Packages
Get Gentoo!
gentoo.org sites
gentoo.org
Wiki
Bugs
Forums
Packages
Planet
Archives
Sources
Infra Status
Home
Packages
Maintainers
USE flags
Architectures
About
sci-chemistry
/
gromacs
The ultimate molecular dynamics simulation package
https://www.gromacs.org/
Overview
Dependencies
QA report
Pull requests
1
Bugs
0
Security
0
Changelog
Latest Commits
Commits on Jan 14, 2023
*/*: remove py3.8 from PYTHON_COMPAT
ed46802
David Seifert
committed on 14 Jan 2023 12:51:19
gromacs-2020.4-r1.ebuild
gromacs-2020.7.ebuild
gromacs-2021.3-r1.ebuild
gromacs-2021.5.ebuild
gromacs-2021.6.ebuild
gromacs-2021.9999.ebuild
gromacs-2022.3.ebuild
gromacs-2022.4.ebuild
gromacs-2022.9999.ebuild
gromacs-2023.9999.ebuild
gromacs-2023_rc1.ebuild
gromacs-9999.ebuild
Commits on Jan 03, 2023
*/*: make mycmakeargs local
128c4b0
David Seifert
committed on 3 Jan 2023 14:49:06
gromacs-2018.8-r1.ebuild
gromacs-2019.6-r1.ebuild
gromacs-2019.6-r2.ebuild
gromacs-2020.4-r1.ebuild
gromacs-2020.7.ebuild
gromacs-2021.3-r1.ebuild
gromacs-2021.5.ebuild
gromacs-2021.6.ebuild
gromacs-2021.9999.ebuild
gromacs-2022.3.ebuild
gromacs-2022.4.ebuild
gromacs-2022.9999.ebuild
gromacs-2023.9999.ebuild
gromacs-2023_rc1.ebuild
gromacs-9999.ebuild
Commits on Dec 24, 2022
sci-chemistry/gromacs: fix muParser dep
b26ca45
Christoph Junghans
committed on 24 Dec 2022 18:15:36
gromacs-2022.4.ebuild
gromacs-2022.9999.ebuild
gromacs-2023.9999.ebuild
gromacs-2023_rc1.ebuild
gromacs-9999.ebuild
Commits on Dec 22, 2022
sci-chemistry/gromacs: Fix manual build
e8387da
Alexey Shvetsov
committed on 22 Dec 2022 16:53:15
gromacs-2023.9999.ebuild
gromacs-2023_rc1.ebuild
gromacs-9999.ebuild
Commits on Dec 20, 2022
sci-chemistry/gromacs: Stabilize 2021.6 amd64, #887555
6f4df26
Sam James
committed on 20 Dec 2022 23:56:55
gromacs-2021.6.ebuild
sci-chemistry/gromacs: Refuse to build with double + opencl enabled
ade65a5
Alexey Shvetsov
committed on 20 Dec 2022 21:16:20
gromacs-2018.8-r1.ebuild
gromacs-2019.6-r1.ebuild
gromacs-2019.6-r2.ebuild
gromacs-2020.4-r1.ebuild
gromacs-2020.7.ebuild
gromacs-2021.3-r1.ebuild
gromacs-2021.5.ebuild
gromacs-2021.6.ebuild
gromacs-2021.9999.ebuild
gromacs-2022.3.ebuild
gromacs-2022.4.ebuild
gromacs-2022.9999.ebuild
gromacs-2023.9999.ebuild
gromacs-2023_rc1.ebuild
gromacs-9999.ebuild
sci-chemistry/gromacs: remove mkl-10 hack
478021f
Alexey Shvetsov
committed on 20 Dec 2022 21:06:08
gromacs-2018.8-r1.ebuild
gromacs-2019.6-r1.ebuild
gromacs-2019.6-r2.ebuild
gromacs-2020.4-r1.ebuild
gromacs-2020.7.ebuild
