From owner-svn-ports-head@freebsd.org Fri Aug 24 08:05:05 2018 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 4CD291082ECA; Fri, 24 Aug 2018 08:05:05 +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 TLSv1.2 with cipher ECDHE-RSA-AES256-GCM-SHA384 (256/256 bits)) (Client CN "mxrelay.nyi.freebsd.org", Issuer "Let's Encrypt Authority X3" (verified OK)) by mx1.freebsd.org (Postfix) with ESMTPS id 0399D7C3B5; Fri, 24 Aug 2018 08:05:05 +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 D4EFC673C; Fri, 24 Aug 2018 08:05:04 +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 w7O854e6000570; Fri, 24 Aug 2018 08:05:04 GMT (envelope-from yuri@FreeBSD.org) Received: (from yuri@localhost) by repo.freebsd.org (8.15.2/8.15.2/Submit) id w7O854tJ000569; Fri, 24 Aug 2018 08:05:04 GMT (envelope-from yuri@FreeBSD.org) Message-Id: <201808240805.w7O854tJ000569@repo.freebsd.org> X-Authentication-Warning: repo.freebsd.org: yuri set sender to yuri@FreeBSD.org using -f From: Yuri Victorovich Date: Fri, 24 Aug 2018 08:05:04 +0000 (UTC) To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r477946 - head/science/nwchem X-SVN-Group: ports-head X-SVN-Commit-Author: yuri X-SVN-Commit-Paths: head/science/nwchem X-SVN-Commit-Revision: 477946 X-SVN-Commit-Repository: ports MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit X-BeenThere: svn-ports-head@freebsd.org X-Mailman-Version: 2.1.27 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: Fri, 24 Aug 2018 08:05:05 -0000 Author: yuri Date: Fri Aug 24 08:05:04 2018 New Revision: 477946 URL: https://svnweb.freebsd.org/changeset/ports/477946 Log: science/nwchem: Add additional build steps and environment variables Otherwise the binary fails for some testcases. Reported by: upstream maintainer, user edoapra on github Modified: head/science/nwchem/Makefile Modified: head/science/nwchem/Makefile ============================================================================== --- head/science/nwchem/Makefile Fri Aug 24 07:46:28 2018 (r477945) +++ head/science/nwchem/Makefile Fri Aug 24 08:05:04 2018 (r477946) @@ -2,7 +2,7 @@ PORTNAME= nwchem DISTVERSION= 6.8.1-release-94 -PORTREVISION= 1 +PORTREVISION= 2 DISTVERSIONSUFFIX= -g1a262862b CATEGORIES= science @@ -27,7 +27,8 @@ SHEBANG_GLOB= *.sh USE_GITHUB= yes GH_ACCOUNT= nwchemgit MAKEFILE= GNUmakefile -MAKE_ENV= NWCHEM_TOP=${WRKSRC}/.. NWCHEM_MODULES=all NWCHEM_LONG_PATHS=Y NWCHEM_TARGET=LINUX64 USE_MPI=Y USE_INTERNALBLAS=Y EXTERNAL_GA_PATH=${LOCALBASE} BLAS_SIZE=4 +MAKE_ENV= NWCHEM_TOP=${WRKSRC}/.. NWCHEM_MODULES=all NWCHEM_LONG_PATHS=Y NWCHEM_TARGET=LINUX64 USE_MPI=Y USE_INTERNALBLAS=Y EXTERNAL_GA_PATH=${LOCALBASE} \ + BLAS_SIZE=4 USE_64TO32=y SUB_FILES= nwchemrc @@ -36,6 +37,11 @@ BINARY_ALIAS= gcc=${CC} post-patch: @${REINPLACE_CMD} 's|nwchrc="/etc/nwchemrc"|nwchrc="${PREFIX}/etc/nwchemrc"|' ${WRKSRC}/util/util_nwchemrc.F + +pre-build: + @cd ${WRKSRC} && \ + ${SETENV} ${MAKE_ENV} ${MAKE_CMD} nwchem_config && \ + ${SETENV} ${MAKE_ENV} ${MAKE_CMD} 64_to_32 do-install: ${INSTALL_DATA} ${WRKDIR}/nwchemrc ${STAGEDIR}${PREFIX}/etc/nwchemrc