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dev-python/pymatgen-core

Core pieces of the Python Materials Genomics library (pymatgen)

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  • pymatgen-core-2026.4.16
    ~amd64
    python_single_target_python3_12 python_single_target_python3_13 python_single_target_python3_14

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ChangeLog

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>