd7f2f172a1e0a83661
-DIST lammps-23Oct15.tar.gz 87933918 SHA256 3500cdeb22344c7f3a040834a232d6c5ddb9f601820794441fcc24dadedc49b6 SHA512 a26d214b3e7c47d63cf00a364753a829d1c8f0cf4f8b73e829a4463650303d6905b6c942df5890387413b44496c8615b286296b34df9181e54806bb2f361b39a WHIRLPOOL 9a2d6e8fb57f1af2969345d9b250ed1244d2e40c97d5e2994c0ef6225ca265b490809848faa7cdc29a3eaa7c51a6223320039863f6c382a1a51da6f474e52088
-DIST lammps-24Sep15.tar.gz 87307191 SHA256 e03cdeb2b3b6107d98969febea26575c85590603ab4f79d26efc46bac6d6cc60 SHA512 356dd556f845cec456865062375120c0898cef1870617d80b31b0e8e964585140120b21f891cd9b40ecde7aaf43beb34d7b15396830e08273624a9b14da551e4 WHIRLPOOL 667b8aaf927d268c569a192c835b7dbdc80a0f25abb1f2c96007517ea218a69b2816dde4ebe28ca82974d01472c0e1126b67e89a19fb3ef49e4020f3d9c69fba
-DIST lammps-26Oct15.tar.gz 89265403 SHA256 c69356b3056881cbbb7eb659eb9cd4fc9d86e7f010502fe47c91ed865cbabea7 SHA512 738cd9fb7b11cb1e7304814ac4463d534f0a5dda1c70cc483d3c19b038c15cd61a2c03c6972cccc69afbe42d88bf01ef33d0972bba9516a840026891fc3f144a WHIRLPOOL c7c7882e32b026cdba0d5bceb1ecfa4127e77edeb9d567760e19d6103109fdf9cefe79a17fd6e3291d04347984cfdb1a999136ead0be20f0173a73e53f106d95
-DIST lammps-31Oct15.tar.gz 90163112 SHA256 c9f50531ddd720cc4aa469f74a8c528b91934bed9da1d165bfeaa14501beaf61 SHA512 10bd5c2868ad472f44379093ffbf4ef3ac9e65afde00ceafb13913f9253c568173b2abdd5401bbe761730f20412bb81a7e29c267b99527168eb1cfa99af20d17 WHIRLPOOL 654017e23ee6b367f9d8124cca4aeec4f2d0c21cedb8c76e0a74cea075750c6d7f51e873914d926eea6dbbe121faa0d003068c810d4ae201e431404edaba7858
-DIST lammps-4Sep15.tar.gz 87259558 SHA256 8652c801e4ce8b6b7d42a6c71f76b68a6e741dc8efb8d7d3dad36b624fe8f150 SHA512 ee730c8bd96e14931192a68c12e4ebde301cc3525b20816d051059f155b70c6edcea7dc2ed911e0b89685d751cd5a74b4bb5eedd6c16a042a2191bf8a9665fc9 WHIRLPOOL 271ac0d74e03d3e3e118a8b2385d98ce3f566ead67f1c329a219c265f886dc267b11be17c2caa52749ebac212bbc7456fba2d0d6ec69cd25815316e601b3360a
-DIST lammps-5Oct15.tar.gz 88451532 SHA256 a76f92ae05b99f9257abf7d79d9365c5743fa5a16b941a5e40f74036c5879211 SHA512 e0a034778cd5e3b9a27c9fc6257f1f7a6a9161732cd83bac2c4b0f82c39d5a6a385bb4640322478bfbe9467afb28b998cd19108b3d4a21e369b80c39a486e065 WHIRLPOOL 291e7820d4736421aeda9a1295854bd7b52d8ca3f14900e9394373410ee5db02ad6ab53991cf4dc8e73328b24fa44659d10693aca7cb48301227299ad622ce31
DIST lammps-6Nov15.tar.gz 90177074 SHA256 b908d87106e89aa813c3d1a2e89f297ab42471ee463ef950f87f284d62aa24ac SHA512 91f8e33a00b3605dbb78f622a19886c11ca8ef3f4babe74e8d8f90bb176d5689e75d619155f58e6754a2756d20c05b74389e34f024167cba1841b8aade171daf WHIRLPOOL 4541537ea73292648764d6c8a7560f3127b8f911f4dcff0a97735c8e75868dc3aec7c2b32a2928ea446e8cfec87c81c9f86a635d29f3a65f42fd27661725911e
DIST lammps-7Dec15.tar.gz 82168656 SHA256 7fa1bb1089437c0f38f8c6920286e2f8424e6449956b4d570da2954f507af1e7 SHA512 13078e7614402efc310a178506134409b40fb2768c4d7ee1cfa6992b247ef25169288ec99d4314b1a98125037d7c1c954bd114abc6ac41c58f60506358d150e2 WHIRLPOOL f9ba52c0c93ea6950b2ee7e0f5e15ebef6ea50f647d23cb2f9a1caf523d3dfb8d52adbdf8f8840eebd7f79fc59ab294310b7bf7109b27c6b7e9d6e7d2f18b7ee
DIST lammps-8Dec15.tar.gz 90700099 SHA256 1782a856dcba1696e6e921d891f259e525de750d7cf39ce9457a1992ee4db91f SHA512 0382683a363975bd27cc1722932cd5b8eda9933bc9c676af135d7e4d784acd93cf60b2b47a19dbb9e4a05e5cf2fbf6ccc2c2a914c39e92e87009e23ead2eb497 WHIRLPOOL dca88d8d55e96c20702856b2074d631ef8f6a0f6209672e612778209ad188c800a673e09605033851349b400241b1f7c8e5e05bad49519838abfe5fe44467c43
DIST lammps-9Dec15.tar.gz 82374079 SHA256 36f918174826a80f54e65779ec939e185e81c71f747cb1524e43c58b1869491a SHA512 a35ef5b3ee99162b96ce1a6d6cc3b0dc18bab7f693b824fc7ad52a7477234ed45c3081c399155725f1ebc3bd1bed312176f08d3fc807e7099d4b41b8f75fd11c WHIRLPOOL 045d817e6a2c74fa2f4a5eb337328d6d9183fcedca44a1e608c59bd83fd4086763ff4d6ebed3715ba23cbde04f1233ef3e4a8e3e964ff3af3744c70580b51d0b
