Chemistry Project – Gentoo Packages

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Latest Commits

Commits on 2026-07-08
- sci-libs/inchi: Stabilize 1.07.5 amd64, #978899
  fd7ad0e
  Eli Schwartz committed on 2026-07-08 02:33:14 UTC
  sci-libs/inchi/inchi-1.07.5.ebuild
- sci-libs/inchi: Stabilize 1.07.5 ppc64, #978899
  36c944b
  Eli Schwartz committed on 2026-07-08 02:33:14 UTC
  sci-libs/inchi/inchi-1.07.5.ebuild
- sci-chemistry/openbabel: Stabilize 3.2.0 amd64, #978896
  bdbb689
  Eli Schwartz committed on 2026-07-08 02:33:12 UTC
  sci-chemistry/openbabel/openbabel-3.2.0.ebuild
Commits on 2026-06-30
- sci-chemistry/gromacs: drop 2026.0, 2026.1
  81a1bcb
  Alexey Shvetsov committed on 2026-06-30 09:24:29 UTC
  sci-chemistry/gromacs/Manifestsci-chemistry/gromacs/gromacs-2026.0.ebuildsci-chemistry/gromacs/gromacs-2026.1.ebuild
- sci-chemistry/gromacs: add 2026.3
  6cba7eb
  Alexey Shvetsov committed on 2026-06-30 09:23:27 UTC
  sci-chemistry/gromacs/gromacs-2026.3.ebuildsci-chemistry/gromacs/Manifest
Commits on 2026-06-19
- sci-chemistry/gromacs: Stabilize 2026.2 amd64, #976238
  9355827
  Eli Schwartz committed on 2026-06-19 18:03:41 UTC
  sci-chemistry/gromacs/gromacs-2026.2.ebuild
- sci-chemistry/gromacs: Stabilize 2026.2 arm64, #976238
  0383258
  Eli Schwartz committed on 2026-06-19 18:03:24 UTC
  sci-chemistry/gromacs/gromacs-2026.2.ebuild
Commits on 2026-06-13
- sci-chemistry/molmol: drop 2k_p2-r9
  69322a8
  Pacho Ramos committed on 2026-06-13 08:55:01 UTC
  sci-chemistry/molmol/molmol-2k_p2-r9.ebuild
- sci-chemistry/molmol: Needs to be rebuild when motif subslot changes
  0b36498
  Pacho Ramos committed on 2026-06-13 08:55:00 UTC
  sci-chemistry/molmol/molmol-2k_p2-r11.ebuildsci-chemistry/molmol/molmol-2k_p2-r10.ebuild
Commits on 2026-06-07
- sci-chemistry/ParmEd: add 4.3.1
  dc32c0e
  Pacho Ramos committed on 2026-06-07 11:25:07 UTC
  sci-chemistry/ParmEd/ParmEd-4.3.1.ebuildsci-chemistry/ParmEd/files/ParmEd-4.3.1-network-tests.patchsci-chemistry/ParmEd/files/ParmEd-4.3.1-openmm-tests.patchsci-chemistry/ParmEd/Manifest
- sci-chemistry/propka: Support python 3.14
  a788803
  Pacho Ramos committed on 2026-06-07 11:25:05 UTC
  sci-chemistry/propka/files/propka-3.5.1-python3.14.patchsci-chemistry/propka/propka-3.5.1-r1.ebuild
Commits on 2026-06-05
- sci-chemistry/openbabel: drop 9999
  85736e8
  Nicolas PARLANT authored and Sam James committed on 2026-06-05 16:54:59 UTC
  sci-chemistry/openbabel/openbabel-9999.ebuild
- sci-chemistry/openbabel: drop 3.1.1_p20241221-r2
  680d238
  Nicolas PARLANT authored and Sam James committed on 2026-06-05 16:54:58 UTC
  sci-chemistry/openbabel/openbabel-3.1.1_p20241221-r2.ebuild
- sci-chemistry/openbabel: add 3.2.0
  c8d4dbf
  Nicolas PARLANT authored and Sam James committed on 2026-06-05 16:54:58 UTC
  sci-chemistry/openbabel/files/openbabel-3.2.0-cflags.patchsci-chemistry/openbabel/files/openbabel-3.2.0-system_inchi.patchsci-chemistry/openbabel/files/openbabel-python-3.2.cmakesci-chemistry/openbabel/openbabel-3.2.0.ebuildsci-chemistry/openbabel/Manifest
