diff --git a/science/py-qcmanybody/Makefile b/science/py-qcmanybody/Makefile index 18fc1f518559..8e9ca821b095 100644 --- a/science/py-qcmanybody/Makefile +++ b/science/py-qcmanybody/Makefile @@ -1,28 +1,34 @@ PORTNAME= qcmanybody -DISTVERSION= 0.5.1 -PORTREVISION= 1 +DISTVERSION= 0.7.1 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 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} +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 NO_ARCH= yes -# tests as of 0.5.1: 235 passed, 294 skipped, 3 warnings in 94.49s (0:01:34) +# tests as of 0.7.1: +# Results (338.17s (0:05:38)): +# 557 passed +# 832 skipped .include diff --git a/science/py-qcmanybody/distinfo b/science/py-qcmanybody/distinfo index 6f0b986b5280..6286a237ebe2 100644 --- a/science/py-qcmanybody/distinfo +++ b/science/py-qcmanybody/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1776737966 -SHA256 (qcmanybody-0.5.1.tar.gz) = 597b548f5267cdb584b7ce02a01b5ba26d40c1d8e3f6c62b2b01e4948d253ca0 -SIZE (qcmanybody-0.5.1.tar.gz) = 975601 +TIMESTAMP = 1780419952 +SHA256 (qcmanybody-0.7.1.tar.gz) = 58190b223942546555233af2626f043ae8fbdb51b542a914fd7ba6faad63011d +SIZE (qcmanybody-0.7.1.tar.gz) = 984015