Date: Fri, 24 Aug 2018 08:05:04 +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: r477946 - head/science/nwchem Message-ID: <201808240805.w7O854tJ000569@repo.freebsd.org>
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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
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