gromacs-2021.3-r1.ebuild
gromacs-2021.5.ebuild
gromacs-2021.6.ebuild
gromacs-2021.9999.ebuild
gromacs-2022.3.ebuild
gromacs-2022.4.ebuild
gromacs-2022.9999.ebuild
gromacs-2023.9999.ebuild
gromacs-2023_rc1.ebuild
gromacs-9999.ebuild
sci-chemistry/gromacs: Make all uris https
7b6d46f
Alexey Shvetsov
committed on 20 Dec 2022 20:51:23
Manifest
gromacs-2018.8-r1.ebuild
gromacs-2019.6-r1.ebuild
gromacs-2019.6-r2.ebuild
gromacs-2020.4-r1.ebuild
gromacs-2020.7.ebuild
gromacs-2021.3-r1.ebuild
gromacs-2021.5.ebuild
gromacs-2021.6.ebuild
gromacs-2021.9999.ebuild
gromacs-2022.3.ebuild
gromacs-2022.4.ebuild
gromacs-2022.9999.ebuild
gromacs-2023.9999.ebuild
gromacs-2023_rc1.ebuild
gromacs-9999.ebuild
sci-chemistry/gromacs: Add 2023.x release series
258d489
Alexey Shvetsov
committed on 20 Dec 2022 18:40:08
gromacs-2023.9999.ebuild
gromacs-2023_rc1.ebuild
Manifest
gromacs-9999.ebuild
sci-chemistry/gromacs: Fix pep517
47b82f8
Alexey Shvetsov
committed on 20 Dec 2022 18:24:57
gromacs-2020.4-r1.ebuild
gromacs-2020.7.ebuild
gromacs-2021.3-r1.ebuild
gromacs-2021.5.ebuild
gromacs-2021.6.ebuild
gromacs-2021.9999.ebuild
gromacs-9999.ebuild
sci-chemistry/gromacs: Add 2022.4 and fix pep517
8c604a3
Alexey Shvetsov
committed on 20 Dec 2022 18:24:30
gromacs-2022.4.ebuild
Manifest
gromacs-2022.3.ebuild
gromacs-2022.9999.ebuild
gromacs-2022.2.ebuild
Commits on Sep 15, 2022
sci-chemistry/gromacs: add 2021.6
fbd0d40
Alexey Shvetsov
committed on 15 Sep 2022 10:08:44
gromacs-2021.6.ebuild
Manifest
sci-chemistry/gromacs: add 2022.3, drop 2022.1
5e77ea3
Alexey Shvetsov
committed on 15 Sep 2022 10:08:38
gromacs-2022.3.ebuild
Manifest
gromacs-2022.1.ebuild
Commits on Jul 06, 2022
sci-chemistry/gromacs: Keyword 2022.2 arm64, #856388
29af9a9
Arthur Zamarin
committed on 6 Jul 2022 05:17:53
gromacs-2022.2.ebuild
Commits on Jul 04, 2022
sci-chemistry/gromacs: Update 9999
d900224
Alexey Shvetsov
committed on 4 Jul 2022 14:11:15
gromacs-9999.ebuild
sci-chemistry/gromacs: arm was dropped upstream since 2022.x
72794fd
Alexey Shvetsov
committed on 4 Jul 2022 14:10:19
gromacs-2022.1.ebuild
gromacs-2022.2.ebuild
gromacs-2022.9999.ebuild
sci-chemistry/gromacs: eneble py3.11
b47979b
Alexey Shvetsov
committed on 4 Jul 2022 13:36:03
gromacs-2020.4-r1.ebuild
gromacs-2020.7.ebuild
gromacs-2021.3-r1.ebuild
gromacs-2021.5.ebuild
sci-chemistry/gromacs: enable py3.11
81cdcf8
Alexey Shvetsov
committed on 4 Jul 2022 13:33:52
gromacs-2021.9999.ebuild
gromacs-2022.1.ebuild
sci-chemistry/gromacs: enable py3.11
