MDAnalysis/pytng issues and pull requests

#114 - Bump for py3.13

Pull Request - State: open - Opened by IAlibay 16 days ago

#113 - Bump actions/download-artifact from 2 to 4.1.7 in /.github/workflows

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago
Labels: dependencies

#112 - Make a np 2.0 compatible release for pytng

Issue - State: open - Opened by IAlibay 5 months ago - 2 comments

#111 - BLD: build wheels against NumPy 2.0.0

Pull Request - State: closed - Opened by tylerjereddy 5 months ago
Labels: installation

#110 - Pin action runners to to macos-13 / x86_64

Pull Request - State: closed - Opened by IAlibay 7 months ago - 1 comment

#109 - Add new mdanalysis theme + RTD on PR

Pull Request - State: closed - Opened by IAlibay about 1 year ago - 5 comments

#108 - Release 0.3.1 of PyTNG

Issue - State: closed - Opened by IAlibay about 1 year ago - 13 comments

#107 - Add a deployment pipeline

Pull Request - State: closed - Opened by IAlibay about 1 year ago - 5 comments

#106 - Modernise build a bit and switch to versioningit

Pull Request - State: closed - Opened by IAlibay about 1 year ago

#105 - NEP29 + Py312

Pull Request - State: closed - Opened by IAlibay about 1 year ago - 3 comments

#104 - versioneer doesn't like py3.12

Issue - State: closed - Opened by richardjgowers about 1 year ago

#103 - Tarball size is very large for project size

Issue - State: open - Opened by IAlibay almost 2 years ago - 6 comments

#102 - Remove deprecated np.bool.

Pull Request - State: closed - Opened by hmacdope almost 2 years ago

#101 - Add pyproject.toml and drop support for python < 3.8

Pull Request - State: closed - Opened by hmacdope almost 2 years ago - 3 comments

#100 - Do proper github tagged release on pip and conda

Issue - State: closed - Opened by hmacdope almost 2 years ago - 2 comments
Labels: release

#99 - Add pyproject.toml for build requirements

Issue - State: closed - Opened by IAlibay almost 2 years ago
Labels: CI

#98 - Update CI, check everything runs up to py3.11

Pull Request - State: closed - Opened by IAlibay almost 2 years ago - 2 comments

#97 - Make FileIterator pickle-able.

Issue - State: open - Opened by hmacdope over 2 years ago

#96 - Fix edge case for reading blocks with stride length >= nsteps

Pull Request - State: closed - Opened by hmacdope over 2 years ago - 1 comment
Labels: bug

#95 - data frames attribute does not appear to work for all files.

Issue - State: closed - Opened by hmacdope over 2 years ago - 4 comments

#94 - Fix zlib install to be bundled with source

Pull Request - State: closed - Opened by hmacdope almost 3 years ago - 2 comments

#93 - fix bug in frame read (chemfiles #425)

Pull Request - State: closed - Opened by hmacdope almost 3 years ago - 8 comments

#92 - Possible issues with tng_util_trajectory_next_frame_present_data_blocks_find

Issue - State: closed - Opened by hmacdope about 3 years ago
Labels: bug, upstream

#91 - build sitemap.xml WITHOUT version information in links

Pull Request - State: closed - Opened by orbeckst about 3 years ago

#90 - generated sitemap.xml contains wrong links

Issue - State: closed - Opened by orbeckst about 3 years ago
Labels: bug, docs

#89 - Variable numbers of atoms between frames

Issue - State: open - Opened by hmacdope about 3 years ago
Labels: enhancement

#88 - Blocks not on the first block are not detected.

Issue - State: open - Opened by hmacdope about 3 years ago
Labels: bug, enhancement

#87 - Zlib win fix

Pull Request - State: closed - Opened by hmacdope about 3 years ago - 3 comments
Labels: installation

#86 - Zlib windows fix.

