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>j...@gentoo.org</email> + <name>Justin Lecher</name> + </maintainer> +</pkgmetadata>