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MDAnalysis
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mdahole2
An MDAKit implementing a Python interface for the HOLE program.
https://www.mdanalysis.org/mdahole2/
GNU General Public License v3.0
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`MDAnalysis.analysis.hole2`: Implement parallelization or mark as unparallelizable
#60
marinegor
opened
3 weeks ago
1
fix ci, bump up python to 3.10+
#59
IAlibay
closed
1 month ago
1
Decouple CI
#58
lilyminium
closed
2 weeks ago
1
Setting hole as an executable when running through Conda in Windows
#57
Kuroiii-i
opened
5 months ago
0
CI fails for Python 3.9
#56
orbeckst
closed
1 month ago
1
make hole2 conda-forge package a dependency
#55
orbeckst
opened
6 months ago
5
Fix docs authors
#54
IAlibay
opened
7 months ago
2
Properly update paths in CI and metadata
#53
lilyminium
closed
7 months ago
0
Fix CI repository names
#52
IAlibay
closed
7 months ago
1
Redeploy 0.4.0
#51
IAlibay
closed
7 months ago
3
Update changelog for v0.4.0
#50
lilyminium
closed
7 months ago
0
In old AnalysisBase subclasses, self._trajectory is sometimes used instead of self._sliced_trajectory
#49
lilyminium
opened
8 months ago
0
Reorganize docs and some fixes
#48
lilyminium
closed
7 months ago
1
What should the package name be?
#47
IAlibay
closed
8 months ago
3
Add deploy workflow - no tests due to hole2 dep
#46
IAlibay
closed
8 months ago
2
Update duecredit paths
#45
IAlibay
closed
8 months ago
2
Release 0.4
#44
IAlibay
closed
7 months ago
2
PyPi package
#43
IAlibay
closed
7 months ago
5
Update packaging
#42
IAlibay
closed
8 months ago
1
Switch from util.which to shutil.which
#41
IAlibay
closed
10 months ago
1
Use a local duecredit vendor rather than MDAnalysis'
#40
IAlibay
closed
8 months ago
1
fix get_cmap deprecation
#39
IAlibay
closed
8 months ago
2
Port Tyler's fix from the core library
#38
IAlibay
closed
10 months ago
1
WIP: Add Python 3.12 to CI build matrix
#37
ianmkenney
closed
8 months ago
4
Use conda-forge hole binary for local builds
#36
ianmkenney
closed
11 months ago
1
Add macOS to CI
#35
ianmkenney
closed
11 months ago
1
create conda-forge package
#34
orbeckst
closed
7 months ago
8
add back docs after switch to MDA theme
#33
orbeckst
closed
7 months ago
0
Updated CHANGELOG.md
#32
ianmkenney
closed
11 months ago
2
Use the mdanalysis-sphinx-theme
#31
ianmkenney
closed
11 months ago
3
Check Py3.12 compatibility
#30
IAlibay
closed
8 months ago
2
Use new MDAnalysis theme
#26
ianmkenney
closed
11 months ago
0
update installation instructions
#25
orbeckst
opened
1 year ago
1
Documentation does not link to itself on the landing page
#24
ianmkenney
closed
1 year ago
1
Fixes to the docs theme
#23
ianmkenney
closed
1 year ago
5
Fixing README badges
#22
ianmkenney
closed
1 year ago
1
Shorten name of package from mdakithole2 to mdahole2
#21
ianmkenney
closed
1 year ago
0
Badge updates
#20
OmkarBorhade98
closed
1 year ago
1
Build docs on pr
#19
ianmkenney
closed
1 year ago
0
Docs should always build
#18
ianmkenney
closed
1 year ago
0
Pinning sphinx version
#17
ianmkenney
closed
1 year ago
1
Python version bump
#16
ianmkenney
closed
1 year ago
0
Use conda-forge channel instead of a personal one
#15
ianmkenney
closed
1 year ago
3
change package name to mdahole2
#14
ianmkenney
closed
1 year ago
0
use MDA doc style for docs
#13
orbeckst
closed
1 year ago
2
badge updates
#12
orbeckst
closed
1 year ago
5
Deploy documenation on github pages
#11
ianmkenney
closed
1 year ago
2
Added correct license and updated author names
#10
ianmkenney
closed
1 year ago
1
Updated docs
#9
ianmkenney
closed
1 year ago
3
Hole2 cannot be licensed under GPLv2
#8
IAlibay
closed
1 year ago
0
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