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authorRobin H. Johnson <robbat2@gentoo.org>2015-08-08 13:49:04 -0700
committerRobin H. Johnson <robbat2@gentoo.org>2015-08-08 17:38:18 -0700
commit56bd759df1d0c750a065b8c845e93d5dfa6b549d (patch)
tree3f91093cdb475e565ae857f1c5a7fd339e2d781e /sci-chemistry/openbabel
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proj/gentoo: Initial commit
This commit represents a new era for Gentoo: Storing the gentoo-x86 tree in Git, as converted from CVS. This commit is the start of the NEW history. Any historical data is intended to be grafted onto this point. Creation process: 1. Take final CVS checkout snapshot 2. Remove ALL ChangeLog* files 3. Transform all Manifests to thin 4. Remove empty Manifests 5. Convert all stale $Header$/$Id$ CVS keywords to non-expanded Git $Id$ 5.1. Do not touch files with -kb/-ko keyword flags. Signed-off-by: Robin H. Johnson <robbat2@gentoo.org> X-Thanks: Alec Warner <antarus@gentoo.org> - did the GSoC 2006 migration tests X-Thanks: Robin H. Johnson <robbat2@gentoo.org> - infra guy, herding this project X-Thanks: Nguyen Thai Ngoc Duy <pclouds@gentoo.org> - Former Gentoo developer, wrote Git features for the migration X-Thanks: Brian Harring <ferringb@gentoo.org> - wrote much python to improve cvs2svn X-Thanks: Rich Freeman <rich0@gentoo.org> - validation scripts X-Thanks: Patrick Lauer <patrick@gentoo.org> - Gentoo dev, running new 2014 work in migration X-Thanks: Michał Górny <mgorny@gentoo.org> - scripts, QA, nagging X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed
Diffstat (limited to 'sci-chemistry/openbabel')
-rw-r--r--sci-chemistry/openbabel/Manifest1
-rw-r--r--sci-chemistry/openbabel/files/openbabel-2.3.2-test_lib_path.patch27
-rw-r--r--sci-chemistry/openbabel/metadata.xml14
-rw-r--r--sci-chemistry/openbabel/openbabel-2.3.2.ebuild82
4 files changed, 124 insertions, 0 deletions
diff --git a/sci-chemistry/openbabel/Manifest b/sci-chemistry/openbabel/Manifest
new file mode 100644
index 000000000000..082e5b029843
--- /dev/null
+++ b/sci-chemistry/openbabel/Manifest
@@ -0,0 +1 @@
+DIST openbabel-2.3.2.tar.gz 20509105 SHA256 4eaca26679aa6cc85ebf96af19191472ac63ca442c36b0427b369c3a25705188 SHA512 d0e1f8b758ffdd65ec6c31d988bffe3279355e286ce69fad12c5905b3b832e2b73ee95b1061b1576aba1ee9fe4da5e31ec30350c473be17493c657dc80caf919 WHIRLPOOL 74eff18b73d24c8f702e5573a58ba6afba8402e9ce8782de95dc0568575a7d2d632dbc8e8a98b3cd25efdfa7379494f7dcd449342c81ddf73f42a387bce77aaa
diff --git a/sci-chemistry/openbabel/files/openbabel-2.3.2-test_lib_path.patch b/sci-chemistry/openbabel/files/openbabel-2.3.2-test_lib_path.patch
new file mode 100644
index 000000000000..1354f52685c6
--- /dev/null
+++ b/sci-chemistry/openbabel/files/openbabel-2.3.2-test_lib_path.patch
@@ -0,0 +1,27 @@
+diff -ru old/openbabel-2.3.0/test/CMakeLists.txt new/openbabel-2.3.0/test/CMakeLists.txt
+--- old/openbabel-2.3.0/test/CMakeLists.txt 2010-10-26 17:39:01.000000000 +0300
++++ new/openbabel-2.3.0/test/CMakeLists.txt 2010-11-14 18:13:32.000000000 +0200
+@@ -2,7 +2,7 @@
+ add_definitions(-DTESTDATADIR="\\"${CMAKE_SOURCE_DIR}/test/files/\\"")
+
+ # define FORMATDIR for location of format plugin binaries
+-add_definitions(-DFORMATDIR="\\"${openbabel_BINARY_DIR}/lib/\\"")
++add_definitions(-DFORMATDIR="\\"${openbabel_BINARY_DIR}/lib${LIB_SUFFIX}/\\"")
+
+ ###########################################################
+ # new tests using obtest.h
+@@ -32,12 +35,12 @@ set(tests
+ uniqueid
+ )
+
+-if (EIGEN2_FOUND)
++if(EIGEN2_FOUND OR EIGEN3_FOUND)
+ set(tests
+ align
+ ${tests}
+ )
+-endif (EIGEN2_FOUND)
++endif()
+
+ set(TEST_PATH ${CMAKE_RUNTIME_OUTPUT_DIRECTORY})
+
diff --git a/sci-chemistry/openbabel/metadata.xml b/sci-chemistry/openbabel/metadata.xml
new file mode 100644
index 000000000000..3353dfa452a4
--- /dev/null
+++ b/sci-chemistry/openbabel/metadata.xml
@@ -0,0 +1,14 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+ <herd>sci-chemistry</herd>
+ <longdescription>
+ Open Babel is a chemical toolbox designed to speak the many languages of
+ chemical data. It's an open, collaborative project allowing anyone to
+ search, convert, analyze, or store data from molecular modeling, chemistry,
+ solid-state materials, biochemistry, or related areas.
