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 3c2a64d5301b90a00778b4e2f1620e03bd5d606f..f0cc0609acb5ab04f78c5b10122673561425a87d 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 1.68 2015/02/08 13:46:11 nicolasbock Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.69 2015/02/17 16:53:27 nicolasbock Exp $
+
+*lammps-20150210 (17 Feb 2015)
+
+  17 Feb 2015; Nicolas Bock <nicolasbock@gentoo.org> +lammps-20150210.ebuild:
+  sci-physics/lammps: Adding new version.
 
 *lammps-20150206 (08 Feb 2015)
 

diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 18d93d3dbd87af10a86f26cd4927d9544162a282..a1b26c9edc45e032fb5c24fcc6a632ff2a08769e 100644 (file)
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -1,6 +1,7 @@
 -----BEGIN PGP SIGNED MESSAGE-----
 Hash: SHA256
 
+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-14Jun14.tar.gz 64597109 SHA256 cf7d492862c7bbb1865631b8abce34ea8b5edac17a573c8924c4f9b885fccac3 SHA512 fb0d5d58c1abd402d0aa311156f023af9579793b6606f5c449f5bf0b298dc77a0c68198dc2898d9d8f0f84b24bd84fec3d60b1549d60446152b9e18d5f217608 WHIRLPOOL 7336cb8f57aa856ae7b8ca77bbdfb78df9c2a4fd229f58884c302e88dd75aa53c567c22fbdc8c87af032df264dbdd222d23143b23ba5a84dd8e94f5a7a260838
@@ -62,12 +63,13 @@ EBUILD lammps-20150201.ebuild 4955 SHA256 793a647b362c150b4cc7b97cc705d301deab54
 EBUILD lammps-20150202.ebuild 4955 SHA256 4d6eea969d29fbaf070992b394a8458a21adb9249c238b87abc13be44bae2eac SHA512 c92db0dc460e22b6611354922e6689b961e98a7a1cb20c0e8157365cd3fb93cb9b9bb96e4066762c27383369750345191e5e5944d8e89b338f38c85fb4e1cfb9 WHIRLPOOL 20e82e13b3e9023fce6355b9d87b0530b30f571e54e773363554d3f09fbf23bbdd25811a0ec20db0df17385d198fff43051f5dd17be323a003ae3e20caa2f9bd
 EBUILD lammps-20150203.ebuild 4955 SHA256 72d5ca060ed141d4e489b581ab4e044f93f264e24176fc7f5ba8ba9ca421d856 SHA512 f22e84ae026112034ffd64e8868c5278c54e6e789f399a89fa1ca7703c709fa711a1cbfb8ab1ec238a5c5e1cfabe011956943959eb759bfad38a7276496100d5 WHIRLPOOL ac576ee84099d4523cf64feaf047074f43763fa61de1bf9f7975b0da4ffbe753298e20086d8f47e6329853e4b3580f8aa15e8147fc5b29c32144109b4bfa6aee
 EBUILD lammps-20150206.ebuild 4955 SHA256 b48ee96f619f7f722f52d32e1f4f3946c6dd900acf65d0ffed04c8833e24311c SHA512 d1e697d8deb2f5c221dc954e7a2460438ed2d91e407b54c48015995834f27c74fec45e3dcf0cb7bdbae045da91a8e87ede81f6ba635ee82b68edd507348ed08f WHIRLPOOL d0319a19ed1f3de463ba1933d10d7f8da4f47ae5e6173c5100acb5077e6474c4e6d0929ce653af75507a976d75f7e7c2172f3601a7bbea7f19e604321393c229
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+EBUILD lammps-20150210.ebuild 4955 SHA256 e96f80d5747310782ae7b9c3eb1637b48b7a8761ab517d9556cd3d1b757dd68b SHA512 0517c6f3d4dce7d74a9f78994f0b54c656d5f9d8bb002b379fb2b6a853e4de867a35d86cce3673a9c6ea6b5f7da30b930cf03f9e183f670e0defa81ad682ad9f WHIRLPOOL f5d5e38ad96b7203667c484066458b84022369e895c741d8b78051e58d9e49a4fa654b9941ba99c1339d18f420a06918c8298bc61bb3f07358338ac1a05186eb
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diff --git a/sci-physics/lammps/lammps-20150210.ebuild b/sci-physics/lammps/lammps-20150210.ebuild
new file mode 100644 (file)
index 0000000..f4b9128
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150210.ebuild
@@ -0,0 +1,206 @@
+# 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-20150210.ebuild,v 1.1 2015/02/17 16:53:27 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/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi static-libs"
+
+DEPEND="
+       mpi? (
+               virtual/blas
+               virtual/lapack
+               virtual/mpi
+       )
+       sci-libs/voro++
+       "
+RDEPEND="${DEPEND}"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+       local LAMMPS_INCLUDEFLAGS
+       LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+       LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
+
+       # The lammps makefile uses CC to indicate the C++ compiler.
+       emake \
+               ARCHIVE=$(tc-getAR) \
+               CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
+               F90=$(usex mpi "mpif90" "$(tc-getFC)") \
+               LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
+               CCFLAGS="${CXXFLAGS}" \
+               F90FLAGS="${FCFLAGS}" \
+               LINKFLAGS="${LDFLAGS}" \
