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| author | Yuri Victorovich <yuri@FreeBSD.org> | 2022-09-30 06:06:33 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2022-09-30 06:19:06 +0000 |
| commit | 7113ea0ce5251706f3c03d5ad8063c2422f5828f (patch) | |
| tree | ab21ac2efeaa2f8aad7b061ede5fae3b1e2bc59d | |
| parent | 28467e92b1680ae7a243be42e2a51bcec781a37c (diff) | |
| download | ports-7113ea0ce5251706f3c03d5ad8063c2422f5828f.tar.gz ports-7113ea0ce5251706f3c03d5ad8063c2422f5828f.zip | |
science/py-qcengine: Update 0.23.0 -> 0.24.1
Reported by: portscout
| -rw-r--r-- | science/py-qcengine/Makefile | 7 | ||||
| -rw-r--r-- | science/py-qcengine/distinfo | 6 |
2 files changed, 5 insertions, 8 deletions
diff --git a/science/py-qcengine/Makefile b/science/py-qcengine/Makefile index ca8ce40492f2..285572abb428 100644 --- a/science/py-qcengine/Makefile +++ b/science/py-qcengine/Makefile @@ -1,5 +1,5 @@ PORTNAME= qcengine -DISTVERSION= 0.23.0 +DISTVERSION= 0.24.1 CATEGORIES= science python # chemistry MASTER_SITES= CHEESESHOP PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} @@ -24,11 +24,8 @@ TEST_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pytest>0:devel/py-pytest@${PY_FLAVOR} \ # last dependencies above are for specific quantum chemistry packages to test with TODO torchani,mopac,openmm,psi4,torsiondrive,mdi USES= python:3.8+ -USE_PYTHON= distutils concurrent autoplist +USE_PYTHON= distutils concurrent autoplist pytest # 7 tests fail, see https://github.com/MolSSI/QCEngine/issues/377 NO_ARCH= yes -do-test: - @cd ${WRKSRC} && pytest -rs --pyargs qcengine - .include <bsd.port.mk> diff --git a/science/py-qcengine/distinfo b/science/py-qcengine/distinfo index daf4f3f6207e..84eae5dec596 100644 --- a/science/py-qcengine/distinfo +++ b/science/py-qcengine/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1647788880 -SHA256 (qcengine-0.23.0.tar.gz) = 8039f436ee802d3af72b2667603480e911374b92508f9eb614fd9123d5371b1b -SIZE (qcengine-0.23.0.tar.gz) = 256733 +TIMESTAMP = 1664514799 +SHA256 (qcengine-0.24.1.tar.gz) = 2943866c641dd5f7d73644225bcc9e53155a9423807ddf2706ff679e4f608955 +SIZE (qcengine-0.24.1.tar.gz) = 285110 |