- sci-libs/inchi: add 1.07.5 w/ cmake and testsuite
  2827939
  Nicolas PARLANT authored and Sam James committed on 2026-06-05 16:54:58 UTC
  sci-libs/inchi/files/inchi-1.07.5-flags.patchsci-libs/inchi/files/inchi-1.07.5-unbundle_gtest.patchsci-libs/inchi/inchi-1.07.5.ebuildsci-libs/inchi/Manifestsci-libs/inchi/metadata.xml
Commits on 2026-05-29
- sci-libs/avogadrolibs: add := to dev-cpp/eigen
  f7786d5
  Paul Zander authored and Sam James committed on 2026-05-29 06:14:22 UTC
  sci-libs/avogadrolibs/avogadrolibs-1.103.0.ebuildsci-libs/avogadrolibs/avogadrolibs-2.0.0.ebuild
- sci-chemistry/openbabel: add := to dev-cpp/eigen
  5a3f81f
  Paul Zander authored and Sam James committed on 2026-05-29 06:14:21 UTC
  sci-chemistry/openbabel/openbabel-3.1.1_p20241221-r2.ebuildsci-chemistry/openbabel/openbabel-3.1.1_p20241221-r4.ebuildsci-chemistry/openbabel/openbabel-9999.ebuild
- sci-chemistry/avogadro2: add := to dev-cpp/eigen
  e4bd9e3
  Paul Zander authored and Sam James committed on 2026-05-29 06:14:21 UTC
  sci-chemistry/avogadro2/avogadro2-1.103.0.ebuildsci-chemistry/avogadro2/avogadro2-2.0.0.ebuild
Commits on 2026-05-09
- sci-chemistry/vmd: enable py3.14
  84581b4
  Pacho Ramos committed on 2026-05-09 16:44:44 UTC
  sci-chemistry/vmd/vmd-1.9.4_alpha57-r4.ebuild
Commits on 2026-05-08
- sci-chemistry/gromacs: enable py3.14
  a9252d2
  Alexey Shvetsov committed on 2026-05-08 11:20:47 UTC
  sci-chemistry/gromacs/gromacs-2023.5.ebuildsci-chemistry/gromacs/gromacs-2024.6.ebuildsci-chemistry/gromacs/gromacs-2025.3.ebuildsci-chemistry/gromacs/gromacs-2025.4.ebuildsci-chemistry/gromacs/gromacs-2026.0.ebuildsci-chemistry/gromacs/gromacs-2026.1.ebuildsci-chemistry/gromacs/gromacs-2026.2.ebuildsci-chemistry/gromacs/gromacs-2026.9999.ebuildsci-chemistry/gromacs/gromacs-9999.ebuild
- sci-chemistry/pymol: enable py3.14
  095a310
  Alexey Shvetsov committed on 2026-05-08 11:20:47 UTC
  sci-chemistry/pymol/pymol-3.1.0-r1.ebuild
Commits on 2026-05-06
- sci-chemistry/gromacs: Version bump
  f130f35
  Alexey Shvetsov committed on 2026-05-06 09:40:50 UTC
  sci-chemistry/gromacs/gromacs-2026.2.ebuildsci-chemistry/gromacs/Manifestsci-chemistry/gromacs/gromacs-2026.9999.ebuild
Commits on 2026-05-04
- sci-chemistry/gromacs: Fix build on musl systems
  fa47a61
  Alexey Shvetsov committed on 2026-05-04 21:17:42 UTC
  sci-chemistry/gromacs/files/gromacs-musl.patchsci-chemistry/gromacs/gromacs-2024.6.ebuildsci-chemistry/gromacs/gromacs-2025.4.ebuildsci-chemistry/gromacs/gromacs-2026.0.ebuildsci-chemistry/gromacs/gromacs-2026.1.ebuild
- sci-chemistry/gromacs: drop 2025.9999
  6074fe4
  Alexey Shvetsov committed on 2026-05-04 21:17:41 UTC
  sci-chemistry/gromacs/gromacs-2025.9999.ebuild
Commits on 2026-05-02
- sci-chemistry/gromacs: fix UnusedLocalUse
  5d96475
  Sam James committed on 2026-05-02 05:02:55 UTC
  sci-chemistry/gromacs/metadata.xml
Commits on 2026-04-09
