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dev-python/gemmi

library for structural biology

Screenshots

  • gemmi-0.7.5
    ~amd64 ~x86
    python_targets_python3_12 python_targets_python3_13 python_targets_python3_14

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    Overlay: stuff
  • gemmi-0.7.3
    ~amd64 ~x86
    python_targets_python3_12 python_targets_python3_13 python_targets_python3_14

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    Overlay: stuff
  • gemmi-0.5.7
    ~amd64 ~x86
    python_targets_python3_12 python_targets_python3_13 python_targets_python3_14

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    Overlay: stuff

ChangeLog

commit 946b3d5e6f85aa6d17632eb69d8c14152e056548
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Wed Apr 29 23:16:52 2026 +0200

*/*: normalize metadata.xml DTD URL and indent

Repo-wide sweep: 144 metadata.xml files updated to use the
https://www.gentoo.org/dtd/metadata.dtd DTD URL (was http://) and
2-space indentation (was tabs). Maintainer blocks left untouched —
the 2026-04-22 normalization sweep added <name> alongside <email>
where the maintainer was Ivan, but third-party maintainer entries
(lebedev.vasya@gmail.com, megagreener@gmail.com, brothermechanic@gmail.com,
etc.) keep their email-only blocks since we can't safely guess the
corresponding <name>.

pkgcheck stays silent on all metadata-* and maintainer-* checks.

commit a727bf8fc27a3425469b979c4b0d7dafc35a9cd8
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Wed Apr 29 12:58:41 2026 +0200

dev-python/gemmi: split build helpers from RDEPEND

The ebuilds pinned pybind11 and cython into RDEPEND across all three
versions, but those are build-time only:

- 0.5.7's setup.py declares no install_requires and only
setup_requires=['pybind11>=...']; cython is not used at all.
- 0.7.3 and 0.7.5 migrated to scikit-build-core + nanobind>=2.4
(per [build-system].requires); pybind11 and cython are no longer
involved in any phase.

Move pybind11 (0.5.7) and nanobind>=2.4 (0.7.x) to BDEPEND, drop
cython, and keep numpy + virtual/zlib in RDEPEND: numpy is required
at runtime for the C-extension's array interop even though upstream
neglects to declare it, and zlib is linked dynamically.

commit dbd1e4bfda8567ea4643a564c8c90aaff5bd689b
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Tue Apr 28 23:58:26 2026 +0200

dev-python/gemmi: drop bogus python USE flag

Drop IUSE='doc python', REQUIRED_USE='python? ( $ )',
and doc? ( dev-util/gtk-doc ) from DEPEND across 0.5.7, 0.7.3, 0.7.5.
Standard distutils-r1 cleanup.

commit 59e4ef5bd9d49a6acb76922ac01da87a62ffff46
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Wed Apr 22 15:02:59 2026 +0200

dev-python/gemmi: add 0.7.5

commit b91cd93a12cb39be1b4976cdc1af27ca13ce34e5
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Tue Apr 21 15:16:42 2026 +0200

*/*: bump PYTHON_COMPAT from python3_ to python3_

::gentoo has dropped python3.11 from most of the scientific Python
stack - scipy, pandas, ipython, sphinx, sympy, etc. all target
python3_ now. Overlay ebuilds still claiming python3_11
support therefore fail to resolve their PYTHON_USEDEP=[...,
python_targets_python3_11(-),...] clauses against those upstream
packages, which is the bulk of pkgcheck's NonsolvableDeps noise.

Sweep PYTHON_COMPAT across the overlay accordingly. Files touched
include 193 pure-python3 ebuilds plus 4 sci-libs/pycifrw ebuilds that
retain the python2_7 target. Commented-out COMPAT lines and one
ebuild using a custom $ array are left alone.

pkgcheck dropped from 710 to 475 lines after this change; specifically
NonsolvableDepsIn{Dev,Stable} fell from 391 to 182 combined.

Users on a python3.11 profile lose access to the updated versions in
this overlay, mirroring what ::gentoo already did to the rest of the
scientific stack.

Signed-off-by: Raukaan Cogbrother <cogbrother@raukaan.local>

commit 333a849082e704941d018a7f0b99678eda18904f
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Tue Apr 21 01:07:29 2026 +0200

*/*: bump PYTHON_COMPAT to python3_

Match the ::gentoo convention (main tree dropped 3.9 / 3.10 support
a while ago). Three mechanical substitutions:

- python3_ -> python3_ (189 ebuilds)
- python3_ -> python3_ (llvmlite)
- python2_7 python3_ -> python2_7 python3_ (pycifrw)

Leaves the legacy python2_7-only ebuilds and dev-python/cython
(special PYTHON_TESTED pattern on the 0.29 series) untouched.

commit 2e8edf80ff0f23079caa880c8b71164a55ab1190
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Sun Apr 19 16:14:52 2026 +0200

dev-python/gemmi: use virtual/zlib (zlib-ng compat)

commit f23ece73c4451e2377c17d8b90acb53bee608563
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Thu Jan 15 21:28:34 2026 +0100

*/*: UPD header, Happy New Year

Signed-off-by: Ivan S. Titov <iohann.s.titov@gmail.com>

commit bd56ad8c4cfa96514317be4d851cb4fcbd6b8802
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Thu Dec 11 10:40:56 2025 +0100

*/*: adjusting python compat to 3.9 to 3.14

Signed-off-by: Ivan S. Titov <iohann.s.titov@gmail.com>

commit a127f0dbcce8949fe46d8d3e70a086509977ccce
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Wed Dec 10 21:59:03 2025 +0100

dev-python/gemmi: add pypi upstream metadata

Signed-off-by: Ivan S. Titov <iohann.s.titov@gmail.com>

commit 75d55441dbb2e55a7102e44b643e2e17cdfbc05d
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Fri Oct 17 21:58:20 2025 +0200

finally upd year to 2025 :)

commit f075f996edcd56786726b356afd2a1655b620ee7
Author: VasilyLebedev <lebedevv@tcd.ie>
Date: Sun Sep 21 19:04:41 2025 +0100

gemmy pynida

commit b451ac3b81ed540a5ce0bbef96d542cd2a2a0dcd
Author: istitov <istitov@github>
Date: Mon Feb 12 10:45:30 2024 +0100

upd copyright to 2024

commit 0b7fcf9639be3e82b30db7da1cc4785887b54326
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Sat Nov 25 04:52:49 2023 +0300

mass updated PYTHON_COMPAT for python:3

commit 48945780358f03a15149c157357fee6dafea2c53
Author: Ivan S. Titov <istitov@github.com>
Date: Thu Sep 14 23:32:55 2023 +0200

upd: header

commit 4d4a87e817dd1a7ac0942067118a1daedd657fe9
Author: VasilyLebedev <vasily.lebedev@ul.ie>
Date: Mon Nov 7 21:00:47 2022 +0000

gemmi amended

commit 22dc246687fae271b98fd900c70ba79145522d9d
Author: VasilyLebedev <vasily.lebedev@ul.ie>
Date: Mon Nov 7 20:54:06 2022 +0000

Delete gemmi-0.5.2.ebuild

commit 98fe76ad1fdd468ff099f1b72d20b8b0c6ffba7b
Author: VasilyLebedev <vasily.lebedev@ul.ie>
Date: Fri Apr 22 14:50:07 2022 +0100

gemmi amended

commit 60d8a2c3a29da6bdf01defc0f082ac2337ed3ad1
Author: VasilyLebedev <vasily.lebedev@ul.ie>
Date: Sun Jan 30 14:47:20 2022 +0000

dev-python/gemmi added