Chemistry Project – Gentoo Packages

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Latest Commits

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
- sci-chemistry/molmol: Consolidate patches, remove seds, pin C to gnu17
  48960a5
  NHOrus authored and Sam James committed on 2025-02-19 18:04:09 UTC
  sci-chemistry/molmol/files/molmol-2k_p2-transform-makefiles.patchsci-chemistry/molmol/molmol-2k_p2-r10.ebuild
Commits on 2025-02-10
- sci-chemistry/gperiodic: update EAPI 7 -> 8, incompatible pointer types
  2f719e9
  NHOrus authored and Sam James committed on 2025-02-10 09:26:45 UTC
  sci-chemistry/gperiodic/files/gperiodic-3.0.3-incompatible-pointers.patchsci-chemistry/gperiodic/gperiodic-3.0.3-r1.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 2024-12-26
- sci-chemistry/vmd: add binding := to fltk, soname changed
  fc51074
  Ionen Wolkens committed on 2024-12-26 17:48:34 UTC
  sci-chemistry/vmd/vmd-1.9.4_alpha57-r2.ebuildsci-chemistry/vmd/vmd-1.9.4_alpha57-r3.ebuildsci-chemistry/vmd/vmd-1.9.4_alpha57-r1.ebuildsci-chemistry/vmd/vmd-1.9.4_alpha57.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
  llvm-core/clang/Manifestllvm-core/clang/clang-15.0.7-r3.ebuildllvm-core/clang/clang-16.0.6.ebuildllvm-core/clang/clang-17.0.6.ebuildllvm-core/clang/clang-18.1.8-r6.ebuildllvm-core/clang/clang-19.1.4.ebuildllvm-core/clang/clang-19.1.5.ebuildllvm-core/clang/clang-20.0.0.9999.ebuildllvm-core/clang/clang-20.0.0_pre20241207.ebuildllvm-core/clang/metadata.xmlapp-crypt/rpm-sequoia/rpm-sequoia-1.6.0-r1.ebuildapp-crypt/rpm-sequoia/rpm-sequoia-1.7.0-r1.ebuildapp-crypt/sequoia-chameleon-gnupg/sequoia-chameleon-gnupg-0.10.0-r1.ebuildapp-crypt/sequoia-chameleon-gnupg/sequoia-chameleon-gnupg-0.10.1-r1.ebuildapp-crypt/sequoia-chameleon-gnupg/sequoia-chameleon-gnupg-0.8.0-r1.ebuildapp-crypt/sequoia-chameleon-gnupg/sequoia-chameleon-gnupg-0.9.0-r1.ebuildapp-crypt/sequoia-sq/sequoia-sq-0.35.0-r1.ebuildapp-crypt/sequoia-sq/sequoia-sq-0.36.0-r1.ebuildapp-crypt/sequoia-sq/sequoia-sq-0.37.0-r1.ebuildapp-crypt/sequoia-sqv/sequoia-sqv-1.2.1-r1.ebuildapp-editors/zed/zed-0.155.2-r1.ebuildapp-editors/zed/zed-0.159.10-r1.ebuildapp-editors/zed/zed-0.160.7-r1.ebuildapp-forensics/aflplusplus/aflplusplus-4.21c.ebuildapp-forensics/aflplusplus/aflplusplus-4.30c.ebuildapp-office/libreoffice/libreoffice-24.2.4.2-r1.ebuildapp-office/libreoffice/libreoffice-24.2.6.2.ebuildapp-office/libreoffice/libreoffice-24.2.7.2.ebuildapp-office/libreoffice/libreoffice-24.2.9999.ebuildapp-office/libreoffice/libreoffice-9999.ebuildsys-devel/clang/Manifestsys-devel/clang/clang-15.0.7-r3.ebuildsys-devel/clang/clang-16.0.6.ebuildsys-devel/clang/clang-17.0.6.ebuildsys-devel/clang/clang-18.1.8-r6.ebuildsys-devel/clang/clang-19.1.4.ebuildsys-devel/clang/clang-19.1.5.ebuildsys-devel/clang/clang-20.0.0.9999.ebuildsys-devel/clang/clang-20.0.0_pre20241207.ebuildsys-devel/clang/metadata.xml...
