jlec        14/08/15 08:50:34

  Modified:             metadata.xml ChangeLog
  Added:                apbs-1.4.1.ebuild
  Log:
  sci-chemistry/apbs: Version BUmp
  
  (Portage version: 2.2.12/cvs/Linux x86_64, signed Manifest commit with key 
B9D4F231BD1558AB!)

Revision  Changes    Path
1.14                 sci-chemistry/apbs/metadata.xml

file : 
http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/apbs/metadata.xml?rev=1.14&view=markup
plain: 
http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/apbs/metadata.xml?rev=1.14&content-type=text/plain
diff : 
http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/apbs/metadata.xml?r1=1.13&r2=1.14

Index: metadata.xml
===================================================================
RCS file: /var/cvsroot/gentoo-x86/sci-chemistry/apbs/metadata.xml,v
retrieving revision 1.13
retrieving revision 1.14
diff -u -r1.13 -r1.14
--- metadata.xml        19 Feb 2013 15:42:15 -0000      1.13
+++ metadata.xml        15 Aug 2014 08:50:33 -0000      1.14
@@ -10,6 +10,7 @@
   <use>
     <flag name="arpack">Include support for arpack libs</flag>
     <flag name="fetk">Include support for FeTK</flag>
+    <flag name="fast">APBS fast mode (experimental)</flag>
     <flag name="tools">Install optional tools</flag>
   </use>
   <longdescription>



1.64                 sci-chemistry/apbs/ChangeLog

file : 
http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/apbs/ChangeLog?rev=1.64&view=markup
plain: 
http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/apbs/ChangeLog?rev=1.64&content-type=text/plain
diff : 
http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/apbs/ChangeLog?r1=1.63&r2=1.64

Index: ChangeLog
===================================================================
RCS file: /var/cvsroot/gentoo-x86/sci-chemistry/apbs/ChangeLog,v
retrieving revision 1.63
retrieving revision 1.64
diff -u -r1.63 -r1.64
--- ChangeLog   2 May 2013 15:16:35 -0000       1.63
+++ ChangeLog   15 Aug 2014 08:50:33 -0000      1.64
@@ -1,6 +1,12 @@
 # ChangeLog for sci-chemistry/apbs
-# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/apbs/ChangeLog,v 1.63 
2013/05/02 15:16:35 jlec Exp $
+# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/apbs/ChangeLog,v 1.64 
2014/08/15 08:50:33 jlec Exp $
+
+*apbs-1.4.1 (15 Aug 2014)
+
+  15 Aug 2014; Justin Lecher <[email protected]> +apbs-1.4.1.ebuild,
+  +files/apbs-1.4.1-multilib.patch, metadata.xml:
+  Version BUmp
 
   02 May 2013; Justin Lecher <[email protected]> apbs-1.3-r3.ebuild:
   Fix obsolete macros in automake-1.13



1.1                  sci-chemistry/apbs/apbs-1.4.1.ebuild

file : 
http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/apbs/apbs-1.4.1.ebuild?rev=1.1&view=markup
plain: 
http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/apbs/apbs-1.4.1.ebuild?rev=1.1&content-type=text/plain

Index: apbs-1.4.1.ebuild
===================================================================
# Copyright 1999-2014 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/apbs/apbs-1.4.1.ebuild,v 1.1 
2014/08/15 08:50:33 jlec Exp $

EAPI=5

PYTHON_COMPAT=( python2_7 )

inherit cmake-utils flag-o-matic multilib python-single-r1 toolchain-funcs

GITHUB_REV="74fcb8676de69ed04ddab8976a8b05a6caaf4d65"

DESCRIPTION="Evaluation of electrostatic properties of nanoscale biomolecular 
systems"
HOMEPAGE="http://www.poissonboltzmann.org/apbs/";
#SRC_URI="mirror://sourceforge/${PN}/${P}-source.tar.gz"
SRC_URI="https://github.com/Electrostatics/apbs-pdb2pqr/archive/${GITHUB_REV}.zip
 -> ${P}.zip"

SLOT="0"
LICENSE="BSD"
KEYWORDS="~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux"
IUSE="debug doc examples fast +fetk mpi openmp python tools"

REQUIRED_USE="mpi? ( !python )"

RDEPEND="
        dev-cpp/eigen:3
        dev-libs/maloc[mpi=]
        virtual/blas
        sys-libs/readline
        fetk? (
                sci-libs/fetk
                sci-libs/amd
                sci-libs/umfpack
                sci-libs/superlu
        )
        mpi? ( virtual/mpi )
        python? ( ${PYTHON_DEPS} )
"
DEPEND="${DEPEND}
        virtual/pkgconfig
        doc? ( app-doc/doxygen )
"

S="${WORKDIR}"/${PN}-pdb2pqr-${GITHUB_REV}/${PN}

PATCHES=(
        "${FILESDIR}"/${P}-multilib.patch
)

src_prepare() {
        cmake-utils_src_prepare
        append-cppflags $($(tc-getPKG_CONFIG) --cflags eigen3)

        sed \
                -e "s:-lblas:$($(tc-getPKG_CONFIG) --libs blas):g" \
                -i CMakeLists.txt || die
}

src_configure() {
        local mycmakeargs=(
        -DSYS_LIBPATHS="${EPREFIX}"/usr/$(get_libdir)
                -DLIBRARY_INSTALL_PATH=$(get_libdir)
                -DFETK_PATH="${EPREFIX}"/usr/
                -DBUILD_SHARED_LIBS=ON
                -DENABLE_QUIT=OFF
                $(cmake-utils_use_build doc DOC)
                $(cmake-utils_use_build tools TOOLS)
                -DENABLE_BEM=OFF
# ENABLE_BEM: Boundary element method using TABIPB
                $(cmake-utils_use_enable debug DEBUG)
                $(cmake-utils_use_enable debug VERBOSE_DEBUG)
                $(cmake-utils_use_enable fast FAST)
                $(cmake-utils_use_enable fetk FETK)
                $(cmake-utils_use_enable mpi MPI)
                $(cmake-utils_use_enable python PYTHON)
# ENABLE_TINKER: Enable TINKER support
                $(cmake-utils_use_enable python PYTHON)
# ENABLE_iAPBS: Enable iAPBS
# MAX_MEMORY: Set the maximum memory (in MB) to be used for a job
        )
        cmake-utils_src_configure
}

src_test() {
        cd tests || die
        "${PYTHON}" apbs_tester.py -l log || die
        grep -q 'FAILED' log && die "Tests failed"
}

src_install() {
        cmake-utils_src_install
        python_optimize "${ED}"
}




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