[gentoo-commits] proj/sci:master commit in: sci-chemistry/chemBuild/files/, sci-chemistry/chemBuild/

[gentoo-commits] proj/sci:master commit in: sci-chemistry/chemBuild/files/, sci-chemistry/chemBuild/

[Justin Lecher]

commit:     b660a9cf1e3318484a545bd720cdec257b537809
Author:     Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Fri Sep 21 08:12:59 2012 +0000
Commit:     Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Fri Sep 21 08:12:59 2012 +0000
URL:        http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=b660a9cf

sci-chemistry/chemBuild: New addition

(Portage version: 2.2.0_alpha130/git/Linux x86_64, unsigned Manifest commit)

---
 sci-chemistry/chemBuild/ChangeLog              |   10 ++++
 sci-chemistry/chemBuild/chemBuild-1.0.2.ebuild |   68 ++++++++++++++++++++++++
 sci-chemistry/chemBuild/files/chemBuild        |    9 +++
 sci-chemistry/chemBuild/metadata.xml           |    5 ++
 4 files changed, 92 insertions(+), 0 deletions(-)

diff --git a/sci-chemistry/chemBuild/ChangeLog b/sci-chemistry/chemBuild/ChangeLog
new file mode 100644
index 0000000..bc17adc
--- /dev/null
+++ b/sci-chemistry/chemBuild/ChangeLog
@@ -0,0 +1,10 @@
+# ChangeLog for sci-chemistry/chemBuild
+# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
+# $Header: $
+
+*chemBuild-1.0.2 (21 Sep 2012)
+
+  21 Sep 2012; Justin Lecher <jlec@gentoo.org> +chemBuild-1.0.2.ebuild,
+  +files/chemBuild, +metadata.xml:
+  New addition
+

diff --git a/sci-chemistry/chemBuild/chemBuild-1.0.2.ebuild b/sci-chemistry/chemBuild/chemBuild-1.0.2.ebuild
new file mode 100644
index 0000000..aa6d98b
--- /dev/null
+++ b/sci-chemistry/chemBuild/chemBuild-1.0.2.ebuild
@@ -0,0 +1,68 @@
+# Copyright 1999-2012 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+EAPI=4
+
+PYTHON_DEPEND="2"
+
+inherit python toolchain-funcs
+
+DESCRIPTION="Graphical tool to construct chemical compound definitions for NMR"
+HOMEPAGE="http://www.ccpn.ac.uk/software/chembuild"
+SRC_URI="http://www2.ccpn.ac.uk/download/ccpnmr/${PN}${PV}_WithApi.tar.gz"
+
+SLOT="0"
+LICENSE="|| ( CCPN LGPL-2.1 )"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE=""
+
+RDEPEND="dev-python/pyside"
+DEPEND=""
+
+S="${WORKDIR}"/ccpnmr/ccpnmr3.0/
+
+#TODO:
+#install in sane place
+#unbundle data model
+#unbundle inchi
+#parallel build
+
+pkg_setup() {
+	python_set_active_version 2
+	python_pkg_setup
+}
+
+src_install() {
+	local in_path=$(python_get_sitedir)/${PN}
+	local _file
+
+	find . -name "*.pyc" -type f -delete
+	dodir /usr/bin
+	sed \
+	-e "s|gentoo_sitedir|${EPREFIX}$(python_get_sitedir)|g" \
+	-e "s|gentoolibdir|${EPREFIX}/usr/${libdir}|g" \
+	-e "s|gentootk|${EPREFIX}/usr/${libdir}/tk${tkver}|g" \
+	-e "s|gentootcl|${EPREFIX}/usr/${libdir}/tclk${tkver}|g" \
+	-e "s|gentoopython|$(PYTHON -a)|g" \
+	-e "s|gentoousr|${EPREFIX}/usr|g" \
+	-e "s|//|/|g" \
+		"${FILESDIR}"/${PN} > "${ED}"/usr/bin/${PN} || die
+	fperms 755 /usr/bin/${PN}
+
+	insinto ${in_path}
+
+	rm -rf cNg license || die
+
+	ebegin "Installing main files"
+		doins -r *
+	eend
+}
+
+pkg_postinst() {
+	python_mod_optimize ${PN}
+}
+
+pkg_postrm() {
+	python_mod_cleanup ${PN}
+}

diff --git a/sci-chemistry/chemBuild/files/chemBuild b/sci-chemistry/chemBuild/files/chemBuild
new file mode 100644
index 0000000..c6d3d31
--- /dev/null
+++ b/sci-chemistry/chemBuild/files/chemBuild
@@ -0,0 +1,9 @@
+#!/bin/bash
+
+export CCPNMR_TOP_DIR=gentoo_sitedir
+export PYTHONPATH=.:${CCPNMR_TOP_DIR}/chemBuild/python
+export LD_LIBRARY_PATH=gentoolibdir
+export TCL_LIBRARY=gentootcl
+export TK_LIBRARY=gentootk
+export PSIPRED_DIR=gentoousr
+gentoopython -O ${CCPNMR_TOP_DIR}/chemBuild/python/ccpnmr/chemBuild/ChemBuild.py $@

diff --git a/sci-chemistry/chemBuild/metadata.xml b/sci-chemistry/chemBuild/metadata.xml
new file mode 100644
index 0000000..d369d06
--- /dev/null
+++ b/sci-chemistry/chemBuild/metadata.xml
@@ -0,0 +1,5 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+	<herd>sci</herd>
+</pkgmetadata>