sci-chemistry/gromacs – Gentoo Packages

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Latest Commits

Commits on 2025-04-02
- sci-chemistry/gromacs: enable py3.13
  4b60e11
  Alexey Shvetsov committed on 2025-04-02 09:10:55 UTC
  sci-chemistry/gromacs/gromacs-2023.5.ebuildsci-chemistry/gromacs/gromacs-2024.5.ebuildsci-chemistry/gromacs/gromacs-2024.9999.ebuildsci-chemistry/gromacs/gromacs-2025.0.ebuildsci-chemistry/gromacs/gromacs-2025.1.ebuildsci-chemistry/gromacs/gromacs-2025.9999.ebuildsci-chemistry/gromacs/gromacs-9999.ebuild
Commits on 2025-03-21
- sci-chemistry/gromacs: drop 2024.3
  9c844e5
  Alexey Shvetsov committed on 2025-03-21 10:04:33 UTC
  sci-chemistry/gromacs/Manifestsci-chemistry/gromacs/gromacs-2024.3.ebuild
- sci-chemistry/gromacs: add 2025.1
  3c687ba
  Alexey Shvetsov committed on 2025-03-21 10:03:20 UTC
  sci-chemistry/gromacs/gromacs-2025.1.ebuildsci-chemistry/gromacs/Manifest
Commits on 2025-03-14
- */*: mv sci-libs/caffe2 to sci-ml/
  6d588ef
  Alfredo Tupone committed on 2025-03-14 21:36:45 UTC
  sci-chemistry/gromacs/gromacs-2025.0.ebuildsci-chemistry/gromacs/gromacs-2025.9999.ebuildsci-chemistry/gromacs/gromacs-9999.ebuildsci-chemistry/gromacs/metadata.xml
Commits on 2025-02-24
- sci-chemistry/gromacs: Stabilize 2024.5 amd64, #950227
  4ee1313
  Sam James committed on 2025-02-24 20:46:43 UTC
  sci-chemistry/gromacs/gromacs-2024.5.ebuild
- sci-chemistry/gromacs: Stabilize 2024.5 arm64, #950227
  438cf3a
  Sam James committed on 2025-02-24 19:39:06 UTC
  sci-chemistry/gromacs/gromacs-2024.5.ebuild
- sci-chemistry/gromacs: sphinx and Co now needed for building man pages
  cbfb936
  Alexey Shvetsov committed on 2025-02-24 10:44:05 UTC
  sci-chemistry/gromacs/gromacs-2025.0.ebuildsci-chemistry/gromacs/gromacs-2025.9999.ebuildsci-chemistry/gromacs/gromacs-9999.ebuild
- sci-chemistry/gromacs: resurect accidently dropped patch
  150fc73
  Alexey Shvetsov committed on 2025-02-24 10:20:08 UTC
  sci-chemistry/gromacs/files/gromacs-gcc-15.patch
- sci-chemistry/gromacs: drop 2024.4
  d7e3aa4
  Alexey Shvetsov committed on 2025-02-24 10:12:54 UTC
  sci-chemistry/gromacs/Manifestsci-chemistry/gromacs/gromacs-2024.4.ebuild
- sci-chemistry/gromacs: drop 2023.9999
  0c3e868
  Alexey Shvetsov committed on 2025-02-24 10:12:39 UTC
  sci-chemistry/gromacs/gromacs-2023.9999.ebuild
- sci-chemistry/gromacs: add 2025.0, drop 2025_rc
  cb179db
  Alexey Shvetsov committed on 2025-02-24 10:07:50 UTC
  sci-chemistry/gromacs/gromacs-2025.0.ebuildsci-chemistry/gromacs/Manifestsci-chemistry/gromacs/gromacs-2025_rc.ebuild
Commits on 2025-02-19
- sci-chemistry/gromacs: Remove py3.10 (per sphinx-8.2)
  e8d1c06
  Michał Górny committed on 2025-02-19 20:07:34 UTC
  sci-chemistry/gromacs/gromacs-2023.5.ebuildsci-chemistry/gromacs/gromacs-2023.9999.ebuildsci-chemistry/gromacs/gromacs-2024.3.ebuildsci-chemistry/gromacs/gromacs-2024.4.ebuildsci-chemistry/gromacs/gromacs-2024.5.ebuildsci-chemistry/gromacs/gromacs-2024.9999.ebuildsci-chemistry/gromacs/gromacs-2025.9999.ebuildsci-chemistry/gromacs/gromacs-2025_rc.ebuildsci-chemistry/gromacs/gromacs-9999.ebuild
Commits on 2025-02-03
- sci-chemistry/gromacs: add 2024.5
  2d578bd
  Alexey Shvetsov committed on 2025-02-03 06:36:25 UTC
