git: b2cd6daf4a08 - main - science/py-qcengine: Update 0.25.0 -> 0.26.0

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=b2cd6daf4a081a09d5f46d0d1c9f1eacbbccce3e

commit b2cd6daf4a081a09d5f46d0d1c9f1eacbbccce3e
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2022-12-08 07:03:45 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2022-12-08 11:11:23 +0000

    science/py-qcengine: Update 0.25.0 -> 0.26.0
    
    Also add test dependencies, without which it was skipping some testcases.
---
 science/py-qcengine/Makefile | 8 ++++++--
 science/py-qcengine/distinfo | 6 +++---
 2 files changed, 9 insertions(+), 5 deletions(-)

diff --git a/science/py-qcengine/Makefile b/science/py-qcengine/Makefile
index fa9907a6c934..3698c5e63553 100644
--- a/science/py-qcengine/Makefile
+++ b/science/py-qcengine/Makefile
@@ -1,5 +1,5 @@
 PORTNAME=	qcengine
-DISTVERSION=	0.25.0
+DISTVERSION=	0.26.0
 CATEGORIES=	science python # chemistry
 MASTER_SITES=	CHEESESHOP
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
@@ -17,17 +17,21 @@ RUN_DEPENDS=	${PYTHON_PKGNAMEPREFIX}py-cpuinfo>0:sysutils/py-py-cpuinfo@${PY_FLA
 		${PYTHON_PKGNAMEPREFIX}qcelemental>=0.24.0:science/py-qcelemental@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}yaml>0:devel/py-yaml@${PY_FLAVOR}
 TEST_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pytest>0:devel/py-pytest@${PY_FLAVOR} \
+		dftd4:science/dftd4 \
 		mopac:science/mopac \
+		mp2d:science/mp2d \
 		mrchem:science/py-mrchem@${PY_FLAVOR} \
 		nwchem:science/nwchem \
 		rdkit>0:science/rdkit \
+		s-dftd3:science/simple-dftd3 \
 		xtb:science/xtb \
+		${PYTHON_PKGNAMEPREFIX}msgpack>0:devel/py-msgpack@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}pyberny>0:science/py-pyberny@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}geometric>0:science/py-geometric@${PY_FLAVOR}
 		# last dependencies above are for specific quantum chemistry packages to test with TODO torchani,openmm,psi4,torsiondrive,mdi
 
 USES=		python:3.8+
-USE_PYTHON=	distutils concurrent autoplist pytest # 1 test fails, see https://github.com/MolSSI/QCEngine/issues/377
+USE_PYTHON=	distutils concurrent autoplist pytest # 1 test fails, see https://github.com/MolSSI/QCEngine/issues/377, psi4 test hangs, see https://github.com/MolSSI/QCEngine/issues/390
 
 NO_ARCH=	yes
 
diff --git a/science/py-qcengine/distinfo b/science/py-qcengine/distinfo
index c45bf9034e72..f8301bab2538 100644
--- a/science/py-qcengine/distinfo
+++ b/science/py-qcengine/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1668389932
-SHA256 (qcengine-0.25.0.tar.gz) = 55c0d578a0751427fd38287fef75d88eb87cc5b2134faed5ae9cead235c03452
-SIZE (qcengine-0.25.0.tar.gz) = 299697
+TIMESTAMP = 1670412295
+SHA256 (qcengine-0.26.0.tar.gz) = 8c10377b11ffab311a2997ae9af80a0f4b4a9c3a6d65d96fd4aca4c941ecf018
+SIZE (qcengine-0.26.0.tar.gz) = 301317