sci-physics/lammps: Adding new version.

Package-Manager: portage-2.2.14/cvs/Linux x86_64
Manifest-Sign-Key: 0xAC91CA52

diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog
index 64277df888ee6358a857d9a8fc2b49b4fd353955..616e96b43f7dd090c0a57295a3c32d18c6764592 100644 (file)
--- a/sci-physics/lammps/ChangeLog
+++ b/sci-physics/lammps/ChangeLog
@@ -1,6 +1,11 @@
 # ChangeLog for sci-physics/lammps
 # Copyright 1999-2015 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.79 2015/03/21 13:10:45 nicolasbock Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.80 2015/03/21 15:07:45 nicolasbock Exp $
+
+*lammps-20150312 (21 Mar 2015)
+
+  21 Mar 2015; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20150312.ebuild:
+  sci-physics/lammps: Adding new version.
 
   21 Mar 2015; Nicolas Bock <nicolasbock@gentoo.org> lammps-20150210.ebuild:
   sci-physics/lammps-20150210: Stable for amd64, rf. bug #544018.

diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index f83fe47e821a27758e7a75a949970fc9a28293df..de608a5b28692bb4167827414f8fd02d9657d71e 100644 (file)
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -5,6 +5,7 @@ AUX chunk.patch 608 SHA256 1e8eae1e25b0975c949efda91fb97899ca4bedc99f40dbb23eaab
 DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e03536b7bb355dac7a9e013ddf9b8 SHA512 a7804377a23f03f338bdaf443439dffcdc52293b4c45e6369b340a1107510fed0b8a198e3b5afcff2e04e109985b52ee62e7b28276697bae37ac6f783d1ab9f2 WHIRLPOOL 09f29cadf8b072d388abe45ec219341d2a14a6c9cc9e4010a0f7945e930e9984738f7837748d117ab95ca76ce0c8d9160fe88dcec17e8d21b81f385dec8f7005
 DIST lammps-10Jan15.tar.gz 62757375 SHA256 b3cbc1e2efb64b5431744940a8d78a0737824c46bfa18c2f0cc6565d67394421 SHA512 40d273049c9c22cb9828d4f51c29dd1044efad24a78e989f4c0da443ebd8f84d15dc18197ecc41cfc3a3f70ce5b59aeb82bb84dafa014a62b991b6d9b674f4fe WHIRLPOOL 946ab5f4d0701abbaadee94ad5493d6c39bad6ed866ae29176ffa8f16b3508a7cb0a8deefddd987aaf95ae2f74b768cadeddc54b4c053eb12dfde2b9fa597fb8
 DIST lammps-11Jul14.tar.gz 64634749 SHA256 05a9af6fae3f27e41ee776fb3c306a07c2f80b953770fa1ccbd36bbbb6991283 SHA512 6951d9af5d1f77f3160ba13ed70bb1ff71d1f8da0716b784b3e3cf010eb8b9ee68ac49befe4602771bbb4a473fd531f07568d922e0bbff97d4193f9e8c0ea793 WHIRLPOOL f1b814171e81898f7138b6116d4bddedfdccc0a956d11184fb64c82722905a28a97420c19b65edef488915ce956479b0ba255767b45f2f70c53e5674ee6e3744
+DIST lammps-12Mar15.tar.gz 63521532 SHA256 048dc4d5f9f4d26d6f9bfeb4e20bb48cd01d3b064fb0b091309218c0895dbb3e SHA512 2581d795adcde9ef7bd10ebea5cfa1897835849c8aea112b8d45614e2eabb610316c6f7cba94b5324203b08382d31bdb17a3031d4d7f1ef4e951c35a08eda6f3 WHIRLPOOL 7fd33fed676b5b833dd053d79e64d090aa8384b462026147ee9e62313e937abaaef1d95d04c152254b2a1593f8b0baa077e5b68f85cb9f461f7128363a50214e
 DIST lammps-13Feb15.tar.gz 62974524 SHA256 6be39873ff30eaaf467ac201d7f9b06b7fb175c5fcc4687dc38b7e8ab8ac0544 SHA512 20a0e7ba4905cf3e1f57df9bb9ddba298c8ee03e823d920ffa526a6ee318e4c9a5d3319bd79a46441a895c5b03ba0d296a2921f38f5795014f544ec58b3be629 WHIRLPOOL 22e9534dc84a9ce5cc2f5ca0ff693a05cc8afa1f307cac71d739c7504e56a11121acda62cc1d141f2e8f556a4c35bddeeac09cd429cddde531dec115925f4b00
