Ecosyste.ms: Issues

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GitHub / MDAnalysis/distopia issues and pull requests

#179 - Improve dist array tests and protect against segfault.

Pull Request - State: closed - Opened by hmacdope 24 days ago - 1 comment

#178 - Re-add .__version__

Issue - State: closed - Opened by hmacdope 30 days ago - 1 comment

#177 - Submit to JOSS

Issue - State: open - Opened by hmacdope about 1 month ago

#176 - Add benchmarks for distance and self-distance array

Issue - State: open - Opened by hmacdope about 1 month ago

#175 - Add benchmarks for angles and dihedrals

Issue - State: open - Opened by hmacdope about 1 month ago

#174 - change name

Pull Request - State: closed - Opened by hmacdope about 1 month ago

#173 - remove all rpath shennaingans

Pull Request - State: closed - Opened by hmacdope about 1 month ago

#172 - Install opts notest

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

#171 - Add in stub MDA dihedral casting convention.

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

#170 - Fix distancearray result passing

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

#169 - Fix versioning by adding versioningit to CI

Pull Request - State: closed - Opened by hmacdope about 1 month ago

#168 - Make documentation and fix issues with `self-distance` array python layer

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

#167 - Re enable IDX testing.

Issue - State: open - Opened by hmacdope about 1 month ago

#166 - Nan aware `dihedrals`

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

#165 - [WIP] Idx python

Pull Request - State: open - Opened by hmacdope 2 months ago - 1 comment

#164 - IDX code path where N < Vec width is segfaulting.

Issue - State: open - Opened by hmacdope 2 months ago

#163 - Remove windows from build matrix

Pull Request - State: closed - Opened by hmacdope 3 months ago

#162 - Add benchmarks of IDX variants.

Issue - State: open - Opened by hmacdope 3 months ago - 1 comment

#161 - Add DihedralsIDX

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

#160 - Idx variants

Pull Request - State: closed - Opened by richardjgowers 4 months ago

#159 - added docs skeleton

Pull Request - State: closed - Opened by richardjgowers 4 months ago

#157 - Self distance array Py

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

#156 - Try fix windows.

Pull Request - State: closed - Opened by hmacdope 4 months ago - 6 comments

#155 - Fix CI

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

#153 - Fix windows build

Issue - State: open - Opened by hmacdope 4 months ago - 2 comments

#152 - Export C++ CMake target for external linking

Issue - State: open - Opened by hmacdope 4 months ago

#151 - Dihedral NaN behavour is not the same as MDAnalysis

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

#150 - Consider making triclinic loop counters `size_t`

Issue - State: open - Opened by hmacdope about 1 year ago

#149 - Avoid osx-arm64 macos-14 runners in CI

Pull Request - State: closed - Opened by IAlibay 7 months ago - 2 comments

#148 - Fix packaging

Pull Request - State: closed - Opened by hmacdope 10 months ago - 2 comments

#147 - Complete refactor of distopia using highway for 0.3.0 (target MDAnalysis 3.0)

Issue - State: closed - Opened by hmacdope about 1 year ago - 6 comments

#146 - [WIP] Switch docs to new mdanalysis-sphinx-theme

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

#145 - NEP29

Issue - State: closed - Opened by IAlibay about 1 year ago - 2 comments

#144 - Cython 3.0

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

#143 - Add CI cron job

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

#142 - Feat distance array

Pull Request - State: closed - Opened by richardjgowers about 2 years ago - 1 comment

#141 - add some cmake support

Pull Request - State: closed - Opened by richardjgowers about 2 years ago - 1 comment

#140 - Rename workflow action to not be `Cmake`

Issue - State: closed - Opened by hmacdope about 2 years ago - 1 comment

#139 - Add pytest for testing python API

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

#138 - Test the python API with PyTest

Issue - State: closed - Opened by hmacdope about 2 years ago

#137 - Change to inplace API.

