Chemistry Project – Gentoo Packages

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Latest Commits

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
- sci-chemistry/molmol: Really disable parallel build
  d0bc751
  Pacho Ramos committed on 2024-10-17 13:58:08 UTC
  sci-chemistry/molmol/molmol-2k_p2-r9.ebuild
Commits on 2024-09-28
- sci-chemistry/pymol: Multiple bugfixes
  5a1dfcc
  Pacho Ramos committed on 2024-09-28 14:50:45 UTC
  sci-chemistry/pymol/files/pymol-3.0.0-SceneGetDrawFlag-indexing.patchsci-chemistry/pymol/files/pymol-3.0.0-distutils-py3.12.patchsci-chemistry/pymol/files/pymol-3.0.0-eof-maeffplugin.patchsci-chemistry/pymol/files/pymol-3.0.0-lto-molfile-plugin.patchsci-chemistry/pymol/files/pymol-3.0.0-numpy2.patchsci-chemistry/pymol/files/pymol-3.0.0-py3.12-progress.patchsci-chemistry/pymol/pymol-3.0.0-r1.ebuild
Commits on 2024-09-25
- sci-chemistry/chemical-mime-data: drop 0.1.94-r4 and it's patches
  d391532
  Filip Kobierski authored and Andrew Ammerlaan committed on 2024-09-25 09:32:08 UTC
  sci-chemistry/chemical-mime-data/Manifestsci-chemistry/chemical-mime-data/chemical-mime-data-0.1.94-r4.ebuildsci-chemistry/chemical-mime-data/files/chemical-mime-data-0.1.94-drop-turbomole-vibrational.patchsci-chemistry/chemical-mime-data/files/chemical-mime-data-0.1.94-namespace-svg.patchsci-chemistry/chemical-mime-data/files/chemical-mime-data-0.1.94-pigz.patchsci-chemistry/chemical-mime-data/files/chemical-mime-data-0.1.94-rsvg-convert-r2.patchsci-chemistry/chemical-mime-data/files/chemical-mime-data-0.1.94-turbomole.patch
- sci-chemistry/GromacsWrapper: remove empty variables
  9520a81
  Filip Kobierski authored and Andrew Ammerlaan committed on 2024-09-25 09:32:07 UTC
  sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.5.ebuild
- sci-chemistry/GromacsWrapper: drop 0.8.4
  655a085
  Filip Kobierski authored and Andrew Ammerlaan committed on 2024-09-25 09:32:06 UTC
  sci-chemistry/GromacsWrapper/Manifestsci-chemistry/GromacsWrapper/GromacsWrapper-0.8.4.ebuild
- sci-chemistry/chemical-mime-data: fix pkgcheck issues
  8fc3110
  Filip Kobierski authored and Andrew Ammerlaan committed on 2024-09-25 09:31:59 UTC
  sci-chemistry/chemical-mime-data/chemical-mime-data-0.1.95_pre20171122.ebuild
Commits on 2024-09-18
- dev-scheme/goosh: switch to new guile mechanism
  52815df
  Alfred Wingate authored and Arsen Arsenović committed on 2024-09-18 13:06:32 UTC
  dev-scheme/goosh/goosh-1.3-r100.ebuildprofiles/package.mask
Commits on 2024-09-05
- sci-chemistry/pymol: mark as LTO-unsafe
  05e4497
  Eli Schwartz committed on 2024-09-05 04:07:45 UTC
  sci-chemistry/pymol/pymol-3.0.0.ebuild
- sci-chemistry/pymol: drop a bunch of dependencies to runtime-only
  045fb68
  Eli Schwartz committed on 2024-09-05 04:07:44 UTC
  sci-chemistry/pymol/pymol-3.0.0.ebuild
Commits on 2024-08-06
- sci-chemistry/tinker: mark as LTO-unsafe
  08a8d3c
  Eli Schwartz committed on 2024-08-06 00:18:31 UTC
  sci-chemistry/tinker/tinker-8.2.1-r1.ebuild
