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dev-python/pymatgen

Python Materials Genomics (umbrella shim over pymatgen-core)

Screenshots

  • pymatgen-2026.5.4
    ~amd64
    python_single_target_python3_12 python_single_target_python3_13 python_single_target_python3_14

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    Overlay: stuff
  • pymatgen-2026.3.23
    ~amd64
    python_single_target_python3_12 python_single_target_python3_13 python_single_target_python3_14

    View      Download      Browse     License: MIT   
    Overlay: stuff

ChangeLog

commit 150f97a49eae8753a84333f05a138e2f3ddab97c
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Sun May 10 21:07:51 2026 +0200

dev-python/pymatgen: switch to DISTUTILS_SINGLE_IMPL

dev-python/pymatgen-core is now SINGLE_IMPL; multi-impl shim with bare
$ on it produces python_targets_python3_*(-)? that the
single-impl child can't expose. Convert both versions to single-impl too;
pymatgen-core on bare $.

commit 29bcdaf65fbfb252c531176c513c76aafe98ece0
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Wed May 6 17:53:58 2026 +0200

dev-python/pymatgen: add 2026.5.4

Bumped pymatgen-core RDEPEND floor (2026.3.9 -> 2026.4.16) to match
upstream's tightened pin. Trimmed src_prepare: the phase_diagram,
chempot_diagram, and reaction_calculator .py files are gone in this
sdist (the umbrella shim split is now finalized upstream); only the
'pmg' CLI entry-point still leaks from pyproject.toml.

commit 9490ea39bb63ff94601ea7edd3aec76724427234
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Tue Apr 28 21:33:01 2026 +0200

dev-python/pymatgen: drop files that pymatgen-core now ships

The upstream split moved /usr/bin/pmg (pymatgen.cli.pmg) and three
analysis modules (phase_diagram, chempot_diagram, reaction_calculator)
into pymatgen-core. pymatgen 2026.3.23's sdist was cut before that
split and still includes them, causing portage file collisions
against dev-python/pymatgen-core-2026.3.9+ (the matching split).

Strip the pmg entry from pyproject.toml [project.scripts] and rm the
three .py files in src_prepare so pymatgen-core provides the canonical
copies.

Build-merge verified on python3_13.

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 09794f88433784146cd85d58d3a02505282e6b27
Author: Ivan S. Titov <iohann.s.titov@gmail.com>
Date: Tue Apr 21 17:33:05 2026 +0200

dev-python/pymatgen: new package, add 2026.3.23

Umbrella-package shim that pulls in dev-python/pymatgen-core.
Upstream split the codebase: pymatgen is now just a tiny compatibility
wrapper declaring `pymatgen-core` as its only runtime dep, and the
actual imports under the `pymatgen` namespace are re-exports from
pymatgen-core.

Needed because downstream consumers still `import pymatgen` rather
than `import pymatgen_core`.

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