e8414c8
Alexey Shvetsov
committed on 4 Jul 2022 13:32:31
gromacs-9999.ebuild
sci-chemistry/gromacs: enable py3.11
14911c1
Alexey Shvetsov
committed on 4 Jul 2022 13:31:52
gromacs-2022.9999.ebuild
sci-chemistry/gromacs: drop 2022
2853232
Alexey Shvetsov
committed on 4 Jul 2022 13:31:00
Manifest
gromacs-2022.ebuild
sci-chemistry/gromacs: add 2022.2
1bb24af
Alexey Shvetsov
committed on 4 Jul 2022 13:30:59
gromacs-2022.2.ebuild
Manifest
Commits on Jun 02, 2022
sci-chemistry/gromacs: Keyword 2022.1 arm, #834865
9fe2ffa
Sam James
committed on 2 Jun 2022 04:03:17
gromacs-2022.1.ebuild
Commits on May 14, 2022
sci-chemistry/gromacs: [QA] tc-has-openmp → tc-check-openmp
2761842
David Seifert
committed on 14 May 2022 21:30:19
gromacs-2018.8-r1.ebuild
gromacs-2019.6-r1.ebuild
gromacs-2019.6-r2.ebuild
gromacs-2020.4-r1.ebuild
gromacs-2020.7.ebuild
gromacs-2021.3-r1.ebuild
gromacs-2021.5.ebuild
gromacs-2021.9999.ebuild
gromacs-2022.1.ebuild
gromacs-2022.9999.ebuild
gromacs-2022.ebuild
gromacs-9999.ebuild
Commits on Apr 28, 2022
sci-chemistry/gromacs: dropped unused eclass
a11064d
Alexey Shvetsov
committed on 28 Apr 2022 08:36:59
gromacs-2019.6-r1.ebuild
gromacs-2019.6-r2.ebuild
sci-chemistry/gromacs: add 2022.1
bbb7f1d
Alexey Shvetsov
committed on 28 Apr 2022 08:36:59
gromacs-2022.1.ebuild
Manifest
Commits on Feb 22, 2022
sci-chemistry/gromacs: New release
a489fc2
Alexey Shvetsov
committed on 22 Feb 2022 20:58:24
gromacs-2022.ebuild
Manifest
files/gromacs-2022-musl-stdint.patch
gromacs-2022_rc1-r2.ebuild
Commits on Feb 21, 2022
sci-chemistry/gromacs: Fix build for musl
3be10d9
Alexey Shvetsov
committed on 21 Feb 2022 16:36:36
files/gromacs-2021-musl-stdint.patch
gromacs-2021.3-r1.ebuild
gromacs-2021.5.ebuild
sci-chemistry/gromacs: Fix musl build (missing int64_t) for 2022
e62617f
Alexey Shvetsov
committed on 21 Feb 2022 16:20:00
files/gromacs-2022-musl-stdint.patch
gromacs-2022_rc1-r2.ebuild
gromacs-2022_rc1-r1.ebuild
Commits on Feb 16, 2022
sci-chemistry/gromacs: Fix misspelling
933b499
Alexey Shvetsov
committed on 16 Feb 2022 13:04:04
gromacs-2022_rc1-r1.ebuild
sci-chemistry/gromacs: Cleanup
f7707b4
Alexey Shvetsov
committed on 16 Feb 2022 09:56:50
Manifest
gromacs-2020.6-r1.ebuild
sci-chemistry/gromacs: Fix gromacs citaton
c1a1924
Alexey Shvetsov
committed on 16 Feb 2022 09:54:43
gromacs-2018.8-r1.ebuild
gromacs-2019.6-r1.ebuild
gromacs-2019.6-r2.ebuild
gromacs-2020.4-r1.ebuild
gromacs-2020.6-r1.ebuild
gromacs-2020.7.ebuild
gromacs-2021.3-r1.ebuild