Commits on 2024-07-31
- sci-chemistry/votca: sync live ebuild
  930a949
  Pacho Ramos committed on 2024-07-31 09:23:06 UTC
  sci-chemistry/votca/votca-9999.ebuild
- sci-chemistry/votca: support py3.12
  4143092
  Pacho Ramos committed on 2024-07-31 09:23:05 UTC
  sci-chemistry/votca/votca-2022.1-r1.ebuild
Commits on 2024-07-30
- sci-chemistry/openbabel: sync live ebuild
  f4e00d7
  Pacho Ramos committed on 2024-07-30 21:11:53 UTC
  sci-chemistry/openbabel/openbabel-9999.ebuild
- sci-chemistry/openbabel: enable py3.12
  5d3e567
  Pacho Ramos committed on 2024-07-30 21:11:52 UTC
  sci-chemistry/openbabel/openbabel-3.1.1_p20210225-r1.ebuild
- sci-chemistry/propka: add 3.5.1
  bb7946c
  Pacho Ramos committed on 2024-07-30 21:11:52 UTC
  sci-chemistry/propka/propka-3.5.1.ebuildsci-chemistry/propka/Manifest
Commits on 2024-07-13
- sci-chemistry/autodock_vina: Stabilize 1.2.5 amd64, #935909
  f5b9787
  Arthur Zamarin committed on 2024-07-13 05:22:16 UTC
  sci-chemistry/autodock_vina/autodock_vina-1.2.5.ebuild
Commits on 2024-07-12
- sci-chemistry/autodock_vina: fix build w/ boost-1.85
  e7ea26f
  Sam James committed on 2024-07-12 20:17:28 UTC
  sci-chemistry/autodock_vina/files/autodock_vina-1.2.5-boost-1.85.patchsci-chemistry/autodock_vina/autodock_vina-1.2.5.ebuild
Commits on 2024-07-11
- sci-chemistry/vmd: Fix compat with numpy-2 and don't mess with linking
  8762ad9
  Pacho Ramos committed on 2024-07-11 11:42:13 UTC
  sci-chemistry/vmd/vmd-1.9.4_alpha57-r1.ebuild
- sci-chemistry/molmol: Stabilize 2k_p2-r9 amd64, #935856
  5689cb0
  Jakov Smolić committed on 2024-07-11 11:35:11 UTC
  sci-chemistry/molmol/molmol-2k_p2-r9.ebuild
Commits on 2024-07-05
- sci-chemistry/wxmacmolplt: drop 7.5-r1
  c55a113
  Pacho Ramos committed on 2024-07-05 17:48:55 UTC
  sci-chemistry/wxmacmolplt/Manifestsci-chemistry/wxmacmolplt/files/wxmacmolplt-7.5-glew.patchsci-chemistry/wxmacmolplt/wxmacmolplt-7.5-r1.ebuild
- sci-chemistry/xds-bin: drop 20170930
  8116b3e
  Arthur Zamarin committed on 2024-07-05 13:56:50 UTC
  sci-chemistry/xds-bin/Manifestsci-chemistry/xds-bin/xds-bin-20170930.ebuild
- sci-chemistry/xds-bin: add 20240831
  815238a
  Markus Meier authored and Arthur Zamarin committed on 2024-07-05 13:56:12 UTC
  sci-chemistry/xds-bin/xds-bin-20240831.ebuildsci-chemistry/xds-bin/Manifest
Commits on 2024-06-29
- sci-chemistry/openbabel: drop 3.1.1_p20210225
  c56fcfa
  Andreas Sturmlechner committed on 2024-06-29 17:37:55 UTC
  sci-chemistry/openbabel/openbabel-3.1.1_p20210225.ebuild
Commits on 2024-06-28
- */*: delete some utterly bogus remote-ids
  3b5c0ab
  Eli Schwartz authored and Sam James committed on 2024-06-28 01:15:57 UTC
  app-admin/salt/metadata.xmldev-lang/lazarus/metadata.xmlmedia-video/mkvalidator/metadata.xmlsci-chemistry/gperiodic/metadata.xmlsys-firmware/midisport-firmware/metadata.xml
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 2024-06-21
- sci-chemistry/threeV: EAPI 6 -> 8
  0608a80