 DIST lammps-14Jun14.tar.gz 64597109 SHA256 cf7d492862c7bbb1865631b8abce34ea8b5edac17a573c8924c4f9b885fccac3 SHA512 fb0d5d58c1abd402d0aa311156f023af9579793b6606f5c449f5bf0b298dc77a0c68198dc2898d9d8f0f84b24bd84fec3d60b1549d60446152b9e18d5f217608 WHIRLPOOL 7336cb8f57aa856ae7b8ca77bbdfb78df9c2a4fd229f58884c302e88dd75aa53c567c22fbdc8c87af032df264dbdd222d23143b23ba5a84dd8e94f5a7a260838
 DIST lammps-15Aug14.tar.gz 65114807 SHA256 de4ad0c90c43c234fb5c4efa179122acdecb5dba6834ec6e42fa7a237ae767c0 SHA512 af61d517ae707ce53f670ec924bb8a55b6e1c2ed67c5343e84696116c2f9d0f716ac5841618600b466462b68fb24e0129e41febbeddd87c68d7672547de3fa9e WHIRLPOOL 0658cdcda382693278b1dc029a59e5fbdda0c4bae43183799486c8c1d85989e509ed7eee9574a862d2fbcb7f533cb718a5f08a23dd4371c41c96296dd7ecc586
@@ -79,16 +80,17 @@ EBUILD lammps-20150224.ebuild 4955 SHA256 7b01f730130e59fad8479f993fd8ad87a3bb54
 EBUILD lammps-20150304.ebuild 5129 SHA256 a54aed100c0175a1821776bf6ccffbb7236e2e55306d25850f3ef72aa7a329cb SHA512 58c64d157bc6ba56019c55a7d217923d12f13260301105af6de9514c93f9b58fa472bbb58fc49f3b0a7ed30c1c010d6a394213c0a18dd8270e315446f6f40f2f WHIRLPOOL a225802274566b1bbf58b259793752bfc1141450e203e1e14035111f1cfcbbf0f1736462152fa5303377aa030e73c9750e84af2f9ecaf081e757483d285ffe15
 EBUILD lammps-20150305.ebuild 5129 SHA256 7807125784a48075648cfb58ed28dbaca2eb17511f7d91accfc6f6567c336386 SHA512 8bb7b68699f3798e707f9bfac0acd120dc2a0fceefda27b68bb17e25bceb8a8ed194a9640c9fc75f49b68509699e4503b9052111cd850e3b6ee9428f44ba7077 WHIRLPOOL 450d89c9db6cb48213146d14ebe719a90bf72c362e63c14ccc717cced919f073f8c92ae1508527ac8cbeb149c1c2bd066d033afcb8758d9cb677be1e209eb395
 EBUILD lammps-20150306.ebuild 5179 SHA256 f828047af1693586ddbd41a395bcaf9c27ce080e4efba9077f1054adeda7ba16 SHA512 367d0269af4b293f68470ef164c91419836ef49203617d8f5b6fecc80c850d0208b14151cea78db03ac157dfab20b641acf98875cf3feaa1fca58644938bd0b9 WHIRLPOOL d5dd08f6e5be9d6b19c2adc69561ef49f92b70698092103c9940bbb383fdad741a223fa9111983d8a8029ba4e0f6459c02c6ac94c4e9800b3fab460fa2bb8f44
-MISC ChangeLog 13329 SHA256 7b3f1b86f861a0fdce17e86c160cc30988ac4a997a091ab8786ab29dd8a2fb0c SHA512 7aea19cbbbad1fb9f75f35498f474ca8dbcdac88210d7ac3f3341fadfee5d7c61386e17117aaa588162c8131ebc442bbd2e4829ccaae1f5816f6ba492c0323ab WHIRLPOOL 25000e7f6a483ded9b46efc8bc157e51003834043d6f5f91bd9cae915433a195c50fcff3c643e607cd223f567607c88bd1757aadafed97e5d23fcfc3c476ec0b
+EBUILD lammps-20150312.ebuild 5082 SHA256 ecb723ccda7e15bb6eaccf1dec08e94efb363c6b41eca548ded1045eded6870d SHA512 8fb321ab448d94894c95cd1f7ee7948718522b044820e5cb1cbe31f640e9ea7a439f61cc5fa1b1757732c135c7b763d240d3cf35937843a94691c8e70aa42c79 WHIRLPOOL 634b04b5d56cf979e8f96be491a31185b0593cb87e2f1229f2427c7fd3d127589a0ea6a531bdee5dcf34e154684a2fdc355d3fd50640651c9eaf10bf059b14dd
+MISC ChangeLog 13482 SHA256 5956e909897660e5cdb321b9d10bee87c8f5467ec6818212a6c2d64e363d8d39 SHA512 47e1b84e49389cf64b0f657a8f9c5aeeeae9b9f9422704894eeaf6a3195cf2b1743ead9df7fd5e5fd6a0d794812a9269bb9055bab6909a2a3306527e964946e8 WHIRLPOOL fc1ab1129b48b0a40f70fe17604395cffa2fa780c72429ea1a293cc93da5a39a05117db502d918140b92ff6cc595d062a518411d073b35b9378d2fc0dd88d740
