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conda-forge
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ambertools-feedstock
A conda-smithy repository for ambertools.
BSD 3-Clause "New" or "Revised" License
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Rebuild for CUDA 12 w/arch + Windows support
#148
regro-cf-autotick-bot
opened
3 weeks ago
1
Rebuild for openmpi 5
#147
regro-cf-autotick-bot
closed
3 weeks ago
5
Rebuild for arpack 3.9
#146
regro-cf-autotick-bot
closed
1 month ago
1
Might be good to only squash merge the PR
#145
xiki-tempula
opened
1 month ago
0
enable cuda build
#144
xiki-tempula
closed
3 weeks ago
20
pytraj not compatible with osx-arm64 arch
#143
xiki-tempula
opened
1 month ago
1
Build with dftbplus, xtb, deepmd-kit
#142
njzjz
opened
2 months ago
2
Release 24
#141
mattwthompson
opened
2 months ago
17
(Some?) AmberTools 23 binaries do not work on macOS 13
#140
mattwthompson
opened
2 months ago
2
Rebuild for libboost 1.84
#139
regro-cf-autotick-bot
closed
2 months ago
9
Make releases less monolithic
#138
mattwthompson
opened
3 months ago
1
AmberTools23.6 and internal packmol
#137
SSchott
closed
2 months ago
22
Last AmberTools23 update, and do_not_vendor_packmol.patch
#136
SSchott
opened
3 months ago
1
AmberTools24 is ready.
#135
dacase
opened
3 months ago
9
Ambertools 22 on Python 3.11
#134
mikemhenry
opened
4 months ago
3
build MPI
#133
njzjz
closed
2 months ago
37
MPI builds
#132
njzjz
closed
2 months ago
2
Locally build the conda package in an OSX platform
#131
xiki-tempula
closed
3 months ago
3
Rebuild for python312
#130
regro-cf-autotick-bot
closed
8 months ago
1
Loosen ParmEd pin
#129
mattwthompson
closed
8 months ago
2
ParmEd 4.0.0 pin preventing bot migration
#128
mattwthompson
closed
8 months ago
1
Issues related to compiling AmberTools with clang-16
#127
dacase
opened
9 months ago
13
Rebuild for libboost 1.82
#126
regro-cf-autotick-bot
closed
9 months ago
6
Rebuild for arpack38
#125
regro-cf-autotick-bot
closed
9 months ago
11
Rebuild for libboost 1.82
#124
regro-cf-autotick-bot
closed
9 months ago
14
input_parser.py ValueError: invalid literal for int() with base 10: ''
#123
mainguyenanhvu
closed
10 months ago
1
No Cython
#122
mattwthompson
closed
11 months ago
8
Cython 0
#121
mattwthompson
closed
11 months ago
2
Cython 3
#120
mattwthompson
closed
11 months ago
3
CUDA Builds
#119
SimonBoothroyd
opened
11 months ago
12
Release 23.3
#118
mattwthompson
closed
1 year ago
38
Procedure for creating updates to AmberTools23?
#117
dacase
closed
1 year ago
14
23.3 osx-arm64 build
#116
mikemhenry
closed
1 year ago
16
Add joblib as a run requirement
#115
jaimergp
closed
1 year ago
3
Missing joblib requirement?
#114
IAlibay
closed
1 year ago
1
Rebuild for python311
#113
regro-cf-autotick-bot
closed
1 year ago
12
Update 23 final
#112
jaimergp
closed
1 year ago
11
Rebuild for python311
#111
regro-cf-autotick-bot
closed
1 year ago
5
Rebuild for python311
#110
regro-cf-autotick-bot
closed
1 year ago
4
Add Jason Swails as a code maintainer for AmberTools
#109
swails
closed
1 year ago
3
Build AmberTools 22.5
#108
swails
closed
1 year ago
10
Rebuild for libnetcdf492
#107
regro-cf-autotick-bot
closed
1 year ago
1
Add maintainers
#106
j-wags
closed
1 year ago
4
Fix/relax parmed pins
#105
mikemhenry
closed
1 year ago
8
Relax pymbar pins
#104
mikemhenry
closed
1 year ago
1
Rebuild for libnetcdf492
#103
regro-cf-autotick-bot
closed
1 year ago
2
Update to 23.0
#102
jaimergp
closed
1 year ago
40
Update 22.4 retry
#101
jaimergp
closed
1 year ago
1
Update 22.3
#100
jaimergp
closed
1 year ago
1
Update 22.2
#99
jaimergp
closed
1 year ago
1
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