Pull Request - State: closed - Opened by hmacdope about 3 years ago - 3 comments

#85 - Windows is broken

Issue - State: closed - Opened by hmacdope over 3 years ago - 1 comment

#84 - Add zlib from conda

Pull Request - State: closed - Opened by hmacdope over 3 years ago - 1 comment

#83 - Add zlib local build

Pull Request - State: closed - Opened by hmacdope over 3 years ago - 1 comment

#82 - Add windows CI (failing)

Pull Request - State: closed - Opened by hmacdope over 3 years ago

#81 - Add MacOS build to CI

Pull Request - State: closed - Opened by hmacdope over 3 years ago

#80 - MAINT: Switch from Travis to Github actions as CI providers

Issue - State: closed - Opened by IAlibay almost 4 years ago - 5 comments

#79 - Remove linetrace and profile flags

Pull Request - State: closed - Opened by hmacdope about 4 years ago - 1 comment

#78 - remove pytng.c from being included in manifest

Pull Request - State: closed - Opened by hmacdope about 4 years ago - 1 comment

#77 - Fix manifest includes

Pull Request - State: closed - Opened by hmacdope about 4 years ago - 1 comment

#76 - UTF8 text in TNG file internals

Issue - State: open - Opened by hmacdope about 4 years ago

#75 - Fix typo

Pull Request - State: closed - Opened by hmacdope about 4 years ago - 1 comment

#74 - Add test for UTF8 special char

Pull Request - State: closed - Opened by hmacdope about 4 years ago - 4 comments

#73 - Add detection of variable number of particles

Pull Request - State: closed - Opened by hmacdope about 4 years ago - 1 comment

#72 - Add dynamic docs versioning and hide toctree

Pull Request - State: closed - Opened by hmacdope about 4 years ago - 1 comment

#71 - Add test for NaNs on reverse index

Pull Request - State: closed - Opened by hmacdope about 4 years ago - 1 comment

#70 - add on stride check in lower level method

Pull Request - State: closed - Opened by hmacdope about 4 years ago - 1 comment

#69 - positions does not reset to NAN when accessing no-data steps with negative indices

Issue - State: closed - Opened by orbeckst about 4 years ago - 7 comments
Labels: bug

#68 - hide table of contents in docs

Issue - State: closed - Opened by orbeckst about 4 years ago
Labels: docs

#67 - update version in docs

Issue - State: closed - Opened by orbeckst about 4 years ago
Labels: docs

#66 - add long description

Pull Request - State: closed - Opened by hmacdope about 4 years ago - 2 comments

#65 - No long description on PyPi

Issue - State: closed - Opened by hmacdope about 4 years ago

#64 - Fix impartial distribution by MANIFEST

Pull Request - State: closed - Opened by hmacdope about 4 years ago - 1 comment

#63 - Add doc build to travis

Pull Request - State: closed - Opened by hmacdope about 4 years ago - 2 comments

#62 - Add versioneer version information

Pull Request - State: closed - Opened by hmacdope about 4 years ago - 2 comments

#61 - build_sphinx is not working

Issue - State: closed - Opened by hmacdope about 4 years ago - 7 comments
Labels: bug, docs

#60 - Fix broken docs (WIP)

Pull Request - State: closed - Opened by hmacdope about 4 years ago - 4 comments

#59 - Docs broken again.

Issue - State: closed - Opened by hmacdope about 4 years ago - 1 comment
Labels: bug

#58 - Add a test for doc build to travis CI

Issue - State: closed - Opened by hmacdope about 4 years ago - 1 comment
Labels: enhancement, cleanup

#57 - Add block list and update warning

Pull Request - State: closed - Opened by hmacdope about 4 years ago - 7 comments

#56 - user versioneer for version information

Issue - State: closed - Opened by orbeckst about 4 years ago

#55 - updated docs theme

Pull Request - State: closed - Opened by orbeckst about 4 years ago - 2 comments

#54 - update travis badge in README

Pull Request - State: closed - Opened by orbeckst about 4 years ago - 1 comment

#53 - migrate to travis-ci.com

Issue - State: closed - Opened by orbeckst about 4 years ago - 1 comment

#52 - update docs theme

Issue - State: closed - Opened by orbeckst about 4 years ago

#51 - update docs theme

Issue - State: closed - Opened by orbeckst about 4 years ago - 1 comment

#50 - Remove older API

Pull Request - State: closed - Opened by hmacdope about 4 years ago - 1 comment

#49 - Full list of blocks and block_ids should be available in the docs.

Issue - State: closed - Opened by hmacdope about 4 years ago
Labels: enhancement

#48 - Split read_success into more meaningful error messages and exceptions.

Issue - State: open - Opened by hmacdope about 4 years ago
Labels: bug

#47 - Use a bit array to indicate data present at each timestep.

