Ecosyste.ms: Issues

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GitHub / MDAnalysis/mdaencore issues and pull requests

#71 - Encore.cluster very slow

Issue - State: open - Opened by khoroshyy 15 days ago

#69 - Remove x86_64 env build pin

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

#67 - numpy version not defined on wheel building

Issue - State: open - Opened by IAlibay 7 months ago

#66 - Update CI

Pull Request - State: closed - Opened by IAlibay 7 months ago - 3 comments

#65 - CI fails for Python 3.9

Issue - State: closed - Opened by orbeckst 8 months ago - 1 comment
Labels: bug, CI

#64 - encore.ces not running on multiple CPU cores

Issue - State: closed - Opened by des2037 9 months ago - 9 comments
Labels: documentation

#63 - Add new osx-arm64 running to GH Action CI

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

#62 - [BUG] ```ClusterCollection``` object has no attribute ```metadata```

Issue - State: open - Opened by HeetVekariya 11 months ago - 2 comments

#61 - aarch64 and osx-arm64 wheels

Issue - State: open - Opened by IAlibay 11 months ago - 5 comments

#60 - Encore Windows type fix

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

#60 - Encore Windows type fix

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

#59 - Port windows long fix

Issue - State: closed - Opened by orbeckst 12 months ago

#59 - Port windows long fix

Issue - State: closed - Opened by orbeckst 12 months ago

#57 - Update dependencies

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

#57 - Update dependencies

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

#56 - Missing dependencies in `pyproject.toml`

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

#56 - Missing dependencies in `pyproject.toml`

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

#55 - Fixed testing dependencies in deploy.yaml

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

#55 - Fixed testing dependencies in deploy.yaml

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

#54 - Bump up the PyPi upload version

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

#53 - Switch to versioningit

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

#53 - Switch to versioningit

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

#52 - release v1.0.0

Pull Request - State: closed - Opened by ianmkenney about 1 year ago - 5 comments
Labels: release

#52 - release v1.0.0

Pull Request - State: closed - Opened by ianmkenney about 1 year ago - 5 comments
Labels: release

#51 - Updated docs README

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

#51 - Updated docs README

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

#50 - docs: resolve links into MDAnalysis API docs

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

#50 - docs: resolve links into MDAnalysis API docs

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

#49 - Cleaning up API docs

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

#48 - update maintainers

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

#47 - adding new ENCORE maintainers

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

#46 - update installation instructions in docs

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

#46 - update installation instructions in docs

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

#45 - Update deployment for OIDC

Pull Request - State: closed - Opened by IAlibay about 1 year ago - 4 comments

#44 - Updated CHANGELOG

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

#43 - [DOCS] links to functions/classes are non-existent

Issue - State: closed - Opened by orbeckst about 1 year ago - 1 comment
Labels: bug, documentation

#42 - docs are missing content from MDAnalysis.analysis.encore

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

#41 - update CHANGELOG for 0.1.0

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

#41 - update CHANGELOG for 0.1.0

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

#40 - Provide consistent PRNG across encore

Issue - State: open - Opened by IAlibay about 1 year ago - 1 comment
Labels: enhancement

#40 - Provide consistent PRNG across encore

Issue - State: open - Opened by IAlibay about 1 year ago - 1 comment
Labels: enhancement

#39 - Various documentation issues

Issue - State: open - Opened by IAlibay about 1 year ago
Labels: documentation

#37 - Encore uses weak random numbers

Issue - State: open - Opened by kain88-de over 7 years ago - 2 comments
Labels: enhancement

#37 - Encore uses weak random numbers

Issue - State: open - Opened by kain88-de over 7 years ago - 2 comments
Labels: enhancement

#36 - two analysis/test_encore.py tests failing on Fedora 29 (rawhide)

Issue - State: open - Opened by rathann over 6 years ago - 1 comment
Labels: tests

#35 - five more tests fail when pytest is run with four parallel tasks on Fedora 29 (rawhide)

Issue - State: open - Opened by rathann over 6 years ago - 7 comments
Labels: tests

#34 - unittest failure for three encore.hes test (test_hes_to_self, test_hes, test_hes_align)

Issue - State: open - Opened by archxlith about 5 years ago - 4 comments
Labels: tests

#34 - unittest failure for three encore.hes test (test_hes_to_self, test_hes, test_hes_align)

Issue - State: open - Opened by archxlith about 5 years ago - 4 comments
Labels: tests

#33 - DBSCAN does not make outliers clear

Issue - State: open - Opened by lilyminium over 4 years ago - 2 comments

#32 - Clustering ensemble of in memory universes

Issue - State: open - Opened by fluver over 4 years ago
Labels: bug

#31 - MAINT: `ap.c` gcc optimization portability

Issue - State: open - Opened by tylerjereddy about 4 years ago - 2 comments

#30 - 'NCDFReader' object has no attribute 'timeseries' returned by encore.dres_convergence

