diff --git a/science/py-qcelemental/Makefile b/science/py-qcelemental/Makefile index d8c008c55cdc..e6ca0bab4d7f 100644 --- a/science/py-qcelemental/Makefile +++ b/science/py-qcelemental/Makefile @@ -1,37 +1,37 @@ PORTNAME= qcelemental -DISTVERSION= 0.26.0 +DISTVERSION= 0.27.0 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} MAINTAINER= yuri@FreeBSD.org COMMENT= Essentials for quantum chemistry WWW= https://github.com/MolSSI/QCElemental LICENSE= BSD3CLAUSE LICENSE_FILE= ${WRKSRC}/LICENSE -BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}poetry-core>=0:devel/py-poetry-core@${PY_FLAVOR} +BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}poetry-core>0:devel/py-poetry-core@${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= pep517 autoplist TEST_ENV= ${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} NO_ARCH= yes do-test: @cd ${WRKSRC} && ${SETENV} ${TEST_ENV} pytest -rs --pyargs qcelemental .include diff --git a/science/py-qcelemental/distinfo b/science/py-qcelemental/distinfo index 4089fc5525a2..59d34edcfd76 100644 --- a/science/py-qcelemental/distinfo +++ b/science/py-qcelemental/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1690879830 -SHA256 (qcelemental-0.26.0.tar.gz) = a14e8510cdbfda645ef1461c1afd02efb599311733dbba5f83fcd1d6168a6ddd -SIZE (qcelemental-0.26.0.tar.gz) = 300447 +TIMESTAMP = 1698265408 +SHA256 (qcelemental-0.27.0.tar.gz) = e552cd183e2094020682db7eabc62fc32010bc953d99fc93a6783056bea03988 +SIZE (qcelemental-0.27.0.tar.gz) = 301177