Date: Sun, 3 Feb 2019 18:49:23 +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: r492059 - in head/biology: . prodigy-lig Message-ID: <201902031849.x13InNrM041017@repo.freebsd.org>
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Author: yuri Date: Sun Feb 3 18:49:23 2019 New Revision: 492059 URL: https://svnweb.freebsd.org/changeset/ports/492059 Log: New port: biology/prodigy-lig: Prediction of protein-small molecule binding affinities Added: head/biology/prodigy-lig/ head/biology/prodigy-lig/Makefile (contents, props changed) head/biology/prodigy-lig/distinfo (contents, props changed) head/biology/prodigy-lig/pkg-descr (contents, props changed) Modified: head/biology/Makefile Modified: head/biology/Makefile ============================================================================== --- head/biology/Makefile Sun Feb 3 18:08:14 2019 (r492058) +++ head/biology/Makefile Sun Feb 3 18:49:23 2019 (r492059) @@ -102,6 +102,7 @@ SUBDIR += plinkseq SUBDIR += primer3 SUBDIR += prodigal + SUBDIR += prodigy-lig SUBDIR += protomol SUBDIR += psi88 SUBDIR += py-Genesis-PyAPI Added: head/biology/prodigy-lig/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/biology/prodigy-lig/Makefile Sun Feb 3 18:49:23 2019 (r492059) @@ -0,0 +1,25 @@ +# $FreeBSD$ + +PORTNAME= prodigy-lig +DISTVERSIONPREFIX= v +DISTVERSION= 1.0.0-3 +DISTVERSIONSUFFIX= -g152ac59 +CATEGORIES= biology python + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Prediction of protein-small molecule binding affinities + +LICENSE= APACHE20 +LICENSE_FILE= ${WRKSRC}/LICENSE + +BUILD_DEPENDS= ${PYNUMPY} \ + ${PYTHON_PKGNAMEPREFIX}biopython>0:biology/py-biopython@${PY_FLAVOR} + +USES= gmake python:3.5+ +USE_GITHUB= yes +GH_ACCOUNT= haddocking +USE_PYTHON= distutils noflavors autoplist + +NO_ARCH= yes + +.include <bsd.port.mk> Added: head/biology/prodigy-lig/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/biology/prodigy-lig/distinfo Sun Feb 3 18:49:23 2019 (r492059) @@ -0,0 +1,3 @@ +TIMESTAMP = 1549219115 +SHA256 (haddocking-prodigy-lig-v1.0.0-3-g152ac59_GH0.tar.gz) = abf9e9e0baf2e91d306e3a297705f2c5a50149b145cdf64b990e25d9efa28731 +SIZE (haddocking-prodigy-lig-v1.0.0-3-g152ac59_GH0.tar.gz) = 155336 Added: head/biology/prodigy-lig/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/biology/prodigy-lig/pkg-descr Sun Feb 3 18:49:23 2019 (r492059) @@ -0,0 +1,5 @@ +PRODIGY-LIG (PROtein binDIng enerGY prediction - LIGands) is a structure-based +method for the prediction of binding affinity in protein-small ligand (such as +drugs or metabolites) complexes. + +WWW: https://nestor.science.uu.nl/prodigy/lig
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