  sci-chemistry/gromacs/gromacs-2024.5.ebuildsci-chemistry/gromacs/Manifest
- sci-chemistry/gromacs: add 2025_rc, drop 2025.0_beta
  106c4d0
  Alexey Shvetsov committed on 2025-02-03 06:36:16 UTC
  sci-chemistry/gromacs/gromacs-2025_rc.ebuildsci-chemistry/gromacs/Manifestsci-chemistry/gromacs/files/gromacs-2025.0-beta-fix-man-build.patchsci-chemistry/gromacs/files/gromacs-gcc-15.patchsci-chemistry/gromacs/gromacs-2025.0_beta.ebuild
Commits on 2024-12-12
- sci-chemistry/gromacs: Update deps for man/help build
  8aef808
  Alexey Shvetsov committed on 2024-12-12 11:17:36 UTC
  sci-chemistry/gromacs/gromacs-2025.0_beta.ebuildsci-chemistry/gromacs/gromacs-2025.9999.ebuildsci-chemistry/gromacs/gromacs-9999.ebuild
Commits on 2024-12-11
- Move {sys-devel → llvm-core}/clang
  3ee411f
  Michał Górny committed on 2024-12-11 11:53:18 UTC
  sci-chemistry/gromacs/gromacs-2023.5.ebuildsci-chemistry/gromacs/gromacs-2023.9999.ebuildsci-chemistry/gromacs/gromacs-2024.3.ebuildsci-chemistry/gromacs/gromacs-2024.4.ebuildsci-chemistry/gromacs/gromacs-2024.9999.ebuildsci-chemistry/gromacs/gromacs-2025.0_beta.ebuildsci-chemistry/gromacs/gromacs-2025.9999.ebuildsci-chemistry/gromacs/gromacs-9999.ebuild
- Move {sys-devel → llvm-core}/clang-runtime
  6aa98b9
  Michał Górny committed on 2024-12-11 11:53:16 UTC
  sci-chemistry/gromacs/gromacs-2023.5.ebuildsci-chemistry/gromacs/gromacs-2023.9999.ebuildsci-chemistry/gromacs/gromacs-2024.3.ebuildsci-chemistry/gromacs/gromacs-2024.4.ebuildsci-chemistry/gromacs/gromacs-2024.9999.ebuildsci-chemistry/gromacs/gromacs-2025.0_beta.ebuildsci-chemistry/gromacs/gromacs-2025.9999.ebuildsci-chemistry/gromacs/gromacs-9999.ebuild
Commits on 2024-12-10
- sci-chemistry/gromacs: Fix man build with upstream patch
  d6cd065
  Alexey Shvetsov committed on 2024-12-10 16:19:38 UTC
  sci-chemistry/gromacs/files/gromacs-2025.0-beta-fix-man-build.patchsci-chemistry/gromacs/gromacs-2025.0_beta.ebuild
Commits on 2024-11-25
- sci-chemistry/gromacs: hdf5 support not ready for 2025
  f3c616b
  Alexey Shvetsov committed on 2024-11-25 06:04:07 UTC
  sci-chemistry/gromacs/gromacs-2025.0_beta.ebuildsci-chemistry/gromacs/gromacs-2025.9999.ebuild
Commits on 2024-11-23
- sci-chemistry/gromacs: drop 2020.7-r1, 2021.7-r1, 2022.6
  08eb987
  Alexey Shvetsov committed on 2024-11-23 17:42:43 UTC
  sci-chemistry/gromacs/Manifestsci-chemistry/gromacs/metadata.xmlsci-chemistry/gromacs/files/gromacs-2020-pytest.patchsci-chemistry/gromacs/files/gromacs-2021-cstdint-include.patchsci-chemistry/gromacs/files/gromacs-2021-cuda-detection.patchsci-chemistry/gromacs/files/gromacs-2021-musl-stdint.patchsci-chemistry/gromacs/gromacs-2020.7-r1.ebuildsci-chemistry/gromacs/gromacs-2021.7-r1.ebuildsci-chemistry/gromacs/gromacs-2022.6.ebuild
- sci-chemistry/gromacs: Stabilize 2024.3 amd64, #944251
  511dc6f
  Michał Górny committed on 2024-11-23 14:15:11 UTC
  sci-chemistry/gromacs/gromacs-2024.3.ebuild
- sci-chemistry/gromacs: Stabilize 2023.5 amd64, #944251
  f88ac6c
  Michał Górny committed on 2024-11-23 14:15:10 UTC
  sci-chemistry/gromacs/gromacs-2023.5.ebuild
Commits on 2024-11-22
- sci-chemistry/gromacs: disable man pages build
  0632aec
  Alexey Shvetsov committed on 2024-11-22 09:35:36 UTC
