From owner-svn-ports-head@freebsd.org Sat Feb 9 22:51:26 2019 Return-Path: Delivered-To: svn-ports-head@mailman.ysv.freebsd.org Received: from mx1.freebsd.org (mx1.freebsd.org [IPv6:2610:1c1:1:606c::19:1]) by mailman.ysv.freebsd.org (Postfix) with ESMTP id AED1A14D0D04; Sat, 9 Feb 2019 22:51:26 +0000 (UTC) (envelope-from yuri@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) server-signature RSA-PSS (4096 bits) client-signature RSA-PSS (4096 bits) client-digest SHA256) (Client CN "mxrelay.nyi.freebsd.org", Issuer "Let's Encrypt Authority X3" (verified OK)) by mx1.freebsd.org (Postfix) with ESMTPS id 4C61F8621F; Sat, 9 Feb 2019 22:51:26 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from repo.freebsd.org (repo.freebsd.org [IPv6:2610:1c1:1:6068::e6a:0]) (using TLSv1.2 with cipher ECDHE-RSA-AES256-GCM-SHA384 (256/256 bits)) (Client did not present a certificate) by mxrelay.nyi.freebsd.org (Postfix) with ESMTPS id 3C3767595; Sat, 9 Feb 2019 22:51:26 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from repo.freebsd.org ([127.0.1.37]) by repo.freebsd.org (8.15.2/8.15.2) with ESMTP id x19MpQ6O040599; Sat, 9 Feb 2019 22:51:26 GMT (envelope-from yuri@FreeBSD.org) Received: (from yuri@localhost) by repo.freebsd.org (8.15.2/8.15.2/Submit) id x19MpPXa040595; Sat, 9 Feb 2019 22:51:25 GMT (envelope-from yuri@FreeBSD.org) Message-Id: <201902092251.x19MpPXa040595@repo.freebsd.org> X-Authentication-Warning: repo.freebsd.org: yuri set sender to yuri@FreeBSD.org using -f From: Yuri Victorovich Date: Sat, 9 Feb 2019 22:51:25 +0000 (UTC) To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r492529 - in head/science: . py-oddt X-SVN-Group: ports-head X-SVN-Commit-Author: yuri X-SVN-Commit-Paths: in head/science: . py-oddt X-SVN-Commit-Revision: 492529 X-SVN-Commit-Repository: ports MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit X-Rspamd-Queue-Id: 4C61F8621F X-Spamd-Bar: -- Authentication-Results: mx1.freebsd.org X-Spamd-Result: default: False [-2.96 / 15.00]; local_wl_from(0.00)[FreeBSD.org]; NEURAL_HAM_MEDIUM(-1.00)[-0.996,0]; NEURAL_HAM_SHORT(-0.96)[-0.961,0]; ASN(0.00)[asn:11403, ipnet:2610:1c1:1::/48, country:US]; NEURAL_HAM_LONG(-1.00)[-1.000,0] X-BeenThere: svn-ports-head@freebsd.org X-Mailman-Version: 2.1.29 Precedence: list List-Id: SVN commit messages for the ports tree for head List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , X-List-Received-Date: Sat, 09 Feb 2019 22:51:27 -0000 Author: yuri Date: Sat Feb 9 22:51:25 2019 New Revision: 492529 URL: https://svnweb.freebsd.org/changeset/ports/492529 Log: New port: science/py-oddt: Open Drug Discovery Toolkit Added: head/science/py-oddt/ head/science/py-oddt/Makefile (contents, props changed) head/science/py-oddt/distinfo (contents, props changed) head/science/py-oddt/pkg-descr (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Sat Feb 9 22:44:38 2019 (r492528) +++ head/science/Makefile Sat Feb 9 22:51:25 2019 (r492529) @@ -238,6 +238,7 @@ SUBDIR += py-molmod SUBDIR += py-netCDF4 SUBDIR += py-obspy + SUBDIR += py-oddt SUBDIR += py-openpiv SUBDIR += py-paida SUBDIR += py-paramz Added: head/science/py-oddt/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/py-oddt/Makefile Sat Feb 9 22:51:25 2019 (r492529) @@ -0,0 +1,28 @@ +# $FreeBSD$ + +PORTNAME= oddt +DISTVERSION= 0.6 +CATEGORIES= science python +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Open Drug Discovery Toolkit + +LICENSE= BSD3CLAUSE +LICENSE_FILE= ${WRKSRC}/LICENSE + +BUILD_DEPENDS= ${PYNUMPY} \ + ${PYTHON_PKGNAMEPREFIX}joblib>0:devel/py-joblib@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}pandas>0:math/py-pandas@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}scikit-learn>0:science/py-scikit-learn@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}scipy>=0.9.0:science/py-scipy@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}six>0:devel/py-six@${PY_FLAVOR} +RUN_DEPENDS:= ${BUILD_DEPENDS} + +USES= python +USE_GITHUB= yes +USE_PYTHON= distutils concurrent autoplist + +NO_ARCH= yes + +.include Added: head/science/py-oddt/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/py-oddt/distinfo Sat Feb 9 22:51:25 2019 (r492529) @@ -0,0 +1,3 @@ +TIMESTAMP = 1549751740 +SHA256 (oddt-oddt-0.6_GH0.tar.gz) = 9fb2eb8e77ea4dbbe4e447ba0a11474696f9b68dc6a3bd0f83beda7d7e473e61 +SIZE (oddt-oddt-0.6_GH0.tar.gz) = 41762059 Added: head/science/py-oddt/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/py-oddt/pkg-descr Sat Feb 9 22:51:25 2019 (r492529) @@ -0,0 +1,5 @@ +Open Drug Discovery Toolkit (ODDT) is modular and comprehensive toolkit for use +in cheminformatics, molecular modeling etc. ODDT is written in Python, and make +extensive use of numpy/scipy. + +WWW: https://github.com/oddt/oddt