git: 7a2eb7000ff5 - main - science/py-qcelemental: Update 0.25.1 → 0.26.0

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=7a2eb7000ff576b71d6ee69e6142067d505f86f2

commit 7a2eb7000ff576b71d6ee69e6142067d505f86f2
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2023-08-01 09:42:48 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2023-08-01 09:43:05 +0000

    science/py-qcelemental: Update 0.25.1 → 0.26.0
    
    Reported by:    portscout
---
 science/py-qcelemental/Makefile | 14 ++++++++++----
 science/py-qcelemental/distinfo |  6 +++---
 2 files changed, 13 insertions(+), 7 deletions(-)

diff --git a/science/py-qcelemental/Makefile b/science/py-qcelemental/Makefile
index 5c58f24a5d87..7406cd9cd4eb 100644
--- a/science/py-qcelemental/Makefile
+++ b/science/py-qcelemental/Makefile
@@ -1,6 +1,5 @@
 PORTNAME=	qcelemental
-DISTVERSION=	0.25.1
-PORTREVISION=	1
+DISTVERSION=	0.26.0
 CATEGORIES=	science python
 MASTER_SITES=	PYPI
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
@@ -12,20 +11,27 @@ WWW=		https://github.com/MolSSI/QCElemental
 LICENSE=	BSD3CLAUSE
 LICENSE_FILE=	${WRKSRC}/LICENSE
 
+BUILD_DEPENDS=	${PYTHON_PKGNAMEPREFIX}poetry>0:devel/py-poetry@${PY_FLAVOR}
 RUN_DEPENDS=	${PYNUMPY} \
 		${PYTHON_PKGNAMEPREFIX}pint>=0.10.0:devel/py-pint@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}pydantic>=1.8.2:devel/py-pydantic@${PY_FLAVOR}
+RUN_DEPENDS+=	${PYTHON_PKGNAMEPREFIX}ipykernel>0:devel/py-ipykernel@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}networkx>0:math/py-networkx@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}nglview>=3.0.3:science/py-nglview@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}scipy>=1.9.0:science/py-scipy@${PY_FLAVOR}
 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}
 
 USES=		python
-USE_PYTHON=	distutils autoplist
+USE_PYTHON=	pep517 autoplist
+
+TEST_ENV=	${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}
 
 NO_ARCH=	yes
 
-do-test: # 2 tests fail, see https://github.com/MolSSI/QCElemental/issues/293
+do-test:
 	@cd ${WRKSRC} && ${SETENV} ${TEST_ENV} pytest -rs --pyargs qcelemental
 
 .include <bsd.port.mk>
diff --git a/science/py-qcelemental/distinfo b/science/py-qcelemental/distinfo
index 95f8e3bcb13b..4089fc5525a2 100644
--- a/science/py-qcelemental/distinfo
+++ b/science/py-qcelemental/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1667872343
-SHA256 (qcelemental-0.25.1.tar.gz) = e3e0e53fe047d14756718441040a5d737135f0bdb33efb1d63a1935b95821a74
-SIZE (qcelemental-0.25.1.tar.gz) = 295260
+TIMESTAMP = 1690879830
+SHA256 (qcelemental-0.26.0.tar.gz) = a14e8510cdbfda645ef1461c1afd02efb599311733dbba5f83fcd1d6168a6ddd
+SIZE (qcelemental-0.26.0.tar.gz) = 300447