gromacs-2021.5.ebuild
gromacs-2021.9999.ebuild
gromacs-2022.9999.ebuild
gromacs-2022_rc1-r1.ebuild
gromacs-9999.ebuild
sci-chemistry/gromacs: Add missing inherit
bc9e12f
Alexey Shvetsov
committed on 16 Feb 2022 09:54:38
gromacs-2019.6-r1.ebuild
gromacs-2019.6-r2.ebuild
sci-chemistry/gromacs: Drop unused eclass
ae68a4e
Alexey Shvetsov
committed on 16 Feb 2022 09:54:34
gromacs-2018.8-r1.ebuild
gromacs-2019.6-r1.ebuild
gromacs-2019.6-r2.ebuild
gromacs-2020.4-r1.ebuild
gromacs-2020.6-r1.ebuild
gromacs-2021.3-r1.ebuild
sci-chemistry/gromacs: Drop non-exising blocker
f8d08a5
Alexey Shvetsov
committed on 16 Feb 2022 09:54:30
gromacs-2020.4-r1.ebuild
gromacs-2020.6-r1.ebuild
gromacs-2021.3-r1.ebuild
sci-chemistry/gromacs: Allow to build with clang
c870026
Alexey Shvetsov
committed on 16 Feb 2022 09:54:26
gromacs-2022_rc1-r1.ebuild
metadata.xml
gromacs-2022_rc1.ebuild
Commits on Feb 14, 2022
sci-chemistry/gromacs: Stabilize 2021.3-r1 x86, #814101
3b60aea
Jakov Smolić
committed on 14 Feb 2022 10:35:12
gromacs-2021.3-r1.ebuild
Commits on Feb 10, 2022
sci-chemistry/gromacs: version bump for 2020.7
2c54af2
Alexey Shvetsov
committed on 10 Feb 2022 11:13:57
gromacs-2020.7.ebuild
Manifest
Commits on Feb 09, 2022
sci-chemistry/gromacs: remove unused patch
9fe8e34
Michael Mair-Keimberger
authored
and
Conrad Kostecki
committed on 9 Feb 2022 23:01:27
files/gromacs-2021-nblib.patch
Commits on Feb 08, 2022
sci-chemistry/gromacs: Cleanup 2021 versions
9f10eb8
Alexey Shvetsov
committed on 8 Feb 2022 12:32:16
Manifest
gromacs-2021.5.ebuild
gromacs-2021.9999.ebuild
gromacs-2021.2-r1.ebuild
gromacs-2021.4.ebuild
sci-chemistry/gromacs: there no mdrun_only builds with gromacs 2022
5a8b951
Alexey Shvetsov
committed on 8 Feb 2022 12:28:10
gromacs-2022.9999.ebuild
gromacs-2022_rc1.ebuild
gromacs-9999.ebuild
Commits on Jan 27, 2022
sci-chemistry/gromacs: rc1 added
b05d963
Alexey Shvetsov
committed on 27 Jan 2022 16:03:24
gromacs-2022_rc1.ebuild
Manifest
gromacs-2022_beta1-r2.ebuild
sci-chemistry/gromacs: Version bump
aca2065
Alexey Shvetsov
committed on 27 Jan 2022 16:03:24
gromacs-2021.5.ebuild
Manifest
Commits on Nov 09, 2021
sci-chemistry/gromacs: version bump to 2021.4
77fb3c9
Alexey Shvetsov
committed on 9 Nov 2021 07:12:15
gromacs-2021.4.ebuild
Manifest
Commits on Nov 07, 2021
sci-chemistry/gromacs: fix v2019 build on newer glibc
2cdfa60
Christoph Junghans
committed on 7 Nov 2021 20:12:26
files/gromacs-2019.6-missing-include.patch
gromacs-2019.6-r2.ebuild
Commits on Nov 04, 2021
