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author | Robin H. Johnson <robbat2@gentoo.org> | 2015-08-08 13:49:04 -0700 |
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committer | Robin H. Johnson <robbat2@gentoo.org> | 2015-08-08 17:38:18 -0700 |
commit | 56bd759df1d0c750a065b8c845e93d5dfa6b549d (patch) | |
tree | 3f91093cdb475e565ae857f1c5a7fd339e2d781e /sci-chemistry/nmrglue | |
download | gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.tar.gz gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.tar.bz2 gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.zip |
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/nmrglue')
-rw-r--r-- | sci-chemistry/nmrglue/Manifest | 2 | ||||
-rw-r--r-- | sci-chemistry/nmrglue/files/nmrglue-0.5-nohyper.patch | 33 | ||||
-rw-r--r-- | sci-chemistry/nmrglue/metadata.xml | 29 | ||||
-rw-r--r-- | sci-chemistry/nmrglue/nmrglue-0.4.ebuild | 25 | ||||
-rw-r--r-- | sci-chemistry/nmrglue/nmrglue-0.5-r1.ebuild | 36 |
5 files changed, 125 insertions, 0 deletions
diff --git a/sci-chemistry/nmrglue/Manifest b/sci-chemistry/nmrglue/Manifest new file mode 100644 index 000000000000..4eb824ac2a3b --- /dev/null +++ b/sci-chemistry/nmrglue/Manifest @@ -0,0 +1,2 @@ +DIST nmrglue-0.4-corrected.tar.gz 128298 SHA256 85c45750aef431f2c1326a9f4856eeac4da8aedbc94c6255de6e08e3ea35f316 SHA512 c2376ba8e8f993e6e4b536d67d4a780087ac8f811b2d5a846ff8b4785b02c0a4e86956c4205f90a17c5c0a2dc620d75fb7886fbad9cca314b548e3368137eda0 WHIRLPOOL eb8a2a5064b5fa5b60d16a70cf51667daa55f1584ed9d0ca3092af4672ed2c5cef56d135e82b35c107856d338fb0893248a1719b673a4e96c1edb2fb75243d08 +DIST nmrglue-0.5.tar.gz 142604 SHA256 a05c880bd0d5f0b388156409e18a5618742f829f2532d19970d05b11bfcc6103 SHA512 2a4b94eb6bae966000bfdee4dd16f4e312568915fb5f19f59f84c6deff690703f54f76366d3f9299f7ec187192ff64f2bf62836617a424d4c5c895c67d819af2 WHIRLPOOL 78f9d094a2ab1ebc01f452717fdc1cdeccc27951195c9dd6e97069a575722acf25442009b4ccede03ad728b0767fced4a2220a8072ccc1d604a9f62e9c45af4a diff --git a/sci-chemistry/nmrglue/files/nmrglue-0.5-nohyper.patch b/sci-chemistry/nmrglue/files/nmrglue-0.5-nohyper.patch new file mode 100644 index 000000000000..103f5b154d0b --- /dev/null +++ b/sci-chemistry/nmrglue/files/nmrglue-0.5-nohyper.patch @@ -0,0 +1,33 @@ +From ba1eee9e71623110511545c058afe2a92e139aa5 Mon Sep 17 00:00:00 2001 +From: Jonathan Helmus <jjhelmus@gmail.com> +Date: Tue, 3 Mar 2015 19:47:05 -0600 +Subject: [PATCH] pipe_proc.py tp function correctly sets FDSIZE. + +Fixes issue #27 +--- + nmrglue/process/pipe_proc.py | 7 +++++-- + 1 file changed, 5 insertions(+), 2 deletions(-) + +diff --git a/nmrglue/process/pipe_proc.py b/nmrglue/process/pipe_proc.py +index 79b6303..8c1271c 100644 +--- a/nmrglue/process/pipe_proc.py ++++ b/nmrglue/process/pipe_proc.py +@@ -1527,13 +1527,16 @@ def tp(dic, data, hyper=False, nohyper=False, auto=False, nohdr=False): + data = np.array(p.tp_hyper(data), dtype="complex64") + else: + data = p.tp(data) +- if dic[fn2 + "QUADFLAG"] != 1 and nohyper is not True: ++ if dic[fn2 + "QUADFLAG"] != 1 and nohyper is False: + # unpack complex as needed + data = np.array(p.c2ri(data), dtype="complex64") + + # update the dimentionality and order + dic["FDSLICECOUNT"] = data.shape[0] +- if data.dtype == 'float32': ++ if (data.dtype == 'float32') and (nohyper is True): ++ # when nohyper is True and the new last dimension was complex ++ # prior to transposing then FDSIZE is set as if the dimension was ++ # converted to complex data, that is half the actual size. + dic["FDSIZE"] = data.shape[1] / 2 + else: + dic["FDSIZE"] = data.shape[1] diff --git a/sci-chemistry/nmrglue/metadata.xml b/sci-chemistry/nmrglue/metadata.xml new file mode 100644 index 000000000000..d1c1fa8f0564 --- /dev/null +++ b/sci-chemistry/nmrglue/metadata.xml @@ -0,0 +1,29 @@ +<?