From nobody Tue Aug 1 09:43:16 2023 X-Original-To: dev-commits-ports-main@mlmmj.nyi.freebsd.org Received: from mx1.freebsd.org (mx1.freebsd.org [IPv6:2610:1c1:1:606c::19:1]) by mlmmj.nyi.freebsd.org (Postfix) with ESMTP id 4RFVY54BRfz4q22D; Tue, 1 Aug 2023 09:43:31 +0000 (UTC) (envelope-from git@FreeBSD.org) Received: from mxrelay.nyi.freebsd.org (mxrelay.nyi.freebsd.org [IPv6:2610:1c1:1:606c::19:3]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits) key-exchange X25519 server-signature RSA-PSS (4096 bits) server-digest SHA256 client-signature RSA-PSS (4096 bits) client-digest SHA256) (Client CN "mxrelay.nyi.freebsd.org", Issuer "R3" (verified OK)) by mx1.freebsd.org (Postfix) with ESMTPS id 4RFVXh5bkPz3RDZ; Tue, 1 Aug 2023 09:43:16 +0000 (UTC) (envelope-from git@FreeBSD.org) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1690882996; h=from:from:reply-to:subject:subject:date:date:message-id:message-id: to:to:cc:mime-version:mime-version:content-type:content-type: content-transfer-encoding:content-transfer-encoding; bh=VaEsTqybCNV9qXTIE3KH7yt+bIdpF8qUjtMNIUI/Uvw=; b=SKPSqt8PHhLRWa91fAhi2qLieiRsNDKwwbC+nFRHiQf9hzX5eSU0lgvOOGyxoC9EZUHZh0 BD84faXbgUxCslzTO6pnFzdS0mJp/N3K/YWkKVqWo56GO6XG5hLsyIYwBrUUiRran1t1y1 tBr4HsindNps3FwoPKxtigPOIa7rzz7sFg9pyLiHNXH1Obnmn6x2EkT6muJBYk526qCHJa M7czrlTChnAI5V8WuejGSDP/nJvmrGBBaA9ahrHNf2MYRULnrkxZRV31ipZz4HayGUfBtp 5qj7Vyh/UA79E7Di8zWO+m835cu+BPCFs0AeSD+5lLZSKLK+INuLxfxDlsBOUQ== ARC-Seal: i=1; s=dkim; d=freebsd.org; t=1690882996; a=rsa-sha256; cv=none; b=wU0sZ+Q8dQz8hx2tsr0XyrXd4HmCi7GqF8HMwweRbdG8Tta0wmqhm7GYUbROfqgMg2c5A5 LPyttaw9z4hXeRWzcEoS7wH+YeX/KCDQNYTNiK9bnL5ywSUDECNv5q02a/Vny1vhIoGARl LlIGZIWkdRA2b9qVZ/huRc3QbKzGe6cz2lW4/G66nnVHZv7TPBgsiWtiPCkEuAOCq0vAVl rry1z2WDHhOsl/0dnFKcxRRaAjWavfHv4PmH7PcF6OJStTpgYXlhb0tDmZ6u8VjO+G8siH fblCHiMebubYXzCHSZfcOXZ/EHtBXZuPmY4HtBdKqoUJFKusTXj1VLuvdJbZzA== ARC-Authentication-Results: i=1; mx1.freebsd.org; none ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1690882996; h=from:from:reply-to:subject:subject:date:date:message-id:message-id: to:to:cc:mime-version:mime-version:content-type:content-type: content-transfer-encoding:content-transfer-encoding; bh=VaEsTqybCNV9qXTIE3KH7yt+bIdpF8qUjtMNIUI/Uvw=; b=upapOBOrr/diyfwh0psiyD7XzYH+6J3SyeWt9coy7RvNOk1X017h1Qksl35kspMsiRpTR1 sM+cu9Xq5gHThHDQdYT0t6YaEC5N7/PIiOdjXBINPTu1EpZ2g93tjPfaocTgP8fJZ2WTnW fRngnxNRdCg0NFhohLUqPEFftm+2svW5Ub2i0vZWBx6RFUYvhvYupIXEOG9bwfkj3AApTI bA/650bLv6qTXeG7hk+mqUzNuFCPReLg3CU3/B4uZLPcIz8lydW/bMHuOBQu40vpw+HMNE A5ee+lArqs9Vtz4mB2EIE4SXUD5iE7vsng8mdjR9C1VnTWgvdCaWOwFwO8dVGw== Received: from gitrepo.freebsd.org (gitrepo.freebsd.org [IPv6:2610:1c1:1:6068::e6a:5]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits) key-exchange X25519 server-signature RSA-PSS (4096 bits) server-digest SHA256) (Client did not present a certificate) by mxrelay.nyi.freebsd.org (Postfix) with ESMTPS id 4RFVXh428CzXWB; Tue, 1 Aug 2023 09:43:16 +0000 (UTC) (envelope-from git@FreeBSD.org) Received: from gitrepo.freebsd.org ([127.0.1.44]) by gitrepo.freebsd.org (8.17.1/8.17.1) with ESMTP id 3719hGXQ084633; Tue, 1 Aug 2023 09:43:16 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.17.1/8.17.1/Submit) id 3719hG1w084632; Tue, 1 Aug 2023 09:43:16 GMT (envelope-from git) Date: Tue, 1 Aug 2023 09:43:16 GMT Message-Id: <202308010943.3719hG1w084632@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: 7a2eb7000ff5 - main - =?utf-8?Q?science/py-qcelemental:=20Update=200.25.1=20=E2=86=92=200.26.0?= List-Id: Commits to the main branch of the FreeBSD ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-main List-Help: List-Post: List-Subscribe: List-Unsubscribe: Sender: owner-dev-commits-ports-main@freebsd.org X-BeenThere: dev-commits-ports-main@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: 7a2eb7000ff576b71d6ee69e6142067d505f86f2 Auto-Submitted: auto-generated The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=7a2eb7000ff576b71d6ee69e6142067d505f86f2 commit 7a2eb7000ff576b71d6ee69e6142067d505f86f2 Author: Yuri Victorovich AuthorDate: 2023-08-01 09:42:48 +0000 Commit: Yuri Victorovich CommitDate: 2023-08-01 09:43:05 +0000 science/py-qcelemental: Update 0.25.1 → 0.26.0 Reported by: portscout --- science/py-qcelemental/Makefile | 14 ++++++++++---- 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 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