MDAnalysis/membrane-curvature issues and pull requests

#132 - update conda env files

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

#131 - update tested python versions

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

#130 - CI: adjust tested Python versions

Issue - State: closed - Opened by orbeckst 4 months ago

#129 - updated codecov CI action

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

#128 - Codecov not working

Issue - State: closed - Opened by hmacdope 5 months ago

#127 - No module named 'membrane_curvature.base

Issue - State: open - Opened by neubergmi 8 months ago - 2 comments

#126 - Fix deployment workflow

Pull Request - State: closed - Opened by IAlibay 10 months ago - 1 comment

#125 - Update the changelog

Pull Request - State: closed - Opened by IAlibay 11 months ago - 2 comments

#124 - Add deployment workflow

Pull Request - State: closed - Opened by IAlibay 11 months ago - 4 comments

#123 - PyPi wheels & sdist contain extra user generated files & breaking tests

Issue - State: closed - Opened by IAlibay 11 months ago - 3 comments

#122 - Switch to MDA rtd sphinx theme

Pull Request - State: closed - Opened by ojeda-e 11 months ago - 6 comments

#121 - Switch to versioningit

Pull Request - State: closed - Opened by IAlibay 11 months ago

#120 - Add MDAnalysis sphinx theme

Issue - State: closed - Opened by ojeda-e 11 months ago

#119 - Comply with PEP518

Pull Request - State: closed - Opened by ojeda-e 11 months ago - 8 comments

#118 - Make a minor release

Issue - State: closed - Opened by IAlibay 11 months ago - 1 comment

#117 - Add an AUTHORS file

Issue - State: closed - Opened by IAlibay 11 months ago - 1 comment

#116 - Compute gradients with respect to grid spacing

Pull Request - State: closed - Opened by ctlee about 1 year ago - 7 comments

#115 - Gradient calculation should respect arbitrary grid spacing

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

#114 - Try fixing rtd

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

#113 - Try fixing rtd

Pull Request - State: closed - Opened by lilyminium about 1 year ago - 2 comments

#112 - FIx CI

Pull Request - State: closed - Opened by IAlibay about 1 year ago - 9 comments

#111 - Add cron trigger for CI

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

#110 - link to blog post in docs broken

Issue - State: closed - Opened by orbeckst over 1 year ago
Labels: documentation

#109 - MembraneCurvature very slow with low number of frames

Issue - State: open - Opened by cyril-schroeder-ox over 1 year ago - 1 comment

#108 - PEP518 compliance, add a pyproject.toml

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

#107 - Conda release?

Issue - State: closed - Opened by hmacdope about 2 years ago - 6 comments
Labels: Release Task

#106 - Delete invalid classifier

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

#105 - Error in trover classifier

Issue - State: closed - Opened by ojeda-e about 2 years ago
Labels: Release Task

#104 - Modernize setup to comply with PEP518

Issue - State: closed - Opened by ojeda-e about 2 years ago - 1 comment
Labels: Maintainability

#103 - Add py311 to CI and towards NEP29

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

#102 - Updated logger.warn - deprecation warning

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

#101 - Add 3.11 to CI

Issue - State: closed - Opened by ojeda-e about 2 years ago
Labels: Release Task

#100 - Updated Changelog and README

Pull Request - State: closed - Opened by ojeda-e about 2 years ago - 5 comments

#99 - Added metadata as Trove classifiers

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

#98 - Add trove classifiers

Issue - State: closed - Opened by ojeda-e about 2 years ago
Labels: Release Task

#97 - Update Changelog and README

Issue - State: closed - Opened by ojeda-e about 2 years ago - 1 comment
Labels: Release Task

#96 - Deprecation warning in base

Issue - State: closed - Opened by ojeda-e about 2 years ago

#95 - Trigger explicit warning when out of boundaries only once

Pull Request - State: closed - Opened by ojeda-e about 2 years ago - 4 comments
Labels: Performance

#94 - Add Python 3.10 support

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

#93 - Add python 3.10 support

Issue - State: closed - Opened by ojeda-e about 2 years ago
Labels: Continuous Integration

#92 - register membrane-curvature as an MDAKit

Issue - State: closed - Opened by hmacdope over 2 years ago - 8 comments

#91 - Added initial AVS benchmark

Pull Request - State: open - Opened by ojeda-e over 2 years ago - 1 comment
Labels: Performance

#90 - docstring error

Pull Request - State: closed - Opened by ghost over 2 years ago - 1 comment

#89 - Fixed plots in documentation pages (transposed arrays).

Pull Request - State: closed - Opened by ojeda-e almost 3 years ago - 3 comments
Labels: documentation

#88 - Examples in documentation show incorrect plots.

Issue - State: closed - Opened by ojeda-e almost 3 years ago - 1 comment
Labels: bug, documentation

#87 - Issue with the Warnings

Issue - State: closed - Opened by bhavaygg almost 3 years ago - 2 comments

#86 - Warning messages significantly affect performance

Issue - State: closed - Opened by ojeda-e about 3 years ago - 1 comment
Labels: Performance

#85 - Added CITATION.cff

Pull Request - State: closed - Opened by ojeda-e about 3 years ago - 2 comments
Labels: Release Task

#84 - Benchmark performance

Issue - State: open - Opened by ojeda-e about 3 years ago
Labels: Performance

#83 - Added logger to surface warning messages.

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

#82 - Added membrane curvature units info to docstrings

Pull Request - State: closed - Opened by ojeda-e about 3 years ago - 4 comments

#81 - Added changelog and description in setup.py

Pull Request - State: closed - Opened by ojeda-e about 3 years ago - 2 comments

#80 - Curvature docstrings don't include units

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

#79 - Warning messages not logged

Issue - State: closed - Opened by ojeda-e about 3 years ago

#78 - Updated tutorial membrane-only system.

