sci-chemistry / GromacsWrapper

Python framework for Gromacs

Official package sites : https://gromacswrapper.readthedocs.io ·

v0.8.0-r1 :: 0 :: gentoo

Modified
License
GPL-3 LGPL-3
Keywords
~amd64 ~x86
USE flags
test

General

test
Enable dependencies and/or preparations necessary to run tests (usually controlled by FEATURES=test but can be toggled independently)

python_targets

python3_8
Build with Python 3.8
python3_9
Build with Python 3.9

dev-lang / python : An interpreted, interactive, object-oriented programming language

dev-lang / python-exec : Python script wrapper

dev-python / matplotlib : Pure python plotting library with matlab like syntax

dev-python / numpy : Fast array and numerical python library

dev-python / six : Python 2 and 3 compatibility library

sci-libs / numkit : Numerical first aid kit (with numpy/scipy)

741214
sci-chemistry/GromacsWrapper-0.8.0 fails tests
Repository mirror & CI · gentoo
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Pacho Ramos · gentoo
sci-chemistry/GromacsWrapper: Support newer python versions
Package-Manager: Portage-3.0.18, Repoman-3.0.3 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
Repository mirror & CI · gentoo
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Sam James · gentoo
sci-chemistry/GromacsWrapper: fix RDEPEND typo
Signed-off-by: Sam James <sam@gentoo.org>
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Sam James · gentoo
sci-chemistry/GromacsWrapper: fix variable references
Package-Manager: Portage-3.0.14-prefix, Repoman-3.0.2 Signed-off-by: Sam James <sam@gentoo.org>
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Sam James · gentoo
sci-chemistry/GromacsWrapper: fix double KEYWORDS
Double KEYWORDS lines break tools like ekeyword and Nattka. As per PMS, blank/empty KEYWORDS is implied by not defining the variable. See: https://projects.gentoo.org/qa/policy-guide/ebuild-format.html#pg0105 Package-Manager: Portage-3.0.14, Repoman-3.0.2 Signed-off-by: Sam James <sam@gentoo.org>
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Michał Górny · gentoo
*/*: Remove obsolete values from PYTHON_COMPAT
Signed-off-by: Michał Górny <mgorny@gentoo.org>
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Pacho Ramos · gentoo
sci-chemistry/GromacsWrapper: Don't install tests package
Also run tests Thanks-to: Tupone Alfredo Closes: https://bugs.gentoo.org/701784 Package-Manager: Portage-2.3.100, Repoman-2.3.22 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
Repository mirror & CI · gentoo
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Michał Górny · gentoo
sci-chemistry/GromacsWrapper: Remove Python 2
Signed-off-by: Michał Górny <mgorny@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Michał Górny · gentoo
*/*: Clean PYTHON_COMPAT of obsolete impls
Closes: https://github.com/gentoo/gentoo/pull/14246 Signed-off-by: Michał Górny <mgorny@gentoo.org>
Repository mirror & CI · gentoo
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Alexey Shvetsov · gentoo
sci-chemistry/GromacsWrapper: Version bump
Package-Manager: Portage-2.3.72, Repoman-2.3.17 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Alexey Shvetsov · gentoo
sci-chemistry/GromacsWrapper: Version bump
Package-Manager: Portage-2.3.47, Repoman-2.3.10
David Hicks · gentoo
sci-chemistry/GromacsWrapper: use HTTPS for GitHub
Package-Manager: Portage-2.3.6, Repoman-2.3.3
Robin H. Johnson · gentoo
Drop $Id$ per council decision in bug #611234.
Signed-off-by: Robin H. Johnson <robbat2@gentoo.org>
Alexey Shvetsov · gentoo
sci-chemistry/GromacsWrapper: Version bump
Package-Manager: portage-2.3.0
Justin Lecher · gentoo
Use https by default
Convert all URLs for sites supporting encrypted connections from http to https Signed-off-by: Justin Lecher <jlec@gentoo.org>
Robin H. Johnson · gentoo
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