spack - A flexible package manager that supports multiple versions, configurations, platforms, and compilers.

Age	Commit message (Expand)	Author	Files	Lines
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
2021-07-16	Added missing Plumed 2.5-2.7 versions to Gromacs package (#24912)	Maciej Wójcik	1	-9/+45
2021-05-07	gromacs: add v2021.2 (#23487)	Gilles Gouaillardet	1	-0/+1
2021-04-15	Added thread-MPI to build. (#22992)	Evan Bollig	1	-2/+3
2021-04-08	Gromacs CUDA patch + some version constraints (#22851)	Maciej Wójcik	1	-2/+31
2021-04-07	Update packages for NVIDIA HPC SDK 21.1 (#21975)	Scott McMillan	1	-1/+4
2021-03-24	gromacs: add v2021.1 (#22507)	Robert Mijakovic	1	-0/+1
2021-02-17	Bugfix for x86_64 skylake and other archs where SIMD features are disabled by...	Evan Bollig	1	-1/+4
2021-02-11	Apply compiler filters to GROMACS installation. (#21621)	M. Eric Irrgang	1	-0/+9
2021-02-11	Update GROMACS package (#21617)	M. Eric Irrgang	1	-22/+45
2021-02-07	Clarify GROMACS relaxed double option (#21510)	Mark Abraham	1	-3/+3
2021-02-07	handle other architectures than Intel (#21509)	marvinbernhardt	1	-4/+4
2021-02-05	gromacs: added v2021 (#21473)	Evan Bollig	1	-2/+9
2021-01-25	Updated gromacs for 2021.rc1. Updated GMX_GPU values (#20797)	Evan Bollig	1	-4/+17
2021-01-19	gromacs: add v2020.5 (#21144)	yellowhat	1	-0/+1
2021-01-06	Gromacs: simplify hwloc dependency. (#20619)	Rémi Lacroix	1	-2/+1
2021-01-02	copyrights: update all files with license headers for 2021	Todd Gamblin	1	-1/+1
2020-12-15	gromacs: removed mentions of non-existing variants (#20405)	AMD Toolchain Support	1	-1/+0
2020-11-26	spack recipe for gromacs with aocc compiler support (#19745)	AMD Toolchain Support	1	-2/+31
2020-11-01	gromacs: simplified use of targets (#19646)	Massimiliano Culpo	1	-8/+5
2020-10-30	Make archspec a vendored dependency (#19600)	Massimiliano Culpo	1	-6/+6
2020-10-29	Gromacs: Remove a dependency that could never be enabled. (#19599)	Rémi Lacroix	1	-1/+0
2020-10-23	Fix GROMACS to require FFTW when using cuda (#19505)	Marty Kandes	1	-1/+1
2020-10-22	Enable packages to use the NVIDIA HPC SDK (#19452)	Scott McMillan	1	-1/+25
2020-10-21	gromacs: fix SIMD argument for ppc64le (#19435)	Massimiliano Culpo	1	-1/+1
2020-10-06	gromacs: add v2020.4 (#19208)	Christoph Junghans	1	-0/+1
2020-09-22	gromacs: remove 'rdtscp' variant, deduce the flag from the target (#18868)	Massimiliano Culpo	1	-6/+5
2020-09-08	gromacs: add zen2 target SIMD optimizations (#18551)	Gvozden Neskovic	1	-4/+7
2020-09-02	gromacs: add support for opencl build (#18461)	Gvozden Neskovic	1	-3/+9
2020-08-07	gromacs: new version 2020.3; variant nosuffix and mkl support (#17908)	g-mathias	1	-6/+38
2020-06-24	gromacs: fix fftw and update cmake dependencies (#17226)	Gilles Gouaillardet	1	-1/+4
2020-04-30	gromacs: add v2020.2 (#16408)	Christoph Junghans	1	-0/+1
2020-04-10	gromacs: install header files (#15996)	Christoph Junghans	1	-0/+3