  Arthur Zamarin committed on 2024-06-21 14:59:17 UTC
  sci-chemistry/threeV/threeV-1.2-r2.ebuildsci-chemistry/threeV/threeV-1.2-r1.ebuild
Commits on 2024-06-13
- sci-chemistry/elem: unkeyword 1.0.3-r3 for sparc
  85186d7
  Arthur Zamarin committed on 2024-06-13 15:55:15 UTC
  sci-chemistry/elem/elem-1.0.3-r3.ebuild
- sci-chemistry/elem: EAPI 6 -> 8
  24a6062
  Arthur Zamarin committed on 2024-06-13 15:54:39 UTC
  sci-chemistry/elem/elem-1.0.3-r3.ebuildsci-chemistry/elem/elem-1.0.3-r2.ebuild
Commits on 2024-06-05
- sci-chemistry/vmd: enable py3.12
  435b1ef
  Alexey Shvetsov committed on 2024-06-05 17:27:32 UTC
  sci-chemistry/vmd/vmd-1.9.4_alpha57.ebuild
Commits on 2024-05-18
- sci-chemistry/molmol: Fix pkgcheck warnings
  9fda8b0
  Pacho Ramos committed on 2024-05-18 10:56:46 UTC
  sci-chemistry/molmol/molmol-2k_p2-r9.ebuild
- sci-chemistry/molmol: Fix passing incompatible pointer type
  ee8c3c4
  Brahmajit Das authored and Pacho Ramos committed on 2024-05-18 10:51:20 UTC
  sci-chemistry/molmol/files/molmol-2k_p2-gcc14-fix.patchsci-chemistry/molmol/molmol-2k_p2-r9.ebuild
Commits on 2024-05-17
- sci-chemistry/pymol: Update to 3.0.0 and drop old
  dfe0f62
  Alexey Shvetsov committed on 2024-05-17 19:20:35 UTC
  sci-chemistry/pymol/pymol-3.0.0.ebuildsci-chemistry/pymol/Manifestsci-chemistry/pymol/pymol-2.5.0-r3.ebuildsci-chemistry/pymol/pymol-2.5.0-r5.ebuild
- 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
- sci-chemistry/modeller: add 10.5, drop 9.25
  32e720f
  Alexey Shvetsov committed on 2024-05-17 06:57:05 UTC
  sci-chemistry/modeller/files/modeller-10.5-fix-except.patchsci-chemistry/modeller/modeller-10.5.ebuildsci-chemistry/modeller/Manifestsci-chemistry/modeller/modeller-9.25.ebuild
Commits on 2024-05-13
- sci-chemistry/pymol: OFL license has been renamed to OFL-1.0
  3408011
  Ulrich Müller committed on 2024-05-13 16:05:30 UTC
  sci-chemistry/pymol/pymol-2.5.0-r5.ebuildsci-chemistry/pymol/pymol-2.5.0-r3.ebuildsci-chemistry/pymol/pymol-2.5.0-r4.ebuild
Commits on 2024-04-30
- */*: inline mirror://sourceforge
  794061a
  Lucio Sauer authored and Michał Górny committed on 2024-04-30 18:21:05 UTC
  app-accessibility/epos/epos-2.5.37-r3.ebuildapp-accessibility/freetts/freetts-1.2.2-r2.ebuildapp-accessibility/sphinx2/sphinx2-0.6-r1.ebuildapp-accessibility/yasr/yasr-0.6.9-r1.ebuildapp-admin/chroot_safe/chroot_safe-1.4-r1.ebuildapp-admin/cpulimit/cpulimit-2.8.ebuildapp-admin/fetchlog/fetchlog-1.4-r2.ebuildapp-admin/filewatcher/filewatcher-2.4.6-r1.ebuildapp-admin/genromfs/genromfs-0.5.2.ebuildapp-admin/keepass/keepass-2.49.ebuildapp-admin/keepass/keepass-2.53.ebuildapp-admin/keepass/keepass-2.56.ebuildapp-admin/logsurfer+/logsurfer+-1.8-r5.ebuildapp-admin/mktwpol/mktwpol-1.0.1-r1.ebuildapp-admin/petrovich/petrovich-1.0.0-r2.ebuildapp-admin/procinfo-ng/procinfo-ng-2.0.304-r2.ebuildapp-admin/pwgen/pwgen-2.08-r1.ebuildapp-admin/pwgen/pwgen-2.08-r2.ebuildapp-admin/quickswitch/quickswitch-1.05.ebuildapp-admin/sshguard/sshguard-2.4.3.ebuild...
