Date: Sat, 9 Feb 2019 22:51:25 +0000 (UTC) From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r492529 - in head/science: . py-oddt Message-ID: <201902092251.x19MpPXa040595@repo.freebsd.org>
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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 <bsd.port.mk> 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
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