sci-chemistry/gromacs: needs mpi[cxx]
1046711
Sam James
committed on 4 Nov 2021 20:54:07
gromacs-2022_beta1-r2.ebuild
gromacs-2022.9999.ebuild
gromacs-9999.ebuild
gromacs-2022_beta1-r1.ebuild
sci-chemistry/gromacs: Fix deps
99312fd
Alexey Shvetsov
committed on 4 Nov 2021 20:52:23
gromacs-2022.9999.ebuild
gromacs-2022_beta1-r1.ebuild
gromacs-9999.ebuild
sci-chemistry/gromacs: Unbundle muParser
b7247fc
Alexey Shvetsov
committed on 4 Nov 2021 18:02:12
gromacs-2022_beta1-r1.ebuild
gromacs-2022.9999.ebuild
gromacs-9999.ebuild
gromacs-2022_beta1.ebuild
Commits on Oct 28, 2021
sci-chemistry/gromacs: Add 2022_beta1
da584b9
Alexey Shvetsov
committed on 28 Oct 2021 16:25:09
gromacs-2022.9999.ebuild
gromacs-2022_beta1.ebuild
Manifest
gromacs-9999.ebuild
Commits on Oct 26, 2021
sci-chemistry/gromacs: revbump for subslot operator changes
375e3dc
Sam James
committed on 26 Oct 2021 07:45:45
gromacs-2018.8-r1.ebuild
gromacs-2019.6-r1.ebuild
gromacs-2020.4-r1.ebuild
gromacs-2020.6-r1.ebuild
gromacs-2021.2-r1.ebuild
gromacs-2021.3-r1.ebuild
gromacs-2021.9999.ebuild
gromacs-9999.ebuild
gromacs-2018.8.ebuild
gromacs-2019.6.ebuild
gromacs-2020.4.ebuild
gromacs-2020.6.ebuild
gromacs-2021.2.ebuild
gromacs-2021.3.ebuild
sci-chemistry/gromacs: Needs to be rebuilt with lmfit soname changes
7ad9910
Pacho Ramos
committed on 26 Oct 2021 07:39:39
gromacs-2019.6.ebuild
gromacs-2020.6.ebuild
gromacs-2021.3.ebuild
gromacs-2021.9999.ebuild
gromacs-9999.ebuild
Commits on Oct 14, 2021
sci-chemistry/gromacs: fix confusing indentation
9902bd0
Sam James
committed on 14 Oct 2021 06:26:45
gromacs-2021.3.ebuild
gromacs-2021.9999.ebuild
gromacs-9999.ebuild
sci-chemistry/gromacs: fix configure with -custom-cflags
8e60fd5
Sam James
committed on 14 Oct 2021 06:23:49
gromacs-2021.3.ebuild
gromacs-2021.9999.ebuild
gromacs-9999.ebuild
Commits on Oct 06, 2021
sci-chemistry/gromacs: Stabilize 2021.3 arm, #814101
03e5409
Sam James
committed on 6 Oct 2021 23:05:49
gromacs-2021.3.ebuild
sci-chemistry/gromacs: Stabilize 2021.3 amd64, #814101
9dd80cd
Sam James
committed on 6 Oct 2021 23:05:39
gromacs-2021.3.ebuild
Commits on Sep 15, 2021
sci-chemistry/gromacs: Check patches
52a638e
Alexey Shvetsov
committed on 15 Sep 2021 18:23:31
gromacs-2021.3.ebuild
sci-chemistry/gromacs: version bump
4bbea02
Alexey Shvetsov
committed on 15 Sep 2021 07:56:08
gromacs-2021.3.ebuild
Manifest
Commits on Sep 11, 2021
**/metadata.xml: Replace http by https in DOCTYPE element
38b155f
Ulrich Müller
committed on 11 Sep 2021 13:22:48