diff --git a/science/py-qcmanybody/Makefile b/science/py-qcmanybody/Makefile index 8e9ca821b095..ddd9ea0044d0 100644 --- a/science/py-qcmanybody/Makefile +++ b/science/py-qcmanybody/Makefile @@ -1,34 +1,35 @@ PORTNAME= qcmanybody -DISTVERSION= 0.7.1 +DISTVERSION= 0.8.0 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} MAINTAINER= yuri@FreeBSD.org COMMENT= Many-body expansion tools for quantum chemistry -WWW= https://github.com/MolSSI/QCManyBody +WWW= https://molssi.github.io/QCManyBody/dev/ \ + https://github.com/MolSSI/QCManyBody LICENSE= BSD3CLAUSE BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}setuptools>0:devel/py-setuptools@${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= ${PYTHON_PKGNAMEPREFIX}numpy>=1.16:math/py-numpy@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}pydantic2>=1.10.17:devel/py-pydantic2@${PY_FLAVOR} \ - ${PYTHON_PKGNAMEPREFIX}qcelemental>=0.28.0:science/py-qcelemental@${PY_FLAVOR} +RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}numpy>0:math/py-numpy@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}pydantic2>=2.11:devel/py-pydantic2@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}qcelemental>=0.50.4:science/py-qcelemental@${PY_FLAVOR} TEST_DEPENDS= ${PYTHON_PKGNAMEPREFIX}geometric>0:science/py-geometric@${PY_FLAVOR} \ nwchem:science/nwchem \ ${PYTHON_PKGNAMEPREFIX}optking>0:science/py-optking@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}qcengine>0:science/py-qcengine@${PY_FLAVOR} USES= python USE_PYTHON= pep517 autoplist pytest +TEST_ENV= ${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} +TEST_ARGS= --disable-plugin-autoload + NO_ARCH= yes -# tests as of 0.7.1: -# Results (338.17s (0:05:38)): -# 557 passed -# 832 skipped +# tests as of 0.8.0: 560 passed, 830 skipped, 6 warnings in 411.12s (0:06:51) .include diff --git a/science/py-qcmanybody/distinfo b/science/py-qcmanybody/distinfo index 6286a237ebe2..03e3cf0a07d5 100644 --- a/science/py-qcmanybody/distinfo +++ b/science/py-qcmanybody/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1780419952 -SHA256 (qcmanybody-0.7.1.tar.gz) = 58190b223942546555233af2626f043ae8fbdb51b542a914fd7ba6faad63011d -SIZE (qcmanybody-0.7.1.tar.gz) = 984015 +TIMESTAMP = 1790391524 +SHA256 (qcmanybody-0.8.0.tar.gz) = c89414838e920d0560ab0fd76e36b70386ff292bcc041f7799771774141b044f +SIZE (qcmanybody-0.8.0.tar.gz) = 987595