 MISC metadata.xml 1271 SHA256 2de96e89797d150bffc7933de76da6d8bd24619c475e71286c5fb05637d97f0a SHA512 ce273d9f6f947f976ad008187dce9e5efe62f20a521ac7c0eb23550ef8cdcc2a1e61084e55466c84c77cd8d98eb39cac857057bd82ab9c9537d9cdb1c66d19d1 WHIRLPOOL 8177b79250dc0ad4759c0790111671457a91f9bac4bf21e0bbef3001abb558dfa70dcac45bcfef388c7377c1595854f9729d5881b64d4f699d6664407fc8696c
 -----BEGIN PGP SIGNATURE-----
 Version: GnuPG v2
 
-iQEcBAEBCAAGBQJVDW3aAAoJEF1ww0n44d9N3TYH/30Nui5bcai+EjHGCsFgLGyg
-rsZ83kxEOfHK2o9KTNhZNebM4XCmOdnJ49h05pF6d8KjlmZVeoFWGYCXdAG3OGur
-LxdTRPWYIaz+5VWiWUiUjHaHKVZzMWbPzWsrTeRI2Fe+W2QA4dHzsXQ0qrVl/JW5
-6ve8IHJbNh6TKocQ5Bym2WH5jaANKktqJ+EjNm9ozXMGAS2WU1xVw6/hVBIhHMHj
-LDVT+cHGpC2Gjd/wbUVdDUGIz3C4Vv902tOErYTuzof0iIM8cy8JKy/367OWauxX
-VGxAG0PwmpMEEZVSwts0Syf+Y6yNF/HXmtfceW6MoIPA5wpezJ71wbGgmEfRIg4=
-=RJIk
+iQEcBAEBCAAGBQJVDYlEAAoJEF1ww0n44d9NQIAIAK7K4P2l5IKliG6AiU2/yVj7
+zJzTi5G/g6DGRSx5JgDN3rLK0X3Vca75RN9dviej+K0LifOB+MncpnE9yb5kcCiZ
+0/v4Uwihf6oIUXudDRO+Sf4cL5/9t/Xnf76degrxHNDIhBe3UjNvmdKPIMZoplju
+MXqeShUCDmhYFRqMCEKrN6LLJYrIaa4U/+CoA38T9riQ+JZT/jigPpoaXqe9wetx
+Y+wz/YlNz3R1RAiucbZGTB5NPwR4pCELi19s4AilgDDowdO6wvFxCSiw6JZndhMy
+yKRaBwO0WmOOF9U2Qw8T0SBPxbEkB6k9ANUpv71ogU6XrfpcfPJkOyEFEnRoMfU=
+=8+53
 -----END PGP SIGNATURE-----

diff --git a/sci-physics/lammps/lammps-20150312.ebuild b/sci-physics/lammps/lammps-20150312.ebuild
new file mode 100644 (file)
index 0000000..559adba
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150312.ebuild
@@ -0,0 +1,212 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20150312.ebuild,v 1.1 2015/03/21 15:07:45 nicolasbock Exp $
+
+EAPI=5
+
+inherit eutils flag-o-matic fortran-2 multilib
+
+convert_month() {
+       case $1 in
+               01) echo Jan
+                       ;;
+               02) echo Feb
+                       ;;
+               03) echo Mar
+                       ;;
+               04) echo Apr
+                       ;;
+               05) echo May
+                       ;;
+               06) echo Jun
+                       ;;
+               07) echo Jul
+                       ;;
+               08) echo Aug
+                       ;;
+               09) echo Sep
+                       ;;
+               10) echo Oct
+                       ;;
+               11) echo Nov
+                       ;;
+               12) echo Dec
+                       ;;
+               *)  echo unknown
+                       ;;
+       esac
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi static static-libs"
+
+DEPEND="
+       mpi? (
+               virtual/blas
+               virtual/lapack
+               virtual/mpi
+       )
+       sci-libs/voro++
+       "
+RDEPEND="${DEPEND}"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+       local LAMMPS_INCLUDEFLAGS
+       LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+       LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
+
+       # The lammps makefile uses CC to indicate the C++ compiler.