- Move {sys-devel → llvm-core}/clang-runtime
  6aa98b9
  Michał Górny committed on 2024-12-11 11:53:16 UTC
  llvm-core/clang-runtime/clang-runtime-15.0.7.ebuildllvm-core/clang-runtime/clang-runtime-16.0.6.ebuildllvm-core/clang-runtime/clang-runtime-17.0.6.ebuildllvm-core/clang-runtime/clang-runtime-18.1.8.ebuildllvm-core/clang-runtime/clang-runtime-19.1.4.ebuildllvm-core/clang-runtime/clang-runtime-19.1.5.ebuildllvm-core/clang-runtime/clang-runtime-20.0.0.9999.ebuildllvm-core/clang-runtime/clang-runtime-20.0.0_pre20241207.ebuildllvm-core/clang-runtime/metadata.xmlapp-crypt/libb2/libb2-0.98.1-r3.ebuilddev-libs/oneDNN/oneDNN-3.5.3.ebuilddev-libs/oneDNN/oneDNN-3.6.2.ebuilddev-libs/rocm-comgr/rocm-comgr-5.1.3-r3.ebuilddev-libs/rocm-comgr/rocm-comgr-5.3.3-r2.ebuilddev-libs/rocm-comgr/rocm-comgr-5.4.3-r1.ebuilddev-libs/rocm-comgr/rocm-comgr-5.5.1.ebuilddev-libs/rocm-comgr/rocm-comgr-5.7.1.ebuilddev-libs/rocm-comgr/rocm-comgr-6.1.1.ebuilddev-libs/rocm-comgr/rocm-comgr-6.1.2.ebuilddev-libs/rocm-comgr/rocm-comgr-6.2.4.ebuilddev-util/hip/hip-5.1.3-r4.ebuilddev-util/hip/hip-5.3.3-r3.ebuilddev-util/hip/hip-5.4.3.ebuilddev-util/hip/hip-5.5.1.ebuilddev-util/hip/hip-5.7.1-r2.ebuilddev-util/hip/hip-6.1.1.ebuilddev-util/hip/hip-6.1.2.ebuilddev-util/hip/hip-6.2.4.ebuildgui-wm/wayfire/wayfire-0.9.0.ebuildsys-devel/clang-runtime/clang-runtime-15.0.7.ebuildsys-devel/clang-runtime/clang-runtime-16.0.6.ebuildsys-devel/clang-runtime/clang-runtime-17.0.6.ebuildsys-devel/clang-runtime/clang-runtime-18.1.8.ebuildsys-devel/clang-runtime/clang-runtime-19.1.4.ebuildsys-devel/clang-runtime/clang-runtime-19.1.5.ebuildsys-devel/clang-runtime/clang-runtime-20.0.0.9999.ebuildsys-devel/clang-runtime/clang-runtime-20.0.0_pre20241207.ebuildsys-devel/clang-runtime/metadata.xml...
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 2024-12-06
- sci-chemistry/pymol: remove unused patch
  860b8be
  Michael Mair-Keimberger authored and Conrad Kostecki committed on 2024-12-06 23:11:31 UTC
  sci-chemistry/pymol/files/pymol-2.5.0-format-security.patch
Commits on 2024-11-30
- dev-scheme/goosh: drop 1.3-r2
  06f9d44
  Sam James committed on 2024-11-30 13:51:06 UTC
  dev-scheme/goosh/goosh-1.3-r2.ebuild
Commits on 2024-11-25
- sci-chemistry/avogadro2: drop 1.95.1
  2bd0bd8
  Andreas Sturmlechner committed on 2024-11-25 15:29:59 UTC
  sci-chemistry/avogadro2/Manifestsci-chemistry/avogadro2/avogadro2-1.95.1.ebuild
- sci-libs/avogadrolibs: drop 1.95.1-r1
  be58a2e
  Andreas Sturmlechner committed on 2024-11-25 15:29:59 UTC
  sci-libs/avogadrolibs/Manifestsci-libs/avogadrolibs/avogadrolibs-1.95.1-r1.ebuildsci-libs/avogadrolibs/files/avogadrolibs-1.95.1-usability_backport.patch
- 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/pymol: drop 3.0.0
  241d794
  Andreas Sturmlechner committed on 2024-11-23 17:30:48 UTC
  sci-chemistry/pymol/Manifestsci-chemistry/pymol/pymol-3.0.0.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
