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

Age	Commit message (Expand)	Author	Files	Lines
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
2020-03-10	gromacs: remove simd variants (#13636)	Christoph Junghans	1	-14/+34
2020-03-09	Gromacs: new version 2020.1 (#15399)	TZ	1	-0/+1
2020-02-28	gromacs: add v2019.6 (#15267)	Christoph Junghans	1	-1/+2
2020-01-13	gromacs: add v2020 (#14477)	Christoph Junghans	1	-0/+1
2020-01-02	gromacs: depend on hwloc v1 (#14343)	Gilles Gouaillardet	1	-1/+3
2019-12-30	copyright: update copyright dates for 2020 (#14328)	Todd Gamblin	1	-1/+1
2019-12-23	gromacs: add v2019.5 (#14285)	Christoph Junghans	1	-0/+1
2019-12-20	Added hwloc dependency to gromacs (#14244)	Andras Wacha	1	-0/+7
2019-12-10	gromacs-2018.8: fix checksum (#14069)	Christoph Junghans	1	-1/+1
2019-11-14	Adding final bug-releases for the gromacs-2016 and -2018 and Plumed (#13715)	Hector Martinez-Seara	1	-0/+2
2019-11-06	gromacs: add v2019.4 and others (#13617)	Christoph Junghans	1	-1/+4
2019-10-12	checksums: use sha256 checksums everywhere	Todd Gamblin	1	-9/+9
2019-09-07	flake8: make entire repository pass `spack flake8 -a`	Todd Gamblin	1	-2/+2
2019-08-13	package/gromacs: simd optimizations autodetection for more versions (#12402)	Ricardo Silva	3	-2/+14
2019-08-09	gromacs: fix CPU optimizations detection (simd=auto) (#12354)	Ricardo Silva	2	-0/+14
2019-07-30	gromacs: added version 4.5.5 (#12197)	健美猞猁	1	-0/+1
2019-07-29	Gromacs package: add openmp, mdrun_only, double_precision options (#12150)	Hironori-Yamaji	1	-0/+20
2019-04-17	gromacs: added 2019 patch releases (#11211)	Christoph Junghans	1	-0/+2
2019-03-20	gromacs: make sure cuda support is disabled when cuda=False (#10936)	fcannini	1	-0/+2