svn commit: r477946 - head/science/nwchem
Yuri Victorovich
yuri at FreeBSD.org
Fri Aug 24 08:05:05 UTC 2018
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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