git: f5aa2ae805c7 - main - science/py-emmet-core: update 0.64.0 → 0.87.1

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=f5aa2ae805c7448564744be250251f33574e4aae

commit f5aa2ae805c7448564744be250251f33574e4aae
Author:     Yuri Victorovich <[email protected]>
AuthorDate: 2026-08-01 06:00:29 +0000
Commit:     Yuri Victorovich <[email protected]>
CommitDate: 2026-08-01 06:50:07 +0000

    science/py-emmet-core: update 0.64.0 → 0.87.1
---
 science/py-emmet-core/Makefile                   | 30 +++++++++++++++++-------
 science/py-emmet-core/distinfo                   |  6 ++---
 science/py-emmet-core/files/patch-pyproject.toml | 21 +++++++++++++++++
 3 files changed, 45 insertions(+), 12 deletions(-)

diff --git a/science/py-emmet-core/Makefile b/science/py-emmet-core/Makefile
index 6ae7bcd00050..55807771e8cf 100644
--- a/science/py-emmet-core/Makefile
+++ b/science/py-emmet-core/Makefile
@@ -1,9 +1,9 @@
 PORTNAME=	emmet-core
-DISTVERSION=	0.64.0
-PORTREVISION=	1
+DISTVERSION=	0.87.1
 CATEGORIES=	science python
 MASTER_SITES=	PYPI
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
+DISTNAME=	emmet_core-${DISTVERSION}
 
 MAINTAINER=	[email protected]
 COMMENT=	Materials API Toolkit for the Materials Project
@@ -11,17 +11,29 @@ WWW=		https://github.com/materialsproject/emmet
 
 LICENSE=	BSD3CLAUSE
 
-BUILD_DEPENDS=	${PYTHON_PKGNAMEPREFIX}setuptools_scm7>0:devel/py-setuptools_scm7@${PY_FLAVOR}
-RUN_DEPENDS=	${PYTHON_PKGNAMEPREFIX}monty>=2021.3:devel/py-monty@${PY_FLAVOR} \
+BUILD_DEPENDS=	${PYTHON_PKGNAMEPREFIX}setuptools>=63.1.0:devel/py-setuptools@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}setuptools-scm>=8:devel/py-setuptools-scm@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}wheel>0:devel/py-wheel@${PY_FLAVOR}
+RUN_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pubchempy>0:science/py-pubchempy@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}blake3>0:security/py-blake3@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}inflect>=7.5.0:devel/py-inflect@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}monty>=2024.2.2:devel/py-monty@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}pydantic-settings>=2.0:devel/py-pydantic-settings@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}pydantic2>=2.12:devel/py-pydantic2@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}pybtex>=0.24:textproc/py-pybtex@${PY_FLAVOR} \
-		${PYTHON_PKGNAMEPREFIX}pydantic2>=1.10.2:devel/py-pydantic2@${PY_FLAVOR} \
-		${PYTHON_PKGNAMEPREFIX}spglib>=2.0.1:science/py-spglib@${PY_FLAVOR} \
-		${PYTHON_PKGNAMEPREFIX}typing-extensions>=3.7<5.0:devel/py-typing-extensions@${PY_FLAVOR}
-#RUN_DEPENDS+=	${PYTHON_PKGNAMEPREFIX}pymatgen>=2023.5.8:science/py-pymatgen@${PY_FLAVOR} # break dependency circle: pymatgen -> mp-api -> emmet-core, see https://github.com/materialsproject/api/issues/825
+		${PYTHON_PKGNAMEPREFIX}pymatgen>=2024.6.10:science/py-pymatgen@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}pymatgen-io-validation>=0.1.1:science/py-pymatgen-io-validation@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}typing-extensions>=3.7:devel/py-typing-extensions@${PY_FLAVOR}
+
+TEST_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pytest-cov>0:devel/py-pytest-cov@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}pytest-xdist>0:devel/py-pytest-xdist@${PY_FLAVOR}
 
 USES=		python
-USE_PYTHON=	distutils autoplist pytest
+USE_PYTHON=	pep517 autoplist
 
 NO_ARCH=	yes
 
+# tests as of 0.87.1: not enabled because the sdist is missing the upstream
+# test_files/ fixture directory used by the majority of the test suite.
+
 .include <bsd.port.mk>
diff --git a/science/py-emmet-core/distinfo b/science/py-emmet-core/distinfo
index c032995b7737..2d87a6b3ab97 100644
--- a/science/py-emmet-core/distinfo
+++ b/science/py-emmet-core/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1691555480
-SHA256 (emmet-core-0.64.0.tar.gz) = 922343f079858e1d96b426045772b394158158e52821e7cb08f498f7e06eac2a
-SIZE (emmet-core-0.64.0.tar.gz) = 149809
+TIMESTAMP = 1785522025
+SHA256 (emmet_core-0.87.1.tar.gz) = 525c4ac1be6d5a51d2841df36328b768a34af18959a98b3a8f2a8c2fb80e96eb
+SIZE (emmet_core-0.87.1.tar.gz) = 3960570
diff --git a/science/py-emmet-core/files/patch-pyproject.toml b/science/py-emmet-core/files/patch-pyproject.toml
new file mode 100644
index 000000000000..258e85f95519
--- /dev/null
+++ b/science/py-emmet-core/files/patch-pyproject.toml
@@ -0,0 +1,21 @@
+-- Fix invalid PEP 621 license declaration and lower the setuptools
+-- build-system requirement to the version available in the FreeBSD ports tree.
+-- Upstream uses license = "BSD-3-Clause-LBNL" which newer setuptools rejects.
+--- pyproject.toml.orig
++++ pyproject.toml
+@@ -1,5 +1,5 @@
+ [build-system]
+-requires = ["setuptools>=80.0.0","setuptools-scm>=8"]
++requires = ["setuptools>=63.1.0","setuptools-scm>=8"]
+ build-backend = "setuptools.build_meta"
+
+ [tool.setuptools_scm]
+@@ -25,7 +25,7 @@
+ dynamic = ["version"]
+ requires-python = ">=3.11"
+ description="Core Emmet Library"
+-license = "BSD-3-Clause-LBNL"
++license = {text = "BSD-3-Clause-LBNL"}
+ authors = [
+     {name = "The Materials Project", email="[email protected]"},
+ ]