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author | Justin Lecher <jlec@gentoo.org> | 2012-03-25 13:28:39 +0200 |
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committer | Justin Lecher <jlec@gentoo.org> | 2012-03-25 13:28:39 +0200 |
commit | 673d558f7618947a06ea7c77970c6c877c9ccf6d (patch) | |
tree | e319c881f50fa0af6dc87d2b26d02843e2cd0262 /sci-chemistry/ball | |
parent | [dev-cpp/eigen] Added 3.1.0_alpha2 version. Uncomplete lapack implementation. (diff) | |
download | sci-673d558f7618947a06ea7c77970c6c877c9ccf6d.tar.gz sci-673d558f7618947a06ea7c77970c6c877c9ccf6d.tar.bz2 sci-673d558f7618947a06ea7c77970c6c877c9ccf6d.zip |
New addition, written by me, #406401
(Portage version: 2.2.0_alpha95/git/Linux x86_64, unsigned Manifest commit)
Diffstat (limited to 'sci-chemistry/ball')
-rw-r--r-- | sci-chemistry/ball/ChangeLog | 10 | ||||
-rw-r--r-- | sci-chemistry/ball/ball-9999.ebuild | 62 | ||||
-rw-r--r-- | 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 000000000..c93b22c3c --- /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@gentoo.org> +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 000000000..fc7306d67 --- /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 000000000..8c954a23a --- /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@gentoo.org</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> |