summaryrefslogtreecommitdiff
path: root/science/py-qcelemental/Makefile
diff options
context:
space:
mode:
Diffstat (limited to 'science/py-qcelemental/Makefile')
-rw-r--r--science/py-qcelemental/Makefile15
1 files changed, 9 insertions, 6 deletions
diff --git a/science/py-qcelemental/Makefile b/science/py-qcelemental/Makefile
index b1a5efde166b..059ced2ffca3 100644
--- a/science/py-qcelemental/Makefile
+++ b/science/py-qcelemental/Makefile
@@ -1,6 +1,5 @@
PORTNAME= qcelemental
-DISTVERSION= 0.28.0
-PORTREVISION= 1
+DISTVERSION= 0.29.0
CATEGORIES= science python
MASTER_SITES= PYPI
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
@@ -13,12 +12,14 @@ LICENSE= BSD3CLAUSE
LICENSE_FILE= ${WRKSRC}/LICENSE
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} \
- ${PYTHON_PKGNAMEPREFIX}pydantic2>=1.8.2:devel/py-pydantic2@${PY_FLAVOR}
-RUN_DEPENDS+= ${PYTHON_PKGNAMEPREFIX}ipykernel>0:devel/py-ipykernel@${PY_FLAVOR} \
+RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}importlib-metadata>=4.8:devel/py-importlib-metadata@${PY_FLAVOR} \
+ ${PYTHON_PKGNAMEPREFIX}ipykernel>0:devel/py-ipykernel@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}networkx>0:math/py-networkx@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}nglview>=3.0.3:science/py-nglview@${PY_FLAVOR} \
+ ${PYNUMPY} \
+ ${PYTHON_PKGNAMEPREFIX}packaging>=24.1:devel/py-packaging@${PY_FLAVOR} \
+ ${PYTHON_PKGNAMEPREFIX}pint>=0.10.0:devel/py-pint@${PY_FLAVOR} \
+ ${PYTHON_PKGNAMEPREFIX}pydantic2>=1.8.2:devel/py-pydantic2@${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} \
@@ -35,4 +36,6 @@ NO_ARCH= yes
do-test:
@cd ${WRKSRC} && ${SETENV} ${TEST_ENV} pytest -rs --pyargs qcelemental
+# tests as of 0.29.0: 1 failed, 1191 passed, 2 skipped, 2 xpassed, 1 warning in 12.71s, see https://github.com/MolSSI/QCElemental/issues/380
+
.include <bsd.port.mk>