Pull Request - State: closed - Opened by ojeda-e about 3 years ago - 18 comments

#77 - To do for next release

Issue - State: closed - Opened by ojeda-e about 3 years ago
Labels: documentation, Release Task

#76 - Added installation instructions to doc pages.

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

#75 - Fixed sign of mean curvature

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

#74 - Update tutorial membrane-only

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

#73 - Installation instructions missing in RTD

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

#72 - Fixed MembraneCurvature import in API docs

Pull Request - State: closed - Opened by ojeda-e about 3 years ago - 4 comments

#71 - Example in API docs displays incorrect import

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

#70 - Sign of mean curvature

Issue - State: closed - Opened by lilyminium about 3 years ago - 1 comment
Labels: bug

#69 - Added ipynb tutorial - membrane-protein.

Pull Request - State: closed - Opened by ojeda-e over 3 years ago - 36 comments

#68 - Missing tutorial membrane-protein system

Issue - State: closed - Opened by ojeda-e over 3 years ago
Labels: documentation

#67 - Added installation via pip

Pull Request - State: closed - Opened by ojeda-e over 3 years ago - 8 comments

#66 - Add installation instructions via pip

Issue - State: closed - Opened by ojeda-e over 3 years ago
Labels: documentation

#65 - Updated README

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

#64 - Added ipynb tutorial

Pull Request - State: closed - Opened by ojeda-e over 3 years ago - 20 comments

#63 - Incomplete documentation 3/3

Issue - State: closed - Opened by ojeda-e over 3 years ago
Labels: documentation

#62 - Updated docs pages

Pull Request - State: closed - Opened by ojeda-e over 3 years ago - 6 comments

#61 - updated license to GPLv3

Pull Request - State: closed - Opened by ojeda-e over 3 years ago - 2 comments

#60 - consistent license

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

#60 - consistent license

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

#59 - fix doc things

Pull Request - State: closed - Opened by orbeckst over 3 years ago - 5 comments

#58 - Incomplete documentation 2/3

Issue - State: closed - Opened by ojeda-e over 3 years ago
Labels: documentation

#57 - Updated API docs

Pull Request - State: closed - Opened by ojeda-e over 3 years ago - 3 comments

#56 - Incomplete Documentation 1/3 (API)

Issue - State: closed - Opened by ojeda-e over 3 years ago
Labels: documentation

#56 - Incomplete Documentation 1/3 (API)

Issue - State: closed - Opened by ojeda-e over 3 years ago
Labels: documentation

#55 - Updated Docs link in badge

Pull Request - State: closed - Opened by ojeda-e over 3 years ago - 2 comments

#54 - Installation instructions

Issue - State: closed - Opened by lilyminium over 3 years ago - 1 comment
Labels: documentation, Release Task

#53 - Documentation badge doesn't point to helpful docs

Issue - State: closed - Opened by lilyminium over 3 years ago - 1 comment
Labels: documentation

#53 - Documentation badge doesn't point to helpful docs

Issue - State: closed - Opened by lilyminium over 3 years ago - 1 comment
Labels: documentation

#52 - Surface Interpolation Function [Fixes Issue45]

Pull Request - State: closed - Opened by ojeda-e over 3 years ago - 5 comments

#51 - Possible CI solution [PR #49 target]

Pull Request - State: closed - Opened by IAlibay over 3 years ago - 6 comments

#50 - Exception in `surface.py` is never raised after adding coordinate wrapping.

Issue - State: closed - Opened by ojeda-e over 3 years ago - 3 comments
Labels: enhancement

#49 - MDA>=2.0.0 version added to `install_requires`

Pull Request - State: closed - Opened by ojeda-e over 3 years ago - 8 comments

#48 - Add coordinate wrapping

Pull Request - State: closed - Opened by ojeda-e over 3 years ago - 13 comments

#44 - Added explicit imports.

Pull Request - State: closed - Opened by ojeda-e over 3 years ago - 2 comments

#43 - AnalysisBase

Pull Request - State: closed - Opened by ojeda-e over 3 years ago - 17 comments

#40 - Added `derive_surface` and `get_positions` with tests.

Pull Request - State: closed - Opened by ojeda-e over 3 years ago - 6 comments

#38 - Requested changes to initial refactor

Pull Request - State: closed - Opened by ojeda-e over 3 years ago - 6 comments

#36 - Add pbc conditions to in mapping coordinates to grid.

Issue - State: closed - Opened by ojeda-e over 3 years ago - 17 comments
Labels: testing, refactoring

#35 - Define grid size for different box shapes.

Issue - State: closed - Opened by ojeda-e over 3 years ago - 2 comments
Labels: testing, refactoring

#34 - Initial refactor and test added [Fixes #33]

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

#31 - test core_def_all_beads added. [Issue #27]

Pull Request - State: closed - Opened by ojeda-e over 3 years ago - 10 comments

#30 - test core_fast added [Issue #28]

Pull Request - State: closed - Opened by ojeda-e over 3 years ago - 2 comments

#29 - Clean code. [Issue #26]

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

#25 - Docs build

Pull Request - State: closed - Opened by ojeda-e over 3 years ago - 6 comments

#23 - Name changed to `membrane_curvature` fixes #19

Pull Request - State: closed - Opened by ojeda-e over 3 years ago - 2 comments

GitHub / MDAnalysis/membrane-curvature issues and pull requests