- sci-chemistry/gelemental: fix USE=doc
  acae728
  Brett A C Sheffield authored and Sam James committed on 2026-04-09 17:16:47 UTC
  sci-chemistry/gelemental/gelemental-2.0.2-r1.ebuild
Commits on 2026-04-04
- sci-chemistry/avogadro2: drop 1.102.1
  d3b473a
  Nicolas PARLANT authored and Sam James committed on 2026-04-04 12:36:45 UTC
  sci-chemistry/avogadro2/Manifestsci-chemistry/avogadro2/avogadro2-1.102.1.ebuild
- sci-chemistry/avogadro2: Bump to 2.0.0
  b369dd6
  Nicolas PARLANT authored and Sam James committed on 2026-04-04 12:36:45 UTC
  sci-chemistry/avogadro2/avogadro2-2.0.0.ebuildsci-chemistry/avogadro2/Manifest
- sci-libs/avogadrolibs: drop 1.102.1
  39837ac
  Nicolas PARLANT authored and Sam James committed on 2026-04-04 12:36:44 UTC
  sci-libs/avogadrolibs/Manifestsci-libs/avogadrolibs/avogadrolibs-1.102.1.ebuild
- sci-libs/avogadrolibs: add 2.0.0
  35ac072
  Nicolas PARLANT authored and Sam James committed on 2026-04-04 12:36:44 UTC
  sci-libs/avogadrolibs/avogadrolibs-2.0.0.ebuildsci-libs/avogadrolibs/Manifest
Commits on 2026-03-08
- sci-chemistry/gromacs: Stabilize 2026.0 arm64, #970977
  205669e
  Eli Schwartz committed on 2026-03-08 05:22:55 UTC
  sci-chemistry/gromacs/gromacs-2026.0.ebuild
- sci-chemistry/gromacs: Stabilize 2026.0 amd64, #970977
  8a24b48
  Sam James committed on 2026-03-08 01:41:02 UTC
  sci-chemistry/gromacs/gromacs-2026.0.ebuild
- sci-chemistry/gromacs: Stabilize 2025.4 amd64, #970974
  1c79ff3
  Sam James committed on 2026-03-08 01:41:00 UTC
  sci-chemistry/gromacs/gromacs-2025.4.ebuild
Commits on 2026-03-07
- sci-chemistry/gromacs: add 2026.1
  5081d26
  Alexey Shvetsov committed on 2026-03-07 16:37:39 UTC
  sci-chemistry/gromacs/gromacs-2026.1.ebuildsci-chemistry/gromacs/Manifest
Commits on 2026-02-24
- sci-chemistry/gelemental: drop 2.0.0-r1
  55d5760
  Andreas Sturmlechner committed on 2026-02-24 21:06:46 UTC
  sci-chemistry/gelemental/Manifestsci-chemistry/gelemental/gelemental-2.0.0-r1.ebuild
Commits on 2026-02-21
- sci-chemistry/gperiodic: drop 3.0.3
  06a7989
  Andreas Sturmlechner committed on 2026-02-21 17:43:26 UTC
  sci-chemistry/gperiodic/gperiodic-3.0.3.ebuild
- sci-chemistry/gperiodic: Stabilize 3.0.3-r1 amd64, #970391
  75bc252
  Arthur Zamarin committed on 2026-02-21 13:13:09 UTC
  sci-chemistry/gperiodic/gperiodic-3.0.3-r1.ebuild
Commits on 2026-02-14
- sci-chemistry/avogadro2: remove sourceforge upstream metadata
  45b4eb2
  Nicolas PARLANT authored and Sam James committed on 2026-02-14 05:17:18 UTC
  sci-chemistry/avogadro2/metadata.xml
- sci-chemistry/avogadro2: drop 1.101.0
  5556e2f
  Nicolas PARLANT authored and Sam James committed on 2026-02-14 05:17:18 UTC
  sci-chemistry/avogadro2/Manifestsci-chemistry/avogadro2/metadata.xmlsci-chemistry/avogadro2/avogadro2-1.101.0.ebuild
- sci-chemistry/avogadro2: add 1.103.0
  f358e04
  Nicolas PARLANT authored and Sam James committed on 2026-02-14 05:17:18 UTC
  sci-chemistry/avogadro2/avogadro2-1.103.0.ebuildsci-chemistry/avogadro2/Manifestsci-chemistry/avogadro2/metadata.xml
