[gentoo-commits] proj/sci:master commit in: sci-chemistry/ball/

[Justin Lecher]

commit:     673d558f7618947a06ea7c77970c6c877c9ccf6d
Author:     Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Sun Mar 25 11:28:39 2012 +0000
Commit:     Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Sun Mar 25 11:28:39 2012 +0000
URL:        http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=673d558f

New addition, written by me, #406401

(Portage version: 2.2.0_alpha95/git/Linux x86_64, unsigned Manifest commit)

---
 sci-chemistry/ball/ChangeLog        |   10 ++++++
 sci-chemistry/ball/ball-9999.ebuild |   62 +++++++++++++++++++++++++++++++++++
 sci-chemistry/ball/metadata.xml     |   32 ++++++++++++++++++
 3 files changed, 104 insertions(+), 0 deletions(-)

diff --git a/sci-chemistry/ball/ChangeLog b/sci-chemistry/ball/ChangeLog
new file mode 100644
index 0000000..c93b22c
--- /dev/null
+++ b/sci-chemistry/ball/ChangeLog
@@ -0,0 +1,10 @@
+# ChangeLog for sci-chemistry/ball
+# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
+# $Header: $
+
+*ball-9999 (25 Mar 2012)
+
+  25 Mar 2012; Justin Lecher <jlec@g.o> +ball-9999.ebuild,
+  +metadata.xml:
+  New addition, written by me, #406401
+

diff --git a/sci-chemistry/ball/ball-9999.ebuild b/sci-chemistry/ball/ball-9999.ebuild
new file mode 100644
index 0000000..fc7306d
--- /dev/null
+++ b/sci-chemistry/ball/ball-9999.ebuild
@@ -0,0 +1,62 @@
+# Copyright 1999-2012 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+EAPI=4
+
+PYTHON_DEPEND="python? 2"
+
+inherit cmake-utils git-2 python
+
+DESCRIPTION="Biochemical Algorithms Library"
+HOMEPAGE="http://www.ball-project.org/"
+SRC_URI=""
+EGIT_REPO_URI="http://ball-git.bioinf.uni-sb.de/BALL.git"
+
+SLOT="0"
+LICENSE="LGPL-2 GPL-3"
+KEYWORDS=""
+IUSE="cuda mpi +python sql +threads +webkit"
+
+RDEPEND="
+	dev-cpp/eigen:3
+	dev-libs/boost
+	media-libs/glew
+	sci-libs/fftw:3.0[threads?]
+	sci-libs/gsl
+	sci-libs/libsvm
+	sci-mathematics/lpsolve
+	virtual/opengl
+	x11-libs/libX11
+	x11-libs/qt-core
+	x11-libs/qt-gui
+	x11-libs/qt-opengl
+	x11-libs/qt-test
+	x11-libs/qt-webkit
+	cuda? ( dev-util/nvidia-cuda-toolkit )
+	mpi? ( virtual/mpi )
+	sql? ( x11-libs/qt-sql )
+	webkit? ( x11-libs/qt-webkit )"
+DEPEND="${RDEPEND}
+	dev-python/sip
+	sys-devel/bison
+	virtual/yacc"
+
+src_prepare() {
+	sed \
+		-e '/INSTALL_DIRECTORY/s:"lib":${CMAKE_INSTALL_LIBDIR}:g' \
+		-i CMakeLists.txt || die
+	base_src_prepare
+}
+
+src_configure() {
+	local mycmakeargs=(
+		$(cmake-utils_use_use threads FFTW_THREADS)
+		$(cmake-utils_use cuda MT_ENABLE_CUDA)
+		$(cmake-utils_use mpi MT_ENABLE_MPI)
+		$(cmake-utils_use sql BALL_HAS_QTSQL)
+		$(cmake-utils_use_use webkit USE_QTWEBKIT)
+		$(cmake-utils_use python BALL_PYTHON_SUPPORT)
+	)
+	cmake-utils_src_configure
+}

diff --git a/sci-chemistry/ball/metadata.xml b/sci-chemistry/ball/metadata.xml
new file mode 100644
index 0000000..8c954a2
--- /dev/null
+++ b/sci-chemistry/ball/metadata.xml
@@ -0,0 +1,32 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+	<herd>sci</herd>
+	<maintainer>
+		<email>jlec@g.o</email>
+	</maintainer>
+	<longdescription>
+Rapid Software Prototyping can significantly reduce development times in the 
+field of Computational Molecular Biology and Molecular Modeling. 
+BALL (Biochemical Algorithms Library) is an application framework in C++ that 
+has been specifically designed for this purpose. It provides an extensive set 
+of data structures as well as classes for Molecular Mechanics, advanced 
+solvation methods, comparison and analysis of protein structures, file 
+import/export, and visualization .
+
+BALL has been carefully designed to be robust, easy to use, and open to 
+extensions. Especially its extensibility which results from an object-oriented 
+and generic programming approach distinguishes it from other software packages.
+BALL is well suited to serve as a public repository for reliable data 
+structures and algorithms.
+
+Based on BALL we have developed a stand-alone tool for molecular visualization,
+BALLView . BALLView makes the broad functionality available through an 
+integrated user-friendly GUI.
+</longdescription>
+	<use>
+		<flag name="sql">Include SQL database support</flag>
+		<flag name="cuda">Include cuda support</flag>
+		<flag name="webkit">Uses <pkg>x11-libs/qt-webkit</pkg> for drawing</flag>
+	</use>
+</pkgmetadata>