git: 5edb7aef933d - main - science/py-qcelemental: update 0.51.1 → 0.51.2

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=5edb7aef933d78d77267ec82cf818691a450b104

commit 5edb7aef933d78d77267ec82cf818691a450b104
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2026-10-11 19:21:03 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2026-10-11 20:38:11 +0000

    science/py-qcelemental: update 0.51.1 → 0.51.2
---
 science/py-qcelemental/Makefile | 29 +++++++++++++++++++----------
 science/py-qcelemental/distinfo |  6 +++---
 2 files changed, 22 insertions(+), 13 deletions(-)

diff --git a/science/py-qcelemental/Makefile b/science/py-qcelemental/Makefile
index d69e52613e4a..da4b3d9b08b5 100644
--- a/science/py-qcelemental/Makefile
+++ b/science/py-qcelemental/Makefile
@@ -1,5 +1,5 @@
 PORTNAME=	qcelemental
-DISTVERSION=	0.51.1
+DISTVERSION=	0.51.2
 CATEGORIES=	science python
 MASTER_SITES=	PYPI
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
@@ -14,18 +14,22 @@ LICENSE_FILE=	${WRKSRC}/LICENSE
 BUILD_DEPENDS=	${PYTHON_PKGNAMEPREFIX}setuptools>=61.0:devel/py-setuptools@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}setuptools-scm>=8.0:devel/py-setuptools-scm@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}wheel>0:devel/py-wheel@${PY_FLAVOR}
-RUN_DEPENDS=	${PYTHON_PKGNAMEPREFIX}ipykernel>0:devel/py-ipykernel@${PY_FLAVOR} \
-		${PYTHON_PKGNAMEPREFIX}jsonschema>0:devel/py-jsonschema@${PY_FLAVOR} \
-		${PYTHON_PKGNAMEPREFIX}networkx>0:math/py-networkx@${PY_FLAVOR} \
-		${PYTHON_PKGNAMEPREFIX}nglview>=3.0.3:science/py-nglview@${PY_FLAVOR} \
-		${PYTHON_PKGNAMEPREFIX}numpy>=2.3.3:math/py-numpy@${PY_FLAVOR} \
+RUN_DEPENDS=	${PYTHON_PKGNAMEPREFIX}numpy>=2.3.3:math/py-numpy@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}pint>=0.24:devel/py-pint@${PY_FLAVOR} \
-		${PYTHON_PKGNAMEPREFIX}pydantic2>=2.11:devel/py-pydantic2@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}pydantic2>=2.11:devel/py-pydantic2@${PY_FLAVOR}
+ALIGN_DEPENDS=	${PYTHON_PKGNAMEPREFIX}networkx>0:math/py-networkx@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}scipy>=1.9.0:science/py-scipy@${PY_FLAVOR}
+STANDARD_DEPENDS=	\
+		${PYTHON_PKGNAMEPREFIX}jsonschema>0:devel/py-jsonschema@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}msgpack>0:devel/py-msgpack@${PY_FLAVOR}
+VIZ_DEPENDS=	${PYTHON_PKGNAMEPREFIX}ipykernel>0:devel/py-ipykernel@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}nglview>=3.0.3:science/py-nglview@${PY_FLAVOR}
+RUN_DEPENDS+=	${ALIGN_DEPENDS} \
+		${STANDARD_DEPENDS} \
+		${VIZ_DEPENDS}
 TEST_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pytest>=4.0.0:devel/py-pytest@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}pytest-cov>0:devel/py-pytest-cov@${PY_FLAVOR} \
-		${PYTHON_PKGNAMEPREFIX}py3Dmol>0:science/py-py3Dmol@${PY_FLAVOR} \
-		${PYTHON_PKGNAMEPREFIX}msgpack>0:devel/py-msgpack@${PY_FLAVOR}
+		${PYTHON_PKGNAMEPREFIX}py3Dmol>0:science/py-py3Dmol@${PY_FLAVOR}
 
 USES=		python
 USE_PYTHON=	pep517 autoplist
@@ -38,6 +42,11 @@ NO_ARCH=	yes
 do-test:
 	@cd ${WRKSRC} && ${SETENV} ${TEST_ENV} pytest -rs --pyargs qcelemental
 
-# tests as of 0.51.1: 6430 passed 276 skipped 2 xpassed 2 warnings
+# tests as of 0.51.2:
+# Results (44.04s):
+#       6772 passed
+#        132 skipped
+#          2 xpassed
+#         18 warnings
 
 .include <bsd.port.mk>
diff --git a/science/py-qcelemental/distinfo b/science/py-qcelemental/distinfo
index 94f0aed59fde..36ba20eb2622 100644
--- a/science/py-qcelemental/distinfo
+++ b/science/py-qcelemental/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1789239035
-SHA256 (qcelemental-0.51.1.tar.gz) = d92eec6b5e2b29df1bfb20f2d9e2299354d412503a5dea5e4cfbb3596e92e135
-SIZE (qcelemental-0.51.1.tar.gz) = 9082189
+TIMESTAMP = 1791739708
+SHA256 (qcelemental-0.51.2.tar.gz) = 8558f304df08ce400958e6ae6d632e43ef61ccca463c9e8df4f265b4a6195e79
+SIZE (qcelemental-0.51.2.tar.gz) = 9082226