Issue - State: open - Opened by hmacdope about 4 years ago
Labels: enhancement

#46 - Packaging for conda and pip

Issue - State: closed - Opened by hmacdope about 4 years ago - 4 comments
Labels: enhancement, installation

#45 - Check coverage of grand-canonical simulations.

Issue - State: closed - Opened by hmacdope about 4 years ago - 2 comments
Labels: bug, enhancement

#44 - Add molecule block reading

Issue - State: open - Opened by hmacdope about 4 years ago - 1 comment
Labels: enhancement

#43 - Remove old API

Issue - State: closed - Opened by hmacdope about 4 years ago
Labels: cleanup

#42 - Drop py2.7 support

Pull Request - State: closed - Opened by hmacdope over 4 years ago - 2 comments

#41 - Drop Py 2.7 support?

Issue - State: closed - Opened by hmacdope over 4 years ago - 2 comments

#40 - remove PEP8 check (plugin no longer supported)

Pull Request - State: closed - Opened by orbeckst over 4 years ago - 3 comments

#39 - tests on py 3.x fail with a pytest-pep8 related warning/failure

Issue - State: closed - Opened by orbeckst over 4 years ago - 2 comments

#38 - Change BlockReader API

Pull Request - State: closed - Opened by hmacdope over 4 years ago - 11 comments

#37 - Update tng source files to expose API to cython

Pull Request - State: closed - Opened by hmacdope over 4 years ago

#36 - Revert "Revert "Change TNG calls.""

Pull Request - State: closed - Opened by hmacdope over 4 years ago

#35 - I stuffed up history

Issue - State: closed - Opened by hmacdope over 4 years ago - 1 comment

#34 - Revert "Change TNG calls."

Pull Request - State: closed - Opened by hmacdope over 4 years ago

#33 - Build error on Python 3.8.5 Numpy 1.18.1 Cython 0.29.21

Issue - State: closed - Opened by hmacdope over 4 years ago - 3 comments
Labels: upstream

#32 - Cython block reader

Pull Request - State: closed - Opened by hmacdope over 4 years ago - 24 comments

#31 - TNG data should be read with a block iterator rather than with the TNG API

Issue - State: closed - Opened by hmacdope over 4 years ago

#30 - How to specify what data is read out at each frame?

Issue - State: closed - Opened by hmacdope over 4 years ago - 3 comments

#29 - Change TNG calls.

Pull Request - State: closed - Opened by hmacdope over 4 years ago - 21 comments

#28 - Update TNG sources and includes to reflect API bugfixes.

Pull Request - State: closed - Opened by hmacdope over 4 years ago - 3 comments

#27 - Fixing TNG iteration

Pull Request - State: closed - Opened by richardjgowers over 5 years ago - 7 comments

#26 - num_frames is broken

Issue - State: closed - Opened by richardjgowers over 5 years ago - 3 comments
Labels: upstream

#25 - Single allocation of positions array

Pull Request - State: closed - Opened by richardjgowers over 5 years ago - 1 comment

#24 - maybe osx will work....

Pull Request - State: closed - Opened by richardjgowers over 5 years ago - 1 comment

#23 - changed to use memoryview

Pull Request - State: closed - Opened by richardjgowers over 5 years ago - 2 comments

#22 - update tng version to 1.8

Pull Request - State: closed - Opened by kain88-de over 6 years ago - 1 comment

#21 - create sitemap.xml

Pull Request - State: closed - Opened by orbeckst over 6 years ago - 1 comment

#20 - create sitemap.xml for docs

Issue - State: closed - Opened by orbeckst over 6 years ago

#19 - Seek fix

Pull Request - State: closed - Opened by kain88-de about 7 years ago - 2 comments

#18 - [WIP] First try at TNG writing

Pull Request - State: open - Opened by jbarnoud over 7 years ago - 5 comments
Labels: enhancement

#17 - `PyTNG.tell` counts from 1

Issue - State: closed - Opened by jbarnoud over 7 years ago - 1 comment

#16 - `TNGFile.seek` does not reset `TNGFile.reached_eof`

Issue - State: closed - Opened by jbarnoud over 7 years ago - 2 comments

#15 - [WIP] Increase test coverage

Pull Request - State: closed - Opened by jbarnoud over 7 years ago - 2 comments

GitHub / MDAnalysis/pytng issues and pull requests