diff options
Diffstat (limited to 'sci-chemistry/xdsi')
| -rw-r--r-- | sci-chemistry/xdsi/Manifest | 1 | ||||
| -rw-r--r-- | sci-chemistry/xdsi/files/0.92-gentoo.patch | 27 | ||||
| -rw-r--r-- | sci-chemistry/xdsi/metadata.xml | 17 | ||||
| -rw-r--r-- | sci-chemistry/xdsi/xdsi-0.92-r1.ebuild | 54 |
4 files changed, 99 insertions, 0 deletions
diff --git a/sci-chemistry/xdsi/Manifest b/sci-chemistry/xdsi/Manifest new file mode 100644 index 00000000000..e33598d7936 --- /dev/null +++ b/sci-chemistry/xdsi/Manifest @@ -0,0 +1 @@ +DIST xdsi_0.92.tar.gz 886028 SHA256 416403f167d26b56965283b407783ea80927ace533df76e330b51ca37c9bb9e4 diff --git a/sci-chemistry/xdsi/files/0.92-gentoo.patch b/sci-chemistry/xdsi/files/0.92-gentoo.patch new file mode 100644 index 00000000000..f4a37ff1838 --- /dev/null +++ b/sci-chemistry/xdsi/files/0.92-gentoo.patch @@ -0,0 +1,27 @@ + xdsi | 6 +++--- + 1 files changed, 3 insertions(+), 3 deletions(-) + +diff --git a/xdsi b/xdsi +index cbedee8..1037913 100755 +--- a/xdsi ++++ b/xdsi +@@ -20,8 +20,8 @@ + #################################################################### + # These are the only two things you should change# + +-set Templates "/mydir/templates" +-set initial "/mydir/SLS-2009" ++set Templates "GENTOOTEMPLATE" ++set initial "./" + + + #################################################################### +@@ -121,7 +121,7 @@ your system administrator." + } + + +-CheckExecutables "kpdf gnuplot xds_par xdsstat xds-viewer-0.6 convert pointless ipmosflm VIEW" ++CheckExecutables "kpdf gnuplot xds_par xds-viewer convert pointless ipmosflm" + + #wm resizable . 0 0 + diff --git a/sci-chemistry/xdsi/metadata.xml b/sci-chemistry/xdsi/metadata.xml new file mode 100644 index 00000000000..431fb2be13b --- /dev/null +++ b/sci-chemistry/xdsi/metadata.xml @@ -0,0 +1,17 @@ +<?xml version="1.0" encoding="UTF-8"?> +<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> +<pkgmetadata> + <herd>sci-chemistry</herd> + <maintainer> + <email>jlec@gentoo.org</email> + </maintainer> + <longdescription> +XDSi offers you the possibility to process all your datasets in a given directory with minimum effort. +* You just have to provide it with a resultdirectory and the directory where your frames are stored. +* All datasets consisting of more than 100 frames within the given directory and all its subdirectories will be processed. +* For each dataset a space group assignment is done using POINTLESS of the CCP4 software package +* Plots of the most informative statistics of INTEGRATE.LP, CORRECT.LP and XDSSTAT.LP are generated for each dataset +* A plot comparing Rmeas, I/sig and Completeness of all the processed datasets is generated +* You can also generate plots for datasets that have been processed using XDS without XDSi +</longdescription> +</pkgmetadata> diff --git a/sci-chemistry/xdsi/xdsi-0.92-r1.ebuild b/sci-chemistry/xdsi/xdsi-0.92-r1.ebuild new file mode 100644 index 00000000000..6a6c9bb7ec8 --- /dev/null +++ b/sci-chemistry/xdsi/xdsi-0.92-r1.ebuild @@ -0,0 +1,54 @@ +# Copyright 1999-2015 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=5 + +inherit eutils + +DESCRIPTION="A crude interface for running the XDS" +HOMEPAGE="http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/Xdsi" +SRC_URI="ftp://turn5.biologie.uni-konstanz.de/pub/${PN}_${PV}.tar.gz" + +LICENSE="all-rights-reserved" +SLOT="0" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="" + +RDEPEND=" + app-text/mupdf + dev-lang/tk + || ( media-gfx/imagemagick media-gfx/graphicsmagick[imagemagick] ) + sci-chemistry/mosflm + sci-chemistry/pointless + sci-chemistry/xds-bin[smp] + sci-visualization/gnuplot + sci-visualization/xds-viewer" +# Need to clarified for licensing +# sci-chemistry/xdsstat-bin +DEPEND="" + +RESTRICT="mirror bindist" + +S="${WORKDIR}" + +src_prepare() { + epatch "${FILESDIR}"/${PV}-gentoo.patch + sed \ + -e "s:GENTOOTEMPLATE:${EPREFIX}/usr/share/${PN}/templates:g" \ + -e "s:kpdf:mupdf:g" \ + -e "s:xds-viewer-0.6:xds-viewer:g" \ + -i ${PN} || die +} + +src_install() { + dobin ${PN} + insinto /usr/share/${PN}/templates + doins templates/{*.INP,bohr*,fortran,pauli,info.png,*.pck,tablesf_xdsi} + dodoc templates/*.pdf +} + +pkg_postinst() { + elog "Documentation can be found here:" + elog "ftp://turn14.biologie.uni-konstanz.de/pub/xdsi/xdsi_doc_print.pdf" +} |