commit: e20bb16d953a7ab13121fff12f30309c14d61c43
Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Thu Sep 3 11:04:13 2015 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Thu Sep 3 11:04:13 2015 +0000
URL: https://gitweb.gentoo.org/proj/sci.git/commit/?id=e20bb16d
sci-chemistry/NMRdyn: New package, ebuild written by me
Package-Manager: portage-2.2.20.1
Signed-off-by: Justin Lecher <jlec <AT> gentoo.org>
sci-chemistry/NMRdyn/NMRdyn-3.2.5.ebuild | 79 ++++++++++++++++++++++
.../NMRdyn/files/NMRdyn-3.2.5-redefinition.patch | 19 ++++++
sci-chemistry/NMRdyn/metadata.xml | 8 +++
3 files changed, 106 insertions(+)
diff --git a/sci-chemistry/NMRdyn/NMRdyn-3.2.5.ebuild
b/sci-chemistry/NMRdyn/NMRdyn-3.2.5.ebuild
new file mode 100644
index 0000000..8b6445f
--- /dev/null
+++ b/sci-chemistry/NMRdyn/NMRdyn-3.2.5.ebuild
@@ -0,0 +1,79 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+inherit eutils flag-o-matic qmake-utils toolchain-funcs
+
+MY_P="${PN}_${PV}"
+
+DESCRIPTION="NMR relaxation studies of protein association"
+HOMEPAGE="http://sourceforge.net/projects/nmrdyn/";
+SRC_URI="${MY_P}.tar.gz"
+
+SLOT="0"
+LICENSE="GPL-2"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="+qt4"
+
+RDEPEND="
+ sci-libs/gsl
+ qt4? (
+ dev-qt/qtcore:4
+ dev-qt/qtgui:4
+ )
+"
+DEPEND="${RDEPEND}
+ virtual/pkgconfig
+"
+
+RESTRICT="mirror fetch"
+
+S="${WORKDIR}"/${MY_P}
+
+pkg_nofetch() {
+ elog "Please contact the authors and get ${A}"
+}
+
+src_prepare() {
+ epatch "${FILESDIR}"/${P}-redefinition.patch
+ append-cppflags "$($(tc-getPKG_CONFIG) --cflags gsl)"
+ if use qt4; then
+ cd src/NMRdynGUI || die
+ cat >> NMRdynGUI.pro <<- EOF
+ INCLUDEPATH += "${S}"/src/algorithm/src
+ LIBS += $($(tc-getPKG_CONFIG) --libs gsl)
+ MOC_DIR = moc/
+ OBJECTS += ../objects/*.o
+ EOF
+ fi
+}
+
+src_configure() {
+ if use qt4; then
+ cd src/NMRdynGUI || die
+ eqmake4 NMRdynGUI.pro
+ fi
+}
+
+src_compile() {
+ emake \
+ -C src/algorithm \
+ CXX="$(tc-getCXX)" \
+ CPPFLAGS="${CPPFLAGS}" \
+ CXXFLAGS="${CXXFLAGS}" \
+ LDFLAGS="${LDFLAGS}" \
+ LIBS="$($(tc-getPKG_CONFIG) --libs gsl)"
+
+ if use qt4; then
+ cd src/NMRdynGUI || die
+ emake
+ fi
+}
+
+src_install() {
+ dobin ${PN} r1r2
+ use qt4 && dobin src/NMRdynGUI/${PN}GUI
+ dodoc HISTORY README_LINUX.txt NMRdynManual.doc README_gridsearch.txt
+}
diff --git a/sci-chemistry/NMRdyn/files/NMRdyn-3.2.5-redefinition.patch
b/sci-chemistry/NMRdyn/files/NMRdyn-3.2.5-redefinition.patch
new file mode 100644
index 0000000..f943dd8
--- /dev/null
+++ b/sci-chemistry/NMRdyn/files/NMRdyn-3.2.5-redefinition.patch
@@ -0,0 +1,19 @@
+ src/NMRdynGUI/src/BatchWizard.cpp | 4 ++--
+ 1 file changed, 2 insertions(+), 2 deletions(-)
+
+diff --git a/src/NMRdynGUI/src/BatchWizard.cpp
b/src/NMRdynGUI/src/BatchWizard.cpp
+index 653d8e6..e4a8c73 100755
+--- a/src/NMRdynGUI/src/BatchWizard.cpp
++++ b/src/NMRdynGUI/src/BatchWizard.cpp
+@@ -159,9 +159,9 @@ bool
+ BatchInputPage::isComplete ()
+ {
+ int n = workBook->count ();
+- for (int i = 0; i < n; i++)
++ for (int k = 0; k < n; k++)
+ {
+- WorkSheet *worksheet = workBook->getWorkSheet (i);
++ WorkSheet *worksheet = workBook->getWorkSheet (k);
+ int nRows = worksheet->rowCount();
+ int nCols = worksheet->columnCount();
+ int i, j;
diff --git a/sci-chemistry/NMRdyn/metadata.xml
b/sci-chemistry/NMRdyn/metadata.xml
new file mode 100644
index 0000000..c166166
--- /dev/null
+++ b/sci-chemistry/NMRdyn/metadata.xml
@@ -0,0 +1,8 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd";>
+<pkgmetadata>
+ <maintainer>
+ <email>[email protected]</email>
+ <name>Justin Lecher</name>
+ </maintainer>
+</pkgmetadata>
