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Fri, 30 Sep 2022 06:19:14 GMT (envelope-from git) Date: Fri, 30 Sep 2022 06:19:14 GMT Message-Id: <202209300619.28U6JEmD011231@gitrepo.freebsd.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org From: Yuri Victorovich Subject: git: 7113ea0ce525 - main - science/py-qcengine: Update 0.23.0 -> 0.24.1 List-Id: Commit messages for all branches of the ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-all List-Help: List-Post: List-Subscribe: List-Unsubscribe: Sender: owner-dev-commits-ports-all@freebsd.org X-BeenThere: dev-commits-ports-all@freebsd.org MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: 8bit X-Git-Committer: yuri X-Git-Repository: ports X-Git-Refname: refs/heads/main X-Git-Reftype: branch X-Git-Commit: 7113ea0ce5251706f3c03d5ad8063c2422f5828f Auto-Submitted: auto-generated ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; 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mx1.freebsd.org; none X-ThisMailContainsUnwantedMimeParts: N The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=7113ea0ce5251706f3c03d5ad8063c2422f5828f commit 7113ea0ce5251706f3c03d5ad8063c2422f5828f Author: Yuri Victorovich AuthorDate: 2022-09-30 06:06:33 +0000 Commit: Yuri Victorovich CommitDate: 2022-09-30 06:19:06 +0000 science/py-qcengine: Update 0.23.0 -> 0.24.1 Reported by: portscout --- science/py-qcengine/Makefile | 7 ++----- 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 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