  sci-chemistry/gromacs/gromacs-2025.0_beta.ebuild
Commits on 2024-11-21
- sci-chemistry/gromacs: Stabilize 2024.3 arm64, #944251
  8563c15
  Arthur Zamarin committed on 2024-11-21 21:08:42 UTC
  sci-chemistry/gromacs/gromacs-2024.3.ebuild
- sci-chemistry/gromacs: Stabilize 2023.5 arm64, #944251
  a843ec5
  Arthur Zamarin committed on 2024-11-21 21:08:42 UTC
  sci-chemistry/gromacs/gromacs-2023.5.ebuild
- sci-chemistry/gromacs: also drop x86 keyword on prefix for 2024+
  4c43e01
  Alexey Shvetsov committed on 2024-11-21 10:25:11 UTC
  sci-chemistry/gromacs/gromacs-2024.3.ebuildsci-chemistry/gromacs/gromacs-2024.4.ebuildsci-chemistry/gromacs/gromacs-2024.9999.ebuildsci-chemistry/gromacs/gromacs-2025.0_beta.ebuildsci-chemistry/gromacs/gromacs-2025.9999.ebuildsci-chemistry/gromacs/gromacs-9999.ebuild
- sci-chemistry/gromacs: drop x86-32 since upstream already did it
  bea8aaa
  Alexey Shvetsov committed on 2024-11-21 08:17:27 UTC
  sci-chemistry/gromacs/gromacs-2024.3.ebuildsci-chemistry/gromacs/gromacs-2024.4.ebuildsci-chemistry/gromacs/gromacs-2024.9999.ebuild
- sci-chemistry/gromacs: Fix build with gcc-15
  534ae4e
  Alexey Shvetsov committed on 2024-11-21 08:13:37 UTC
  sci-chemistry/gromacs/files/gromacs-gcc-15.patchsci-chemistry/gromacs/gromacs-2024.3.ebuildsci-chemistry/gromacs/gromacs-2024.4.ebuildsci-chemistry/gromacs/gromacs-2025.0_beta.ebuild
- sci-chemistry/gromacs: add 2024.4
  a557bd0
  Alexey Shvetsov committed on 2024-11-21 07:45:17 UTC
  sci-chemistry/gromacs/gromacs-2024.4.ebuildsci-chemistry/gromacs/Manifest
- sci-chemistry/gromacs: drop 2024
  6ced22b
  Alexey Shvetsov committed on 2024-11-21 07:43:42 UTC
  sci-chemistry/gromacs/Manifestsci-chemistry/gromacs/gromacs-2024.ebuild
- sci-chemistry/gromacs: add first beta for 2025 release
  2a5d3a5
  Alexey Shvetsov committed on 2024-11-21 07:43:16 UTC
  sci-chemistry/gromacs/gromacs-2025.0_beta.ebuildsci-chemistry/gromacs/gromacs-2025.9999.ebuildsci-chemistry/gromacs/Manifestsci-chemistry/gromacs/gromacs-9999.ebuild
Commits on 2024-10-25
- sci-chemistry/gromacs: Re-enable man-pages
  c54af2f
  Alexey Shvetsov committed on 2024-10-25 12:19:06 UTC
  sci-chemistry/gromacs/gromacs-9999.ebuild
- sci-chemistry/gromacs: drop upstreamed patch
  2aa68c4
  Alexey Shvetsov committed on 2024-10-25 11:07:42 UTC
  sci-chemistry/gromacs/gromacs-9999.ebuildsci-chemistry/gromacs/files/gromacs-9999-Fix-build-with-torch.patch
Commits on 2024-10-20
- sci-chemistry/gromacs: Sync patch with upstreamed one
  cbb7396
  Alexey Shvetsov committed on 2024-10-20 12:15:30 UTC
  sci-chemistry/gromacs/files/gromacs-9999-Fix-build-with-torch.patchsci-chemistry/gromacs/gromacs-9999.ebuild
Commits on 2024-10-19
- sci-chemistry/gromacs: Correct depend when openmp is enabled
  31a956f
  Alexey Shvetsov committed on 2024-10-19 18:43:45 UTC
  sci-chemistry/gromacs/gromacs-2020.7-r1.ebuildsci-chemistry/gromacs/gromacs-2021.7-r1.ebuildsci-chemistry/gromacs/gromacs-2022.6.ebuildsci-chemistry/gromacs/gromacs-2023.5.ebuildsci-chemistry/gromacs/gromacs-2023.9999.ebuildsci-chemistry/gromacs/gromacs-2024.3.ebuildsci-chemistry/gromacs/gromacs-2024.9999.ebuildsci-chemistry/gromacs/gromacs-9999.ebuild
- sci-chemistry/gromacs: Update live version
  fa7e24c