- sci-libs/avogadrolibs: remove sourceforge upstream metadata
  cc77012
  Nicolas PARLANT authored and Sam James committed on 2026-02-14 05:17:17 UTC
  sci-libs/avogadrolibs/metadata.xml
- sci-libs/avogadrolibs: drop 1.101.0
  7a33ca0
  Nicolas PARLANT authored and Sam James committed on 2026-02-14 05:17:17 UTC
  sci-libs/avogadrolibs/Manifestsci-libs/avogadrolibs/metadata.xmlsci-libs/avogadrolibs/avogadrolibs-1.101.0.ebuild
- sci-libs/avogadrolibs: add 1.103.0
  10caada
  Nicolas PARLANT authored and Sam James committed on 2026-02-14 05:17:17 UTC
  sci-libs/avogadrolibs/avogadrolibs-1.103.0.ebuildsci-libs/avogadrolibs/Manifestsci-libs/avogadrolibs/metadata.xml
Commits on 2026-01-28
- sci-chemistry/autodock_vina: drop 1.2.5
  e3a216c
  Andreas Sturmlechner committed on 2026-01-28 18:30:48 UTC
  sci-chemistry/autodock_vina/Manifestsci-chemistry/autodock_vina/autodock_vina-1.2.5.ebuildsci-chemistry/autodock_vina/files/autodock_vina-1.2.5-boost-1.85.patchsci-chemistry/autodock_vina/files/autodock_vina-1.2.5-gentoo.patch
Commits on 2026-01-27
- sci-chemistry/autodock_vina: Stabilize 1.2.7 amd64, #969024
  20c79be
  Eli Schwartz committed on 2026-01-27 09:11:48 UTC
  sci-chemistry/autodock_vina/autodock_vina-1.2.7.ebuild
Commits on 2026-01-26
- sci-chemistry/gromacs: Fix old bug with openmp deps
  b89740b
  Alexey Shvetsov committed on 2026-01-26 10:19:47 UTC
  sci-chemistry/gromacs/gromacs-2023.5.ebuildsci-chemistry/gromacs/gromacs-2024.6.ebuildsci-chemistry/gromacs/gromacs-2025.3.ebuildsci-chemistry/gromacs/gromacs-2025.4.ebuildsci-chemistry/gromacs/gromacs-2025.9999.ebuildsci-chemistry/gromacs/gromacs-2026.0.ebuildsci-chemistry/gromacs/gromacs-2026.9999.ebuildsci-chemistry/gromacs/gromacs-9999.ebuild
- sci-chemistry/gromacs: add 2026.0, drop 2026_rc
  f76b5b1
  Alexey Shvetsov committed on 2026-01-26 07:09:11 UTC
  sci-chemistry/gromacs/gromacs-2026.0.ebuildsci-chemistry/gromacs/Manifestsci-chemistry/gromacs/gromacs-2026_rc.ebuild
Commits on 2026-01-25
- sci-chemistry/openbabel: Stabilize 3.1.1_p20241221-r4 amd64, #969214
  63d29c5
  Eli Schwartz committed on 2026-01-25 07:10:57 UTC
  sci-chemistry/openbabel/openbabel-3.1.1_p20241221-r4.ebuild
Commits on 2026-01-16
- sci-chemistry/autodock_vina: drop 1.1.2-r1
  d9bb26b
  Andreas Sturmlechner committed on 2026-01-16 11:55:57 UTC
  sci-chemistry/autodock_vina/Manifestsci-chemistry/autodock_vina/autodock_vina-1.1.2-r1.ebuildsci-chemistry/autodock_vina/files/1.1.2-gentoo.patchsci-chemistry/autodock_vina/files/autodock_vina-1.1.2-boost-filesystem.patchsci-chemistry/autodock_vina/files/autodock_vina-1.1.2-missing-debug-decl.patch
- sci-chemistry/autodock_vina: add 1.2.7, EAPI-8, fixes build w/ boost-1.89
  8c4e3b7
  Andreas Sturmlechner committed on 2026-01-16 11:55:56 UTC
  sci-chemistry/autodock_vina/autodock_vina-1.2.7.ebuildsci-chemistry/autodock_vina/files/autodock_vina-1.2.7-gentoo.patchsci-chemistry/autodock_vina/Manifest