diff --git a/science/py-qcelemental/Makefile b/science/py-qcelemental/Makefile index 75bb1f95c366..e04601abc848 100644 --- a/science/py-qcelemental/Makefile +++ b/science/py-qcelemental/Makefile @@ -1,30 +1,30 @@ PORTNAME= qcelemental -DISTVERSION= 0.25.0 +DISTVERSION= 0.25.1 CATEGORIES= science python MASTER_SITES= CHEESESHOP PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} MAINTAINER= yuri@FreeBSD.org COMMENT= Essentials for quantum chemistry WWW= https://github.com/MolSSI/QCElemental LICENSE= BSD3CLAUSE LICENSE_FILE= ${WRKSRC}/LICENSE 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} 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:3.8+ USE_PYTHON= distutils autoplist NO_ARCH= yes do-test: # 2 tests fail, see https://github.com/MolSSI/QCElemental/issues/293 @cd ${WRKSRC} && ${SETENV} ${TEST_ENV} pytest -rs --pyargs qcelemental .include diff --git a/science/py-qcelemental/distinfo b/science/py-qcelemental/distinfo index b86cb1b3ae4d..95f8e3bcb13b 100644 --- a/science/py-qcelemental/distinfo +++ b/science/py-qcelemental/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1655324349 -SHA256 (qcelemental-0.25.0.tar.gz) = bf5caeeb2044b6056c85e92effc61a21a5ebb1580ccdc165580bb248f8588324 -SIZE (qcelemental-0.25.0.tar.gz) = 295303 +TIMESTAMP = 1667872343 +SHA256 (qcelemental-0.25.1.tar.gz) = e3e0e53fe047d14756718441040a5d737135f0bdb33efb1d63a1935b95821a74 +SIZE (qcelemental-0.25.1.tar.gz) = 295260