Issue - State: closed - Opened by hothman almost 4 years ago - 3 comments

#29 - Test coverage for ENCORE needs to be increased

Issue - State: open - Opened by jbarnoud almost 3 years ago - 4 comments
Labels: tests

#28 - BUG, BLD: test_clustering_three_ensembles_two_identical fails on M1 Mac

Issue - State: open - Opened by tylerjereddy over 2 years ago - 2 comments
Labels: tests

#28 - BUG, BLD: test_clustering_three_ensembles_two_identical fails on M1 Mac

Issue - State: open - Opened by tylerjereddy over 2 years ago - 2 comments
Labels: tests

#27 - Using OpenMP parallelization on Windows 10

Issue - State: closed - Opened by tanoury1 over 2 years ago - 6 comments

#26 - Memory Error In Clustering

Issue - State: closed - Opened by cplateVT over 1 year ago - 7 comments

#25 - Compiling docs points to the wrong package install

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

#24 - Move old encore issues here

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

#23 - Conda-forge release?

Issue - State: closed - Opened by IAlibay about 1 year ago - 4 comments

#22 - Add cibuildwheel deployment

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

#22 - Add cibuildwheel deployment

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

#21 - Release v1.0.0

Issue - State: closed - Opened by ianmkenney over 1 year ago - 6 comments
Labels: release

#21 - Release v1.0.0

Issue - State: closed - Opened by ianmkenney over 1 year ago - 6 comments
Labels: release

#20 - Add cibuildwheels deployment

Issue - State: closed - Opened by IAlibay over 1 year ago

#20 - Add cibuildwheels deployment

Issue - State: closed - Opened by IAlibay over 1 year ago

#19 - bump up docutils in docs builds

Pull Request - State: closed - Opened by IAlibay over 1 year ago - 6 comments

#18 - Fix deprecated intersphinx_mapping dictionary use

Pull Request - State: closed - Opened by IAlibay over 1 year ago - 4 comments

#18 - Fix deprecated intersphinx_mapping dictionary use

Pull Request - State: closed - Opened by IAlibay over 1 year ago - 4 comments

#17 - Pinning sphinxcontrib-bibtex to v2.5.0

Pull Request - State: closed - Opened by ianmkenney over 1 year ago - 2 comments

#16 - remember to unpin sphinxcontrib-bibtex

Issue - State: open - Opened by ianmkenney over 1 year ago - 4 comments
Labels: documentation, CI

#15 - Changed package install instructions for codecov?

Pull Request - State: closed - Opened by ianmkenney over 1 year ago - 1 comment

#14 - Removed fast-math compiler flag in setup.py

Pull Request - State: closed - Opened by ianmkenney over 1 year ago - 1 comment

#13 - Change bibliography to footbibliography

Pull Request - State: closed - Opened by lilyminium over 1 year ago - 11 comments

#12 - bibtex bibliography should be footbibliography

Issue - State: closed - Opened by lilyminium over 1 year ago - 1 comment

#12 - bibtex bibliography should be footbibliography

Issue - State: closed - Opened by lilyminium over 1 year ago - 1 comment

#11 - Fix the docs badge

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

#10 - Unnecessary `data` package?

Issue - State: closed - Opened by ianmkenney over 1 year ago - 1 comment

#9 - Add ReadTheDocs

Issue - State: closed - Opened by lilyminium over 1 year ago - 3 comments

#8 - transfer encore documentation from MDAnalysis.analysis.encore to mdaencore

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

#8 - transfer encore documentation from MDAnalysis.analysis.encore to mdaencore

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

#7 - codecov badge shows 0%

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

#6 - Remove fast-math

Issue - State: closed - Opened by ianmkenney over 1 year ago - 1 comment

#6 - Remove fast-math

Issue - State: closed - Opened by ianmkenney over 1 year ago - 1 comment

#5 - Docs content

Pull Request - State: closed - Opened by ianmkenney over 1 year ago - 2 comments

#4 - Citation path in __init__.py

Issue - State: closed - Opened by ianmkenney over 1 year ago - 4 comments

#3 - Populate the `AUTHORS.md` file

Pull Request - State: closed - Opened by ianmkenney over 1 year ago - 1 comment

#3 - Populate the `AUTHORS.md` file

Pull Request - State: closed - Opened by ianmkenney over 1 year ago - 1 comment

#2 - Populate authors file

Issue - State: closed - Opened by ianmkenney over 1 year ago

#2 - Populate authors file

Issue - State: closed - Opened by ianmkenney over 1 year ago

#1 - MDAnalysis documentation style

Pull Request - State: closed - Opened by ianmkenney over 1 year ago - 5 comments

#1 - MDAnalysis documentation style

Pull Request - State: closed - Opened by ianmkenney over 1 year ago - 5 comments