+               LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+               MPI_INC=$(usex mpi '' "-I../STUBS") \
+               MPI_PATH=$(usex mpi '' '-L../STUBS') \
+               MPI_LIB=$(usex mpi '' '-lmpi_stubs') \
+               user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+               "$@"
+}
+
+src_prepare() {
+       # Fix inconsistent use of SHFLAGS.
+       sed -i \
+               -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+               -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+               lib/voronoi/Makefile.lammps || die
+
+       # Fix missing .so name.
+       sed -i \
+               -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+               src/MAKE/Makefile.serial || die
+
+       # Fix makefile in tools.
+       sed -i \
+               -e 's:g++:$(CXX) $(CXXFLAGS):' \
+               -e 's:gcc:$(CC) $(CCFLAGS):' \
+               -e 's:ifort:$(FC) $(FCFLAGS):' \
+               tools/Makefile || die
+}
+
+src_compile() {
+       # Prepare compiler flags.
+       append-cxxflags -fPIC -I../../src
+       append-fflags -fPIC
+
+       # Compile stubs for serial version.
+       use mpi || lmp_emake -C src stubs
+
+       # Build packages
+       emake -C src yes-asphere
+       emake -C src yes-body
+       emake -C src yes-class2
+       emake -C src yes-colloid
+       emake -C src yes-dipole
+       emake -C src yes-fld
+       #emake -C src yes-gpu
+       emake -C src yes-granular
+       # Need OpenKIM external dependency.
+       #emake -C src yes-kim
+       # Need Kokkos external dependency.
+       #emake -C src yes-kokkos
+       emake -C src yes-kspace
+       emake -C src yes-manybody
+       emake -C src yes-mc
+       lmp_emake -C src yes-meam
+       lmp_emake -j1 -C lib/meam -f Makefile.gfortran
+       emake -C src yes-misc
+       emake -C src yes-molecule
+       #emake -C src yes-mpiio
+       emake -C src yes-opt
+       emake -C src yes-peri
+       emake -C src yes-poems
+       lmp_emake -C lib/poems -f Makefile.g++
+       emake -C src yes-reax
+       lmp_emake -j1 -C lib/reax -f Makefile.gfortran
+       emake -C src yes-replica
+       emake -C src yes-rigid
+       emake -C src yes-shock
+       emake -C src yes-snap
+       emake -C src yes-srd
+       emake -C src yes-voronoi
+       emake -C src yes-xtc
+
+       emake -C src yes-user-eff
+       emake -C src yes-user-fep
+       use mpi && emake -C src yes-user-lb
+       emake -C src yes-user-phonon
+       emake -C src yes-user-sph
+
+       if use mpi; then
+               emake -C src yes-user-atc
+               lmp_emake -C lib/atc -f Makefile.g++
+       fi
+
+       if use static-libs; then
+               # Build static library.
+               lmp_emake -C src makelib
+               lmp_emake -C src -f Makefile.lib serial
+       fi
+
+       # Build shared library.
+       lmp_emake -C src makeshlib
+       lmp_emake -C src -f Makefile.shlib serial
+
+       # Compile main executable.
+       lmp_emake -C src serial
+
+       # Compile tools.
+       emake -C tools binary2txt chain micelle2d data2xmovie
+}
+
+src_install() {
+       use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+       newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+       dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+       dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+       newbin src/lmp_serial lmp
+       dobin tools/binary2txt
+       # Don't forget to add header files of optional packages as they are added
+       # to this ebuild. There may also be .mod files from Fortran based
+       # packages.
+       insinto "/usr/include/${PN}"
+       doins -r src/*.h lib/meam/*.mod
+
+       local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+       insinto "/${LAMMPS_POTENTIALS}"
+       doins potentials/*
+       echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+       doenvd 99lammps
+
+       if use examples; then
+               local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+               insinto "${LAMMPS_EXAMPLES}"
+               doins -r examples/*
+       fi
+
+       dodoc README
+       if use doc; then
+               dodoc doc/Manual.pdf
+               dohtml -r doc/*
+       fi
+}