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| author | Yuri Victorovich <yuri@FreeBSD.org> | 2023-08-01 09:42:48 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2023-08-01 09:43:05 +0000 |
| commit | 7a2eb7000ff576b71d6ee69e6142067d505f86f2 (patch) | |
| tree | a62f3e54e8b82c2cf690c99fc6b4232aea831494 | |
| parent | a275c86efd8d9045a96d3b50c9450c9535ff3ab8 (diff) | |
| download | ports-7a2eb7000ff576b71d6ee69e6142067d505f86f2.tar.gz ports-7a2eb7000ff576b71d6ee69e6142067d505f86f2.zip | |
science/py-qcelemental: Update 0.25.1 → 0.26.0
Reported by: portscout
| -rw-r--r-- | science/py-qcelemental/Makefile | 14 | ||||
| -rw-r--r-- | science/py-qcelemental/distinfo | 6 |
2 files changed, 13 insertions, 7 deletions
diff --git a/science/py-qcelemental/Makefile b/science/py-qcelemental/Makefile index 5c58f24a5d87..7406cd9cd4eb 100644 --- a/science/py-qcelemental/Makefile +++ b/science/py-qcelemental/Makefile @@ -1,6 +1,5 @@ PORTNAME= qcelemental -DISTVERSION= 0.25.1 -PORTREVISION= 1 +DISTVERSION= 0.26.0 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} @@ -12,20 +11,27 @@ WWW= https://github.com/MolSSI/QCElemental LICENSE= BSD3CLAUSE LICENSE_FILE= ${WRKSRC}/LICENSE +BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}poetry>0:devel/py-poetry@${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= distutils autoplist +USE_PYTHON= pep517 autoplist + +TEST_ENV= ${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} NO_ARCH= yes -do-test: # 2 tests fail, see https://github.com/MolSSI/QCElemental/issues/293 +do-test: @cd ${WRKSRC} && ${SETENV} ${TEST_ENV} pytest -rs --pyargs qcelemental .include <bsd.port.mk> diff --git a/science/py-qcelemental/distinfo b/science/py-qcelemental/distinfo index 95f8e3bcb13b..4089fc5525a2 100644 --- a/science/py-qcelemental/distinfo +++ b/science/py-qcelemental/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1667872343 -SHA256 (qcelemental-0.25.1.tar.gz) = e3e0e53fe047d14756718441040a5d737135f0bdb33efb1d63a1935b95821a74 -SIZE (qcelemental-0.25.1.tar.gz) = 295260 +TIMESTAMP = 1690879830 +SHA256 (qcelemental-0.26.0.tar.gz) = a14e8510cdbfda645ef1461c1afd02efb599311733dbba5f83fcd1d6168a6ddd +SIZE (qcelemental-0.26.0.tar.gz) = 300447 |