sci-chemistry / mdtraj

Read, write and analyze MD trajectories with only a few lines of Python code

Official package sites : http://mdtraj.org ·

v1.9.4 :: 0 :: gentoo

Modified
License
GPL-2
Keywords
~amd64 ~amd64-linux ~x86 ~x86-linux
USE flags
test

v1.9.1 :: 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_6
Build with Python 3.6
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 / astor : Read/rewrite/write Python ASTs

dev-python / jupyter_client : Jupyter protocol implementation and client libraries

dev-python / nbformat : Reference implementation of the Jupyter Notebook format

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

dev-python / nose : Unittest extension with automatic test suite discovery and easy test authoring

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

dev-python / pandas : Powerful data structures for data analysis and statistics

dev-python / pytables : Hierarchical datasets for Python

dev-python / scipy : Scientific algorithms library for Python

dev-python / setuptools : Collection of extensions to Distutils

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

dev-lang / python-exec : Python script wrapper

dev-python / astor : Read/rewrite/write Python ASTs

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

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

dev-python / pandas : Powerful data structures for data analysis and statistics

dev-python / pytables : Hierarchical datasets for Python

dev-python / scipy : Scientific algorithms library for Python

dev-python / setuptools : Collection of extensions to Distutils

741320
sci-chemistry/mdtraj-1.9.4 fails to link with LLD because of /usr/lib in the link command line
Repository mirror & CI · gentoo
Merge updates from master
Alexey Shvetsov · gentoo
sci-chemistry/mdtraj: Works with py39
Package-Manager: Portage-3.0.8, Repoman-3.0.1 Signed-off-by: Alexey Shvetsov <alexxy@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
Pacho Ramos · gentoo
sci-chemistry/mdtraj: Bump to 1.9.4
Closes: https://bugs.gentoo.org/711696 Closes: https://bugs.gentoo.org/718478 Package-Manager: Portage-2.3.100, Repoman-2.3.22 Signed-off-by: Pacho Ramos <pacho@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
Andreas Sturmlechner · gentoo
sci-chemistry/mdtraj: Drop python2_7
Package-Manager: Portage-2.3.84, Repoman-2.3.20 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Michał Górny · gentoo
*/*: [QA] Fix trivial cases of MissingTestRestrict
The result was achieved via the following pipeline: pkgcheck scan -c RestrictTestCheck -R FormatReporter \ --format '{category}/{package}/{package}-{version}.ebuild' | xargs -n32 grep -L RESTRICT | xargs -n32 sed -i -e '/^IUSE=.*test/aRESTRICT="!test? ( test )"' The resulting metadata was compared before and after the change. Few Go ebuilds had to be fixed manually due to implicit RESTRICT=strip added by the eclass. Two ebuilds have to be fixed because of multiline IUSE. Suggested-by: Robin H. Johnson <robbat2@gentoo.org> Closes: https://github.com/gentoo/gentoo/pull/13942 Signed-off-by: Michał Górny <mgorny@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Alexey Shvetsov · gentoo
sci-chemistry/mdtraj: Fix newline
Package-Manager: Portage-2.3.40, Repoman-2.3.9
Repository mirror & CI · gentoo
Merge updates from master
Alexey Shvetsov · gentoo
sci-chemistry/mdtraj: Initial import
Package-Manager: Portage-2.3.41, Repoman-2.3.9