git: 02e154918eec - main - science/py-qcengine: update 0.50.0 → 0.51.0

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=02e154918eeca3b6035beb7d86ed5cdac567c8c6

commit 02e154918eeca3b6035beb7d86ed5cdac567c8c6
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2026-09-15 01:21:00 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2026-09-15 02:33:08 +0000

    science/py-qcengine: update 0.50.0 → 0.51.0
---
 science/py-qcengine/Makefile                   | 12 ++++++++++--
 science/py-qcengine/distinfo                   |  6 +++---
 science/py-qcengine/files/patch-pyproject.toml |  4 ++--
 3 files changed, 15 insertions(+), 7 deletions(-)

diff --git a/science/py-qcengine/Makefile b/science/py-qcengine/Makefile
index 483b22fa335d..dedebbf8da1d 100644
--- a/science/py-qcengine/Makefile
+++ b/science/py-qcengine/Makefile
@@ -1,5 +1,5 @@
 PORTNAME=	qcengine
-DISTVERSION=	0.50.0
+DISTVERSION=	0.51.0
 CATEGORIES=	science python # chemistry
 MASTER_SITES=	PYPI
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
@@ -11,7 +11,7 @@ WWW=		https://github.com/MolSSI/QCEngine
 LICENSE=	BSD3CLAUSE
 LICENSE_FILE=	${WRKSRC}/LICENSE
 
-BUILD_DEPENDS=	${PYTHON_PKGNAMEPREFIX}setuptools>=61.0:devel/py-setuptools@${PY_FLAVOR} \
+BUILD_DEPENDS=	${PYTHON_PKGNAMEPREFIX}setuptools>=63.1.0:devel/py-setuptools@${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=	${PYTHON_PKGNAMEPREFIX}py-cpuinfo>0:sysutils/py-py-cpuinfo@${PY_FLAVOR} \
@@ -41,6 +41,14 @@ TEST_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pytest>0:devel/py-pytest@${PY_FLAVOR} \
 USES=		python
 USE_PYTHON=	pep517 concurrent autoplist pytest # 1 tests fails, see https://github.com/MolSSI/QCEngine/issues/377#issuecomment-2191948293
 
+TEST_ENV=	${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}
+TEST_ARGS=	--disable-plugin-autoload -m "not addon and not slow" \
+		--ignore=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/qcengine/tests
+
+PYTEST_BROKEN_TESTS=	test_info # upstream issue: GCP version identification fails, see https://github.com/MolSSI/QCEngine/issues/377#issuecomment-2191948293
+
 NO_ARCH=	yes
 
+# tests as of 0.51.0: 100 passed, 3 skipped, 6217 deselected in 2.30s
+
 .include <bsd.port.mk>
diff --git a/science/py-qcengine/distinfo b/science/py-qcengine/distinfo
index 0f580c494c39..644f9eb1a034 100644
--- a/science/py-qcengine/distinfo
+++ b/science/py-qcengine/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1780383484
-SHA256 (qcengine-0.50.0.tar.gz) = c76d7c4aae103a8a93a5c48cf53cd0c9d8489fd2ed85f942b8d87f3f4b2d6665
-SIZE (qcengine-0.50.0.tar.gz) = 382578
+TIMESTAMP = 1789395240
+SHA256 (qcengine-0.51.0.tar.gz) = 23a122d132329585a8add8cd023d305c0c4c1f5032bf8a7ab22273e05d7c4c0d
+SIZE (qcengine-0.51.0.tar.gz) = 394272
diff --git a/science/py-qcengine/files/patch-pyproject.toml b/science/py-qcengine/files/patch-pyproject.toml
index 11eb6f31e385..2706a7a32097 100644
--- a/science/py-qcengine/files/patch-pyproject.toml
+++ b/science/py-qcengine/files/patch-pyproject.toml
@@ -2,12 +2,12 @@
 -- Older setuptools (like 63.1.0 in FreeBSD) do not support license-files in [project]
 -- and we don't have setuptools 77.0 yet.
 
---- pyproject.toml.orig	2026-05-25 06:16:56 UTC
+--- pyproject.toml.orig	2026-09-14 15:29:21 UTC
 +++ pyproject.toml
 @@ -1,5 +1,5 @@
  [build-system]
 -requires = ["setuptools>=77.0", "setuptools-scm>=8.0"]
-+requires = ["setuptools>=61.0", "setuptools-scm>=8.0"]
++requires = ["setuptools>=63.1.0", "setuptools-scm>=8.0"]
  build-backend = "setuptools.build_meta"
  
  [project.urls]