-DIST lammps-9Sep15.tar.gz 87275742 SHA256 c783be8bf2c2fbef75522b09b4420006d94104f2a60b82f55f7bc255c6163079 SHA512 60fa8c818c72c3c236095c7aa23c2ec30cc3370b6dc14d0c1d9e347772e70c96dab43019092eb93f2327377f1b4cc642416be65d156b1faf934bfa805d228bcf WHIRLPOOL 4a9dbb0f1b493177614646dcef124c723a3b6171d0894fee8b34e9fff7d0962ada0a2a27564338fef6551aaff322f4b50784b98c250555173cba5478cc60e9af
diff --git a/sci-physics/lammps/lammps-20150904.ebuild b/sci-physics/lammps/lammps-20150904.ebuild
deleted file mode 100644
index 5400e87baef..00000000000
--- a/sci-physics/lammps/lammps-20150904.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-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="http://lammps.sandia.gov/"
-SRC_URI="http://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-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-20150909.ebuild b/sci-physics/lammps/lammps-20150909.ebuild
deleted file mode 100644
index 5400e87baef..00000000000
--- a/sci-physics/lammps/lammps-20150909.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-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="http://lammps.sandia.gov/"
-SRC_URI="http://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-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-20150911.ebuild b/sci-physics/lammps/lammps-20150911.ebuild
deleted file mode 100644
index 5400e87baef..00000000000
--- a/sci-physics/lammps/lammps-20150911.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-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="http://lammps.sandia.gov/"
-SRC_URI="http://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-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-20150924.ebuild b/sci-physics/lammps/lammps-20150924.ebuild
deleted file mode 100644
index 5400e87baef..00000000000
--- a/sci-physics/lammps/lammps-20150924.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-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="http://lammps.sandia.gov/"
-SRC_URI="http://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-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-20151005.ebuild b/sci-physics/lammps/lammps-20151005.ebuild
deleted file mode 100644
index 5400e87baef..00000000000
--- a/sci-physics/lammps/lammps-20151005.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-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="http://lammps.sandia.gov/"
-SRC_URI="http://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-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-20151022.ebuild b/sci-physics/lammps/lammps-20151022.ebuild
deleted file mode 100644
index 39fd77910e5..00000000000
--- a/sci-physics/lammps/lammps-20151022.ebuild
+++ /dev/null
@@ -1,241 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-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="http://lammps.sandia.gov/"
-SRC_URI="http://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-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-20151023.ebuild b/sci-physics/lammps/lammps-20151023.ebuild
deleted file mode 100644
index 39fd77910e5..00000000000
--- a/sci-physics/lammps/lammps-20151023.ebuild
+++ /dev/null
@@ -1,241 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-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="http://lammps.sandia.gov/"
-SRC_URI="http://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-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-20151026.ebuild b/sci-physics/lammps/lammps-20151026.ebuild
deleted file mode 100644
index 55f834d0c88..00000000000
--- a/sci-physics/lammps/lammps-20151026.ebuild
+++ /dev/null
@@ -1,213 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3,3_4} )
-
-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="http://lammps.sandia.gov/"
-SRC_URI="http://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-20151031.ebuild b/sci-physics/lammps/lammps-20151031.ebuild
deleted file mode 100644
index 55f834d0c88..00000000000
--- a/sci-physics/lammps/lammps-20151031.ebuild
+++ /dev/null
@@ -1,213 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3,3_4} )
-
-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="http://lammps.sandia.gov/"
-SRC_URI="http://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
-}