sci-chemistry / MDAnalysis

A python library to analyze and manipulate molecular dynamics trajectories

Official package sites : https://www.mdanalysis.org ·

v1.0.0 :: 0 :: gentoo

Modified
License
GPL-2
Keywords
~amd64 ~amd64-linux ~x86 ~x86-linux
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_7
Build with Python 3.7
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 / GridDataFormats : Reading and writing of data on regular grids in Python

dev-python / duecredit : Publications (and donations) tracer

dev-python / gsd : GSD - file format specification and a library to read and write it

dev-python / joblib : Tools to provide lightweight pipelining in Python

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

dev-python / mmtf-python : The python implementation of the MMTF API, decoder and encoder

dev-python / mock : Rolling backport of unittest.mock for all Pythons

dev-python / netcdf4-python : Python/numpy interface to the netCDF C library

dev-python / networkx : Python tools to manipulate graphs and complex networks

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

dev-python / scipy : Scientific algorithms library for Python

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

dev-python / tqdm : Add a progress meter to your loops in a second

sci-biology / biopython : Python modules for computational molecular biology

765160
sci-chemistry/MDAnalysis-1.0.0 fails tests
Repository mirror & CI · gentoo
Merge updates from master
Michał Górny · gentoo
*/*: Remove obsolete values from PYTHON_COMPAT
Signed-off-by: Michał Górny <mgorny@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Jakov Smolic · gentoo
sci-chemistry/MDAnalysis: Remove old
Signed-off-by: Jakov Smolic <jakov.smolic@sartura.hr> Signed-off-by: David Seifert <soap@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Pacho Ramos · gentoo
sci-chemistry/MDAnalysis: Bump to 1.0.0
Package-Manager: Portage-3.0.12, Repoman-3.0.2 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Michał Górny · gentoo
Move {sci-libs → dev-python}/scipy
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
Merge updates from master
David Seifert · gentoo
sci-chemistry/MDAnalysis: Remove Py2
Package-Manager: Portage-2.3.83, Repoman-2.3.20 Signed-off-by: David Seifert <soap@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Alexey Shvetsov · gentoo
sci-chemistry/MDAnalysis: move to py3.7 and eapi7
Package-Manager: Portage-2.3.79, Repoman-2.3.18 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Alexey Shvetsov · gentoo
sci-chemistry/MDAnalysis: Version bump
Package-Manager: Portage-2.3.40, Repoman-2.3.9