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dev-python/pymatgen-core

Core pieces of the Python Materials Genomics library (pymatgen)

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  • pymatgen-core-2026.7.31
    ~amd64
    python_single_target_python3_12 python_single_target_python3_13 python_single_target_python3_14

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    Overlay: stuff
  • pymatgen-core-2026.7.27
    ~amd64
    python_single_target_python3_12 python_single_target_python3_13 python_single_target_python3_14

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ChangeLog

commit efd8298efb4670d4958ffbd9edf2006a3099f6b0
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Fri Jul 31 10:07:29 2026 +0200

dev-python/pymatgen-core: drop 2026.7.16

Superseded; retention keeps the last two releases (2026.7.27, 2026.7.31).

commit 5fd7d5c96a452b4c7096535bc616fe954eaefdcb
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Fri Jul 31 10:07:24 2026 +0200

dev-python/pymatgen-core: add 2026.7.31

Runtime dependencies match the existing RDEPEND (upstream requires_dist
unchanged in substance), so the ebuild is copied verbatim.

commit d7c075471b9af679331682b09d2505865d7eb4fa
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Mon Jul 27 11:04:01 2026 +0200

dev-python/pymatgen-core: add 2026.7.27, drop 2026.5.18

Bumped to 2026.7.27 rather than the 2026.7.24 that drift reporting
points at. 2026.7.24 is a partial upload: it carries 2 files on PyPI
where 2026.4.7, 2026.5.17, 2026.5.18, 2026.7.16 and 2026.7.27 each
carry 21. Bumping to it would have pinned a release that is missing
most of its artifacts.

requires_dist for 2026.7.27 matches what the ebuild already declares,
including monty >= 2026.7.16, which is the floor that moves with each
release and the only thing that changed at the previous bump.

Two deliberate deviations left alone: the plotly floor here is >=6.0
against upstream's >=5.0, so ours is the stricter of the two; and
upstream splits the numpy floor by python version, >=1.25.0 below 3.13
and >=2.1.0 from 3.13, which the flat >=1.25 cannot express and does
not need to, since the oldest numpy in ::gentoo is 2.2.6.

2026.5.18 drops under the last-two rule. Both pymatgen shim ebuilds
depend on this package with an open >= bound and were re-checked to
still resolve afterwards.

commit e6e5ab360e371a5c1aad3c8f7d83b6de2c02a48e
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Thu Jul 16 10:22:27 2026 +0200

dev-python/pymatgen-core: drop 2026.4.16

commit af7fdc7f2c16a670006d8437c8c01a3f819a62d0
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Thu Jul 16 10:22:26 2026 +0200

dev-python/pymatgen-core: add 2026.7.16

commit 35fcb15bfaeaea0a1a4e92a29ac2129c6cb0fc9d
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Sun Jun 14 12:52:04 2026 +0200

dev-python/pymatgen-core: fix spglib dep for multi-impl spglib

::gentoo's sci-libs/spglib dropped DISTUTILS_SINGLE_IMPL at 2.7.0, so it
now exposes python_targets_* flags instead of python_single_target_*.
pymatgen-core's spglib dep still used the PYTHON_SINGLE_USEDEP form,
which no longer matches 2.7.0 and pinned the old single-impl 2.6.0-r1 --
a slot conflict against any consumer pulling 2.7.0 (e.g. pyTEMlib). Move
it into python_gen_cond_dep with PYTHON_USEDEP, the correct form for a
single-impl package depending on a multi-impl one.

commit 1350c04be41ba3e57b5f3ef4fbae8f3c453777d3
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Sat Jun 6 20:18:21 2026 +0200

dev-python/pymatgen-core: drop 2026.5.17

commit 2d687c217cbdb03291003a66ec0b0a35290bc165
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Tue May 19 19:32:55 2026 +0200

dev-python/pymatgen-core: add 2026.5.18

Bump monty lower bound to >=2026.5.18 (upstream now requires it).
DeprecatedDep on orjson pre-existing across all pymatgen-core versions.

commit f590f3a7972dcb3e70f057c9a37d83e4053f2c73
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Sun May 17 21:35:05 2026 +0200

dev-python/pymatgen-core: add 2026.5.17

Bump lxml lower bound >=4.9 → >=6.1.0 per upstream requirement.

commit 6bc8fe7d17d29b39aeee58025422ce705e4e8ace
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Sun May 10 20:38:38 2026 +0200

dev-python/pymatgen-core: switch to DISTUTILS_SINGLE_IMPL

sci-libs/spglib (with USE=python) is python-single-r1; multi-impl
consumer with bare $ produces python_targets_python3_*(-)?
that the single-impl child can't expose. Convert to single-impl; spglib
on bare $, remainder wrapped in python_gen_cond_dep.

--scan=n: pre-existing orjson DeprecatedDep is policy (see
project_orjson_dep_accepted.md).

commit 92cc8000c8e38dbf069b68ca217af0873dcad1e4
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Wed Apr 22 22:31:20 2026 +0200

*/*: normalize personal-maintainer metadata.xml

Unify the three styles that had accumulated across the overlay
(pf-sources-style tab+email-only, bidict-style 2-space+name,
plus a handful of one-off indents) onto a single canonical form:

- DTD URL on https
- 2-space indentation
- <maintainer type="person"> with both <email> and
<name>Ivan S. Titov</name>

Only the Titov maintainer block is touched; co-maintainers and
::gentoo proxy-project maintainers in forked packages are left
as-is. 66 files changed; pkgcheck scan identical before and
after.

commit f49e7dd54547299ada046a258ee4d05fb66496dc
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Wed Apr 22 12:20:21 2026 +0200

dev-python/pymatgen-core: document accepted orjson DeprecatedDep

Same rationale as the mp-api commit: add an XML comment to
metadata.xml explaining why the dev-python/orjson DeprecatedDep
warning is accepted:

- Upstream pymatgen-core hard-requires orjson in requires_dist
(>=3.10,<4) and uses it pervasively; it is not a drop-in for
stdlib json.
- ::gentoo soft-deprecated orjson on 2026-04-01 but it is
still installable.

Makes the "known and accepted" status discoverable from the
package itself.

commit c1698a8409ba3a5ec10bd78507680f209f5deb26
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Tue Apr 21 17:32:00 2026 +0200

dev-python/pymatgen-core: new package, add 2026.4.16

Core half of the Python Materials Genomics library split. Never in
::gentoo. Needed as mandatory dep of dev-python/pymatgen (the umbrella
package) and transitively by dev-python/larixite (xraylarch's new
mandatory dep).

Builds two Cython extensions (neighbors.pyx, coord_cython.pyx), so
add cython to BDEPEND. KEYWORDS narrowed to ~amd64 because
dev-python/plotly is amd64-only in ::gentoo. The DeprecatedDep
warning on dev-python/orjson is load-bearing and cannot be avoided:
upstream hard-requires orjson.

Sdist keeps the underscore form (pymatgen_core-*.tar.gz); handle
via MY_PN + pypi_sdist_url --no-normalize.

RESTRICT=test because the test suite expects a large external
test-data tree.

Tested: `ebuild ... clean compile install` is clean.
Signed-off-by: Raukaan Cogbrother <cogbrother@raukaan.local>