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

Age	Commit message (Expand)	Author	Files	Lines
2024-01-02	Update copyright year to 2024 (#41919)	Todd Gamblin	1	-1/+1
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