+       emake \
+               ARCHIVE=$(tc-getAR) \
+               CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
+               F90=$(usex mpi "mpif90" "$(tc-getFC)") \
+               LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
+               CCFLAGS="${CXXFLAGS}" \
+               F90FLAGS="${FCFLAGS}" \
+               LINKFLAGS="${LDFLAGS}" \
+               LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+               MPI_INC=$(usex mpi "" "-I../STUBS") \
+               MPI_PATH=$(usex mpi "" "-L../STUBS") \
+               MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
+               user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+               "$@"
+}
+
+src_prepare() {
+       # Fix inconsistent use of SHFLAGS.
+       sed -i \
+               -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+               -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+               lib/voronoi/Makefile.lammps || die
+
+       # Fix missing .so name.
+       sed -i \
+               -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+               src/MAKE/Makefile.serial || die
+
+       # Fix makefile in tools.
+       sed -i \
+               -e 's:g++:$(CXX) $(CXXFLAGS):' \
+               -e 's:gcc:$(CC) $(CCFLAGS):' \
+               -e 's:ifort:$(FC) $(FCFLAGS):' \
+               tools/Makefile || die
+}
+
+src_compile() {
+       # Prepare compiler flags.
+       append-cxxflags -fPIC -I../../src
+       append-fflags -fPIC
+
+       # Compile stubs for serial version.
+       use mpi || lmp_emake -C src mpi-stubs
+
+       # Build packages
+       emake -C src yes-asphere
+       emake -C src yes-body
+       emake -C src yes-class2
+       emake -C src yes-colloid
+       emake -C src yes-coreshell
+       emake -C src yes-dipole
+       emake -C src yes-fld
+       #emake -C src yes-gpu
+       emake -C src yes-granular
+       # Need OpenKIM external dependency.
+       #emake -C src yes-kim
+       # Need Kokkos external dependency.
+       #emake -C src yes-kokkos
+       emake -C src yes-kspace
+       emake -C src yes-manybody
+       emake -C src yes-mc
+       lmp_emake -C src yes-meam
+       lmp_emake -j1 -C lib/meam -f Makefile.gfortran
+       emake -C src yes-misc
+       emake -C src yes-molecule
+       #emake -C src yes-mpiio
+       emake -C src yes-opt
+       emake -C src yes-peri
+       emake -C src yes-poems
+       lmp_emake -C lib/poems -f Makefile.g++
+       emake -C src yes-qeq
+       emake -C src yes-reax
+       lmp_emake -j1 -C lib/reax -f Makefile.gfortran
+       emake -C src yes-replica
+       emake -C src yes-rigid
+       emake -C src yes-shock
+       emake -C src yes-snap
+       emake -C src yes-srd
+       emake -C src yes-voronoi
+       emake -C src yes-xtc
+
+       if use mpi; then
+               emake -C src yes-user-atc
+               lmp_emake -C lib/atc -f Makefile.g++
+       fi
+       emake -C src yes-user-eff
+       emake -C src yes-user-fep
+       use mpi && emake -C src yes-user-lb
+       emake -C src yes-user-phonon
+       emake -C src yes-user-sph
+
+       if use static-libs; then
+               # Build static library.
+               lmp_emake -C src mode=lib serial
+       fi
+
+       # Build shared library.
+       lmp_emake -C src mode=shlib serial
+
+       # Compile main executable.
+       if use static; then
+               lmp_emake -C src serial
+       else
+               lmp_emake -C src mode=shexe serial
+       fi
+
+       # Compile tools.
+       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
+
+       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
+}