  Alexey Shvetsov committed on 2024-10-19 18:43:44 UTC
  sci-chemistry/gromacs/files/gromacs-9999-Fix-build-with-torch.patchsci-chemistry/gromacs/gromacs-9999.ebuildsci-chemistry/gromacs/metadata.xml
Commits on 2024-10-18
- sci-chemistry/gromacs: drop 2024.1, 2024.2
  24c7b28
  Alexey Shvetsov committed on 2024-10-18 06:03:35 UTC
  sci-chemistry/gromacs/Manifestsci-chemistry/gromacs/gromacs-2024.1.ebuildsci-chemistry/gromacs/gromacs-2024.2.ebuild
- sci-chemistry/gromacs: add 2024.3
  191813a
  Alexey Shvetsov committed on 2024-10-18 06:03:18 UTC
  sci-chemistry/gromacs/gromacs-2024.3.ebuildsci-chemistry/gromacs/Manifest
- sci-chemistry/gromacs: drop 2023.4
  e7f01c1
  Alexey Shvetsov committed on 2024-10-18 06:02:37 UTC
  sci-chemistry/gromacs/Manifestsci-chemistry/gromacs/gromacs-2023.4.ebuild
- sci-chemistry/gromacs: add 2023.5
  e410616
  Alexey Shvetsov committed on 2024-10-18 06:02:06 UTC
  sci-chemistry/gromacs/gromacs-2023.5.ebuildsci-chemistry/gromacs/Manifest
Commits on 2024-06-23
- sci-chemistry/gromacs: Add ~riscv keyword
  1681823
  Alexey Shvetsov committed on 2024-06-23 20:21:50 UTC
  sci-chemistry/gromacs/gromacs-2024.1.ebuildsci-chemistry/gromacs/gromacs-2024.2.ebuildsci-chemistry/gromacs/gromacs-2024.9999.ebuildsci-chemistry/gromacs/gromacs-9999.ebuild
Commits on 2024-05-17
- sci-chemistry/gromacs: add 2024.2
  1fd789f
  Alexey Shvetsov committed on 2024-05-17 06:57:05 UTC
  sci-chemistry/gromacs/gromacs-2024.2.ebuildsci-chemistry/gromacs/Manifest
Commits on 2024-03-26
- sci-chemistry/gromacs: drop 2018.8-r2, 2019.6-r3
  02d7373
  Andreas Sturmlechner committed on 2024-03-26 19:59:18 UTC
  sci-chemistry/gromacs/Manifestsci-chemistry/gromacs/files/gromacs-2019.6-missing-include.patchsci-chemistry/gromacs/gromacs-2018.8-r2.ebuildsci-chemistry/gromacs/gromacs-2019.6-r3.ebuild
Commits on 2024-02-29
- sci-chemistry/gromacs: add 2023.4, drop 2023.3
  6c2b695
  Alexey Shvetsov committed on 2024-02-29 19:56:43 UTC
  sci-chemistry/gromacs/gromacs-2023.4.ebuildsci-chemistry/gromacs/Manifestsci-chemistry/gromacs/gromacs-2023.3.ebuild
- sci-chemistry/gromacs: drop 2022.9999
  58ab10a
  Alexey Shvetsov committed on 2024-02-29 19:47:37 UTC
  sci-chemistry/gromacs/gromacs-2022.9999.ebuild
- sci-chemistry/gromacs: drop 2021.6
  947fdb1
  Alexey Shvetsov committed on 2024-02-29 19:44:54 UTC
  sci-chemistry/gromacs/Manifestsci-chemistry/gromacs/gromacs-2021.6.ebuild
- sci-chemistry/gromacs: drop 2022.5-r1
  e3b4663
  Alexey Shvetsov committed on 2024-02-29 19:44:21 UTC
  sci-chemistry/gromacs/Manifestsci-chemistry/gromacs/gromacs-2022.5-r1.ebuild
- sci-chemistry/gromacs: drop 2023.1-r1, 2023.2
  6f41d89
  Alexey Shvetsov committed on 2024-02-29 19:43:41 UTC
  sci-chemistry/gromacs/Manifestsci-chemistry/gromacs/gromacs-2023.1-r1.ebuildsci-chemistry/gromacs/gromacs-2023.2.ebuild
- sci-chemistry/gromacs: add 2024.1
  bbf793a
  Alexey Shvetsov committed on 2024-02-29 19:41:27 UTC
  sci-chemistry/gromacs/gromacs-2024.1.ebuildsci-chemistry/gromacs/Manifest
Commits on 2024-02-01
- sci-chemistry/gromacs: add 2024, drop 2024_rc
  58401fa
  Alexey Shvetsov committed on 2024-02-01 13:06:17 UTC
  sci-chemistry/gromacs/gromacs-2024.ebuildsci-chemistry/gromacs/Manifestsci-chemistry/gromacs/gromacs-2024_rc.ebuild