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> +Nmrglue has the ability to read, write and convert between a number of NMR file +formats including Agilent/Varian, Bruker, NMRPipe, Sparky, SIMPSON, Rowland NMR +Toolkit files. The files, which are represented in Python as dictionaries of +spectral parameters and NumPy ndarray objects, can be easily examined, modified +and processed as desired. + +Nmrglue provides a number of functions for processing NMR data such as +apodization, spectral shifting, Fourier and other transformations, baseline +smoothing and flattening, and linear prediction modeling and extrapolation. +In addition new processing schemes can be implemented easily using the nmrglue +provided functions and the multitude of numerical routines provided by the NumPy +and SciPy packages. + +When used in conjunction with the matplotlib (or other) python plotting library +nmrglue can be used to create publication quality figures of NMR spectrum or +examine data interactively. +</longdescription> + <upstream> + <remote-id type="github">jjhelmus/nmrglue</remote-id> + </upstream> +</pkgmetadata> diff --git a/sci-chemistry/nmrglue/nmrglue-0.4.ebuild b/sci-chemistry/nmrglue/nmrglue-0.4.ebuild new file mode 100644 index 000000000000..d39fd44820ce --- /dev/null +++ b/sci-chemistry/nmrglue/nmrglue-0.4.ebuild @@ -0,0 +1,25 @@ +# Copyright 1999-2015 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=5 + +PYTHON_COMPAT=( python2_7 ) + +inherit distutils-r1 + +DESCRIPTION="A module for working with NMR data in Python" +HOMEPAGE="http://nmrglue.com/" +SRC_URI="https://nmrglue.googlecode.com/files/${P}-corrected.tar.gz" + +SLOT="0" +LICENSE="BSD" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="" + +RDEPEND=" + dev-python/ipython[${PYTHON_USEDEP}] + dev-python/matplotlib[${PYTHON_USEDEP}] + dev-python/numpy[${PYTHON_USEDEP}] + sci-libs/scipy[${PYTHON_USEDEP}]" +DEPEND="" diff --git a/sci-chemistry/nmrglue/nmrglue-0.5-r1.ebuild b/sci-chemistry/nmrglue/nmrglue-0.5-r1.ebuild new file mode 100644 index 000000000000..08dd91a5ab21 --- /dev/null +++ b/sci-chemistry/nmrglue/nmrglue-0.5-r1.ebuild @@ -0,0 +1,36 @@ +# Copyright 1999-2015 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=5 + +PYTHON_COMPAT=( python2_7 python3_{3,4} ) + +inherit distutils-r1 + +DESCRIPTION="A module for working with NMR data in Python" +HOMEPAGE="http://nmrglue.com/" +SRC_URI="https://github.com/jjhelmus/nmrglue/releases/download/v${PV}/${P}.tar.gz" + +SLOT="0" +LICENSE="BSD" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="test" + +RDEPEND=" + dev-python/ipython[${PYTHON_USEDEP}] + dev-python/matplotlib[${PYTHON_USEDEP}] + dev-python/numpy[${PYTHON_USEDEP}] + sci-libs/scipy[${PYTHON_USEDEP}]" +DEPEND=" + test? ( + ${RDEPEND} + dev-python/nose[${PYTHON_USEDEP}] + ) +" + +PATCHES=( "${FILESDIR}"/${P}-nohyper.patch ) + +python_test() { + nosetests --verbosity=3 || die +} |