- Rename dev-python/{PyQt5 → pyqt5}
  37d48fa
  Michał Górny committed on 2024-11-23 11:42:11 UTC
  dev-python/pyqt5/Manifestdev-python/pyqt5/metadata.xmldev-python/pyqt5/pyqt5-5.15.11.ebuildapp-admin/setools/setools-4.4.4.ebuildapp-backup/backintime/backintime-1.3.3-r1.ebuildapp-backup/backintime/backintime-1.4.3-r1.ebuildapp-editors/qhexedit2/qhexedit2-0.8.9_p20210525-r3.ebuildapp-editors/retext/retext-7.2.3.ebuildapp-emulation/fs-uae-launcher/fs-uae-launcher-3.1.70.ebuildapp-portage/elogviewer/elogviewer-3.2-r1.ebuildapp-portage/elogviewer/elogviewer-3.2.ebuildapp-text/calibre/calibre-5.44.0-r5.ebuildapp-text/krop/krop-0.6.0-r2.ebuildapp-text/krop/krop-0.6.0-r3.ebuildapp-text/sigil/sigil-2.2.1.ebuilddev-python/libsass/libsass-0.23.0.ebuilddev-python/matplotlib/matplotlib-3.9.0-r1.ebuilddev-python/matplotlib/matplotlib-3.9.1.ebuilddev-python/matplotlib/matplotlib-3.9.2.ebuilddev-python/pandas/pandas-2.2.3.ebuilddev-python/pyperclip/pyperclip-1.8.2-r1.ebuilddev-python/pyperclip/pyperclip-1.9.0.ebuilddev-python/pyqtgraph/pyqtgraph-0.13.7.ebuilddev-python/PyQt5/Manifestdev-python/PyQt5/PyQt5-5.15.11.ebuilddev-python/PyQt5/metadata.xml...
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 2024-11-19
- dev-scheme/goosh: Stabilize 1.3-r100 x86, #942834
  9f5fc0f
  Sam James committed on 2024-11-19 14:08:29 UTC
  dev-scheme/goosh/goosh-1.3-r100.ebuild
Commits on 2024-11-12
- */*: rename account andrewammerlaan -> nowa
  18c1240
  Nowa Ammerlaan committed on 2024-11-12 18:13:56 UTC
  .mailmapapp-crypt/sbsigntools/metadata.xmlapp-emulation/virt-firmware/metadata.xmlapp-misc/ddcui/metadata.xmlapp-portage/command-not-found/command-not-found-0.0.6.ebuildapp-portage/command-not-found/metadata.xmlapp-text/zotero-bin/metadata.xmldev-lang/sassc/metadata.xmldev-libs/libsass/metadata.xmldev-python/QtPy/metadata.xmldev-python/dictdiffer/metadata.xmldev-python/email-validator/metadata.xmldev-python/ghp-import/metadata.xmldev-python/libsass/metadata.xmldev-python/mdx-gh-links/metadata.xmldev-python/mergedeep/metadata.xmldev-python/mkautodoc/metadata.xmldev-python/mkdocs-bootstrap/metadata.xmldev-python/mkdocs-bootswatch/metadata.xmldev-python/mkdocs-get-deps/metadata.xml...
Commits on 2024-11-03
- sci-chemistry/psi: update EAPI 7 -> 8
  377d715
  David Seifert committed on 2024-11-03 17:43:44 UTC
  sci-chemistry/psi/files/psi-3.4.0-C99.patchsci-chemistry/psi/psi-3.4.0-r3.ebuildsci-chemistry/psi/psi-3.4.0-r2.ebuild
Commits on 2024-10-27
- sci-libs/inchi: drop 1.04-r1
  3b836b6
  Andreas K. Hüttel committed on 2024-10-27 20:55:59 UTC
  sci-libs/inchi/Manifestsci-libs/inchi/files/inchi-1.03-shared.patchsci-libs/inchi/inchi-1.04-r1.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 2024-10-17
- sci-chemistry/molmol: drop 2k_p2-r8
  07f203f
  Pacho Ramos committed on 2024-10-17 13:58:08 UTC
  sci-chemistry/molmol/molmol-2k_p2-r8.ebuild