- */*: inline mirror://sourceforge
  794061a
  Lucio Sauer authored and Michał Górny committed on 2024-04-30 18:21:05 UTC
  app-accessibility/epos/epos-2.5.37-r3.ebuildapp-accessibility/freetts/freetts-1.2.2-r2.ebuildapp-accessibility/sphinx2/sphinx2-0.6-r1.ebuildapp-accessibility/yasr/yasr-0.6.9-r1.ebuildapp-admin/chroot_safe/chroot_safe-1.4-r1.ebuildapp-admin/cpulimit/cpulimit-2.8.ebuildapp-admin/fetchlog/fetchlog-1.4-r2.ebuildapp-admin/filewatcher/filewatcher-2.4.6-r1.ebuildapp-admin/genromfs/genromfs-0.5.2.ebuildapp-admin/keepass/keepass-2.49.ebuildapp-admin/keepass/keepass-2.53.ebuildapp-admin/keepass/keepass-2.56.ebuildapp-admin/logsurfer+/logsurfer+-1.8-r5.ebuildapp-admin/mktwpol/mktwpol-1.0.1-r1.ebuildapp-admin/petrovich/petrovich-1.0.0-r2.ebuildapp-admin/procinfo-ng/procinfo-ng-2.0.304-r2.ebuildapp-admin/pwgen/pwgen-2.08-r1.ebuildapp-admin/pwgen/pwgen-2.08-r2.ebuildapp-admin/quickswitch/quickswitch-1.05.ebuildapp-admin/sshguard/sshguard-2.4.3.ebuild...
- */*: inline mirror://sourceforge
  794061a
  Lucio Sauer authored and Michał Górny committed on 2024-04-30 18:21:05 UTC
  app-accessibility/epos/epos-2.5.37-r3.ebuildapp-accessibility/freetts/freetts-1.2.2-r2.ebuildapp-accessibility/sphinx2/sphinx2-0.6-r1.ebuildapp-accessibility/yasr/yasr-0.6.9-r1.ebuildapp-admin/chroot_safe/chroot_safe-1.4-r1.ebuildapp-admin/cpulimit/cpulimit-2.8.ebuildapp-admin/fetchlog/fetchlog-1.4-r2.ebuildapp-admin/filewatcher/filewatcher-2.4.6-r1.ebuildapp-admin/genromfs/genromfs-0.5.2.ebuildapp-admin/keepass/keepass-2.49.ebuildapp-admin/keepass/keepass-2.53.ebuildapp-admin/keepass/keepass-2.56.ebuildapp-admin/logsurfer+/logsurfer+-1.8-r5.ebuildapp-admin/mktwpol/mktwpol-1.0.1-r1.ebuildapp-admin/petrovich/petrovich-1.0.0-r2.ebuildapp-admin/procinfo-ng/procinfo-ng-2.0.304-r2.ebuildapp-admin/pwgen/pwgen-2.08-r1.ebuildapp-admin/pwgen/pwgen-2.08-r2.ebuildapp-admin/quickswitch/quickswitch-1.05.ebuildapp-admin/sshguard/sshguard-2.4.3.ebuild...