+ </longdescription>
+ <upstream>
+ <remote-id type="sourceforge">openbabel</remote-id>
+ </upstream>
+</pkgmetadata>
diff --git a/sci-chemistry/openbabel/openbabel-2.3.2.ebuild b/sci-chemistry/openbabel/openbabel-2.3.2.ebuild
new file mode 100644
index 000000000000..c0a06edd6006
--- /dev/null
+++ b/sci-chemistry/openbabel/openbabel-2.3.2.ebuild
@@ -0,0 +1,82 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+WX_GTK_VER="2.8"
+
+inherit cmake-utils eutils wxwidgets
+
+DESCRIPTION="Interconverts file formats used in molecular modeling"
+HOMEPAGE="http://openbabel.sourceforge.net/"
+SRC_URI="mirror://sourceforge/openbabel/${P}.tar.gz"
+
+SLOT="0"
+LICENSE="GPL-2"
+KEYWORDS="amd64 ~arm ppc x86 ~amd64-linux ~x86-linux ~ppc-macos"
+IUSE="doc openmp test wxwidgets"
+
+RDEPEND="
+ !sci-chemistry/babel
+ dev-cpp/eigen:3
+ dev-libs/libxml2:2
+ sci-libs/inchi
+ sys-libs/zlib
+ wxwidgets? ( x11-libs/wxGTK:2.8[X] )"
+DEPEND="${RDEPEND}
+ >=dev-util/cmake-2.4.8
+ doc? ( app-doc/doxygen )"
+
+DOCS="AUTHORS ChangeLog NEWS README THANKS doc/*.inc doc/README* doc/*.mol2"
+
+PATCHES=( "${FILESDIR}"/${P}-test_lib_path.patch )
+
+pkg_setup() {
+ if use openmp; then
+ if [[ $(tc-getCC) == *gcc ]] && ! tc-has-openmp; then
+ ewarn "OpenMP is not available in your current selected gcc"
+ die "need openmp capable gcc"
+ fi
+ FORTRAN_NEED_OPENMP=1
+ fi
+}
+
+src_configure() {
+ local mycmakeargs=""
+ mycmakeargs="${mycmakeargs}
+ -DOPENBABEL_USE_SYSTEM_INCHI=ON
+ $(cmake-utils_use_enable openmp OPENMP)
+ $(cmake-utils_use wxwidgets BUILD_GUI)"
+
+ cmake-utils_src_configure
+}
+
+src_install() {
+ dohtml doc/{*.html,*.png}
+ if use doc ; then
+ insinto /usr/share/doc/${PF}/API/html
+ doins doc/API/html/*
+ fi
+
+ cmake-utils_src_install
+}
+
+src_test() {
+ local mycmakeargs=""
+ mycmakeargs="${mycmakeargs}
+ -DOPENBABEL_USE_SYSTEM_INCHI=ON
+ -DPYTHON_EXECUTABLE=false
+ $(cmake-utils_use_enable openmp OPENMP)
+ $(cmake-utils_use wxwidgets BUILD_GUI)
+ $(cmake-utils_use_enable test TESTS)"
+
+ cmake-utils_src_configure
+ cmake-utils_src_compile
+ cmake-utils_src_test -E py
+}
+
+pkg_postinst() {
+ optfeature "perl support" sci-chemistry/openbabel-perl
+ optfeature "python support" sci-chemistry/openbabel-python
+}