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

#136 - X86 in README

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

#134 - Add default dispatch build to CI

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

#133 - Add enums to properly use function dispatch flags

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

#130 - Use enums rather than raw integer flags in dispatcher.

Issue - State: closed - Opened by hmacdope about 2 years ago

#129 - Move to inplace API rather than allocating ourselves?

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

#128 - Change install-requires to only have runtime deps

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

#127 - [wip] Add deploy workflow

Pull Request - State: closed - Opened by IAlibay about 2 years ago - 1 comment

#126 - Fix description type

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

#125 - Change default build to be DISPATCH

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

#124 - Fix issues with manifest

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

#123 - Fixrpath linux

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

#122 - Fix rpath on linux

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

#121 - Add dispatch pyflags

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

#120 - Investigate issues with pip installing in Windows

Issue - State: closed - Opened by IAlibay about 2 years ago - 2 comments

#119 - make extra clear in docs that we only support x86_64

Issue - State: closed - Opened by hmacdope about 2 years ago

#118 - Fix rpath on linux

Issue - State: closed - Opened by hmacdope about 2 years ago

#117 - Switch dispatch build to be default?

Issue - State: closed - Opened by hmacdope about 2 years ago

#116 - Current build/deploy workflow

Issue - State: open - Opened by hmacdope about 2 years ago - 3 comments

#115 - Set numpy build requirements, drop py3.7

Pull Request - State: closed - Opened by IAlibay about 2 years ago - 13 comments

#114 - Fix macos linking with @loader path

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

#113 - Macos rpath again

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

#112 - Macos RPATH

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

#111 - FIx issues with manifest

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

#110 - Setup for pypi

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

#109 - Packaging stuff

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

#108 - Msvc support

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

#107 - Add versioneer

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

#106 - Fix tests and limits

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

#105 - Move to using VCL fremainder

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

#104 - Fix link pathing in docs

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

#103 - Update everything to Distopia2

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

#102 - Include limits in googlebench

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

#101 - Relicensing

Issue - State: closed - Opened by hmacdope over 2 years ago - 6 comments

#100 - Refactor tests to avoid code repitition

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

#98 - Design document

Pull Request - State: closed - Opened by hmacdope about 3 years ago - 2 comments
Labels: documentation

#97 - Make logo distinct from MDA logo

Issue - State: open - Opened by hmacdope about 3 years ago - 1 comment
Labels: documentation

#96 - Change to MDAnalysis theme for docs

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

#95 - add sphinx config

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

#94 - add rtd theme to conf.py

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

#93 - fix name to docs

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

#92 - Add docs CI and deployment

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

#91 - Create shim for trig functions.

Issue - State: closed - Opened by hmacdope about 3 years ago - 1 comment
Labels: core, performance

#90 - Make cython API actually wrap core functions + add numpy support

Issue - State: closed - Opened by hmacdope about 3 years ago - 1 comment
Labels: core, performance

#89 - clock_gettime causing troubles

Issue - State: closed - Opened by richardjgowers about 3 years ago - 2 comments

#88 - Support ARM

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

#87 - Documentation deployment

Issue - State: closed - Opened by hmacdope about 3 years ago
Labels: documentation

#86 - Documentation CI

Issue - State: closed - Opened by hmacdope about 3 years ago
Labels: documentation

#85 - Add start of docs with breathe, a combination of Doxygen C++ docs and sphinx docs

Pull Request - State: closed - Opened by hmacdope about 3 years ago - 1 comment
Labels: documentation

#84 - Need documentation

Issue - State: closed - Opened by hmacdope about 3 years ago
Labels: documentation

#83 - Clean up headers, include and API setup.

Pull Request - State: closed - Opened by hmacdope about 3 years ago - 1 comment
Labels: core, refactor

#82 - some files prefixed x86 are/should be platform agnostic

Issue - State: closed - Opened by hmacdope about 3 years ago - 2 comments

#81 - Update readme, add clang-format file and remove old coordinate generator.

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

#79 - Add clang-format config file.

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

#78 - Add benchmarks for angles

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