diff --git a/science/py-qcelemental/Makefile b/science/py-qcelemental/Makefile index 8ceb17b12e35..d69e52613e4a 100644 --- a/science/py-qcelemental/Makefile +++ b/science/py-qcelemental/Makefile @@ -1,41 +1,43 @@ PORTNAME= qcelemental -DISTVERSION= 0.50.4 +DISTVERSION= 0.51.1 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= ${PYTHON_PKGNAMEPREFIX}setuptools>=61.0:devel/py-setuptools@${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= ${PYTHON_PKGNAMEPREFIX}ipykernel>0:devel/py-ipykernel@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}jsonschema>0:devel/py-jsonschema@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}networkx>0:math/py-networkx@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}nglview>=3.0.3:science/py-nglview@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}numpy>=2.3.3:math/py-numpy@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}pint>=0.24:devel/py-pint@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}pydantic2>=2.11:devel/py-pydantic2@${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} +TEST_ARGS= --disable-plugin-autoload NO_ARCH= yes do-test: @cd ${WRKSRC} && ${SETENV} ${TEST_ENV} pytest -rs --pyargs qcelemental -# tests as of 0.50.4: 2008 passed, 270 skipped, 2 xpassed, 2 warnings in 12.82s +# tests as of 0.51.1: 6430 passed 276 skipped 2 xpassed 2 warnings .include diff --git a/science/py-qcelemental/distinfo b/science/py-qcelemental/distinfo index 39d04fc74136..94f0aed59fde 100644 --- a/science/py-qcelemental/distinfo +++ b/science/py-qcelemental/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1784748636 -SHA256 (qcelemental-0.50.4.tar.gz) = 8d53826d33ff157caa2f5c896c19311cf3c9daf719cab8c6f86060f95d5f744b -SIZE (qcelemental-0.50.4.tar.gz) = 9076469 +TIMESTAMP = 1789239035 +SHA256 (qcelemental-0.51.1.tar.gz) = d92eec6b5e2b29df1bfb20f2d9e2299354d412503a5dea5e4cfbb3596e92e135 +SIZE (qcelemental-0.51.1.tar.gz) = 9082189