index
:
spack
adelie
adelie-v0.19.0
adelie-v0.20.3
adelie-v0.21.0
develop
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
root
summary
refs
log
tree
commit
diff
log msg
author
committer
range
path:
root
/
var
/
spack
/
repos
/
builtin
/
packages
/
gromacs
Age
Commit message (
Expand
)
Author
Files
Lines
2023-12-27
Initial License Checkin
Aiden Grossman
1
-0
/
+2
2023-11-20
gromacs: fix newly added variant (#41178)
Mark Abraham
1
-1
/
+1
2023-11-18
gromacs: Add new variants and clarify existing ones (#41115)
Mark Abraham
1
-2
/
+45
2023-11-10
gromacs et al: fix ^mkl pattern (#41002)
Massimiliano Culpo
1
-1
/
+6
2023-10-27
gromacs: default to external blas & lapack (#40490)
Harmen Stoppels
1
-28
/
+8
2023-10-27
gromacs: fix version branch in intel fftw (#40489)
Harmen Stoppels
1
-1
/
+1
2023-10-20
gromacs: add 2022.6, 2023.2, 2023.3 versions (#38906)
Andrey Alekseenko
1
-0
/
+3
2023-10-20
gromacs +cp2k: build in CI (#40494)
Harmen Stoppels
1
-1
/
+0
2023-09-11
[gromacs] Fix 2021.2 build error (#39722)
Stephen Sachs
1
-0
/
+6
2023-08-14
gromacs: add plumed 2.8.3-2.9.0 variants (#39411)
Audrius Kalpokas
1
-30
/
+33
2023-08-10
Fix conflicts on direct dependencies that don't start with ^ (#39369)
Massimiliano Culpo
1
-1
/
+1
2023-06-09
[gromacs] Fix intel (classic) libstdc++ path (#37822)
Stephen Sachs
1
-3
/
+27
2023-05-11
add openmp_max_threads variant and enable avx 512 optimizations for icelake (...
Andrey Parfenov
1
-0
/
+9
2023-05-02
gromacs: add 2023.1 version (#37371)
Daniel Ahlin
1
-0
/
+1
2023-04-24
gromacs: rework plumed support (#37013)
Carlos Bederián
1
-43
/
+33
2023-04-17
plumed: add 2.8.2, 2.7.6 and their supported gromacs combinations (#36929)
Carlos Bederián
1
-28
/
+34
2023-04-13
gromacs: Specify c++ stdlib for aocc (#36553)
Daniel Ahlin
1
-0
/
+3
2023-04-12
gromacs: Intel oneapi 2023 fixes (#36555)
Daniel Ahlin
1
-5
/
+12
2023-04-05
gromacs: add cufftmp variant to enable distributed PME when using CUDA (#36552)
Daniel Ahlin
1
-0
/
+10
2023-04-03
gromacs: make package inherit from CudaPackage (#36551)
Daniel Ahlin
1
-2
/
+1
2023-03-17
Switch GROMACS build type to Release (#36181)
Szilárd Páll
1
-1
/
+1
2023-03-17
Fix `--test` behavior for gromacs package. (#35674)
M. Eric Irrgang
1
-3
/
+47
2023-03-08
gromacs: add sve variant on aarch64 (#35614)
Annop Wongwathanarat
1
-0
/
+11
2023-02-28
Back-port a patch for filesystem logic in `gmx` executable. (#35672)
M. Eric Irrgang
1
-0
/
+9
2023-02-16
Style: black 23, skip magic trailing comma (#35351)
Adam J. Stewart
1
-11
/
+2
2023-02-16
added support zen4 support for gromacs (#35503)
AMD Toolchain Support
1
-1
/
+4
2023-02-16
gromacs: add 2021.7, 2022.5, 2023, and some requirements (#35413)
Carlos Bederián
1
-0
/
+18
2023-02-01
Use the `maintainers` directive in all packages (#35201)
Massimiliano Culpo
1
-1
/
+1
2023-01-18
license year bump (#34921)
Harmen Stoppels
1
-1
/
+1
2022-12-19
Gromacs: added version 2022.4 (#34599)
Hector Martinez-Seara
1
-0
/
+1
2022-12-13
gromacs: enable linking with acfl FFT (#34494)
Annop Wongwathanarat
1
-0
/
+5
2022-12-05
Added plumed version 2.8.1 including gromacs compatibility (#34268)
Hector Martinez-Seara
1
-2
/
+12
2022-11-08
gromacs: enable linking with armpl-gcc FFT (#33750)
Annop Wongwathanarat
1
-0
/
+7
2022-09-22
GROMACS: update CMake version, and a couple more fixes (#32748)
Andrey Alekseenko
1
-12
/
+11
2022-09-13
gromacs: add 2022.3 (#32624)
Carlos Bederián
1
-0
/
+1
2022-08-08
gromacs: add CP2K (#31836)
Maciej Wójcik
1
-0
/
+23
2022-07-31
black: reformat entire repository with black
Todd Gamblin
1
-296
/
+336
2022-07-22
gromacs: Added version 2021.6 (#31692)
Hector Martinez-Seara
1
-0
/
+1
2022-06-23
Add some GROMACS versions (#31264)
Maciej Wójcik
1
-1
/
+2
2022-05-31
gromacs: Add recent releases (#30892)
Maciej Wójcik
1
-4
/
+9
2022-05-28
refactor: packages import `spack.package` explicitly (#30404)
Tom Scogland
1
-0
/
+2
2022-05-23
plumed: add versions up to v2.8.0 (#30787)
Maciej Wójcik
1
-19
/
+27
2022-02-02
gromacs: Add versions 2021.4 and 2021.5 (#28722)
Carlos Bederián
1
-0
/
+2
2022-01-14
Update copyright year to 2022
Todd Gamblin
1
-1
/
+1
2021-10-12
gromacs: @2018:2020: add #include <limits> for newer %gcc builds (#26678)
Bernhard Kaindl
1
-0
/
+14
2021-10-12
gromacs: Add Gromacs 2020.6 and Plumed 2.7.2 (#26663)
Maciej Wójcik
1
-2
/
+6
2021-10-03
Remove .99 from version ranges (#26422)
Harmen Stoppels
1
-13
/
+13
2021-09-13
Switch http to https where latter exists (#25672)
Tamara Dahlgren
1
-1
/
+1
2021-09-09
Have GROMACS log files indicate spack was used (#25869)
Mark Abraham
1
-0
/
+6
2021-09-02
gromacs: add v2021.3 (#25750)
Gilles Gouaillardet
1
-0
/
+1
[next]