Index: head/science/nwchem/Makefile
===================================================================
--- head/science/nwchem/Makefile	(revision 551817)
+++ head/science/nwchem/Makefile	(revision 551818)
@@ -1,62 +1,61 @@
 # $FreeBSD$
 
 PORTNAME=	nwchem
 DISTVERSIONPREFIX=	v
-DISTVERSION=	7.0.0
+DISTVERSION=	7.0.1
 DISTVERSIONSUFFIX=	-release
-PORTREVISION=	1
 CATEGORIES=	science
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	High-performance computational chemistry software
 
 LICENSE=	ECL20
 LICENSE_NAME=	Educational Community License (ECL) 2.0
 LICENSE_FILE=	${WRKSRC}/../LICENSE.TXT
 LICENSE_PERMS=	dist-mirror dist-sell pkg-mirror pkg-sell auto-accept
 
 BUILD_DEPENDS=	bash:shells/bash
 LIB_DEPENDS=	libblas.so:math/blas \
 		libga.so:devel/ga \
 		libmpich.so:net/mpich
 RUN_DEPENDS=	nwchem-data>0:science/nwchem-data
 
 USES=		fortran gmake perl5 shebangfix
 SHEBANG_FILES=	../contrib/distro-tools/build_* ../contrib/add_* config/64_to_32
 SHEBANG_GLOB=	*.sh
 USE_GITHUB=	yes
 GH_ACCOUNT=	nwchemgit
 USE_PERL5=	build
 
 MAKEFILE=	GNUmakefile
 ARCH_64BIT=	${ARCH:C/.*64.*/64/:S/${ARCH}//}
 MAKE_ENV=	NWCHEM_TOP=${WRKSRC}/.. NWCHEM_MODULES=all NWCHEM_LONG_PATHS=Y NWCHEM_TARGET=LINUX${ARCH_64BIT} USE_MPI=Y USE_INTERNALBLAS=Y EXTERNAL_GA_PATH=${LOCALBASE} \
 		BLAS_SIZE=4 USE_64TO32=y
 
 SUB_FILES=	nwchemrc
 
 WRKSRC_SUBDIR=	src
 
 BINARY_ALIAS=	gcc=${CC} gfortran=gfortran${GCC_DEFAULT}
 
 PLIST_FILES=	bin/nwchem etc/nwchemrc
 
 post-extract:
 	@${RM} ${WRKSRC}/atomscf/src.orig
 
 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
 	${INSTALL_PROGRAM} ${WRKSRC}/../bin/LINUX${ARCH_64BIT}/${PORTNAME} ${STAGEDIR}${PREFIX}/bin/${PORTNAME}
 
 do-test:
 	@cd ${WRKSRC}/../QA && NWCHEM_TOP=${WRKSRC}/.. NWCHEM_TARGET=LINUX64 ./doqmtests.mpi
 
 .include <bsd.port.mk>
Index: head/science/nwchem/distinfo
===================================================================
--- head/science/nwchem/distinfo	(revision 551817)
+++ head/science/nwchem/distinfo	(revision 551818)
@@ -1,3 +1,3 @@
-TIMESTAMP = 1583039663
-SHA256 (nwchemgit-nwchem-v7.0.0-release_GH0.tar.gz) = dc03194513a6d2deecde6e80135b68419dca35483c9ecb45e35c5a028e27b15f
-SIZE (nwchemgit-nwchem-v7.0.0-release_GH0.tar.gz) = 189166887
+TIMESTAMP = 1602250173
+SHA256 (nwchemgit-nwchem-v7.0.1-release_GH0.tar.gz) = b68b36647855eb2038471412a1d4c955e3a417c2abc7851b0bfcfbf1ee8e4fde
+SIZE (nwchemgit-nwchem-v7.0.1-release_GH0.tar.gz) = 189085719
Index: head/science/nwchem/files/patch-config_makefile.h
===================================================================
--- head/science/nwchem/files/patch-config_makefile.h	(revision 551817)
+++ head/science/nwchem/files/patch-config_makefile.h	(revision 551818)
@@ -1,47 +1,35 @@
---- config/makefile.h.orig	2019-11-23 16:35:56 UTC
+--- config/makefile.h.orig	2020-10-08 04:03:38 UTC
 +++ config/makefile.h
-@@ -988,9 +988,9 @@ ifeq ($(TARGET),MACX)
+@@ -1027,9 +1027,9 @@ ifeq ($(TARGET),MACX)
          FDEBUG = -O0 -g
          FOPTIMIZE  = -O2 -ffast-math -Wuninitialized 
          DEFINES  += -DGFORTRAN
 -        GNUMAJOR=$(shell $(_FC) -dM -E - < /dev/null 2> /dev/null | grep __GNUC__ |cut -c18-)
 +        GNUMAJOR=$(shell $(FC) -dM -E - < /dev/null 2> /dev/null | grep __GNUC__ |cut -c18-)
          ifdef GNUMAJOR
 -        GNUMINOR=$(shell $(_FC) -dM -E - < /dev/null 2> /dev/null | egrep __GNUC_MINOR | cut -c24)
 +        GNUMINOR=$(shell $(FC) -dM -E - < /dev/null 2> /dev/null | egrep __GNUC_MINOR | cut -c24)
          GNU_GE_4_6 = $(shell [ $(GNUMAJOR) -gt 4 -o \( $(GNUMAJOR) -eq 4 -a $(GNUMINOR) -ge 6 \) ] && echo true)
          GNU_GE_4_8 = $(shell [ $(GNUMAJOR) -gt 4 -o \( $(GNUMAJOR) -eq 4 -a $(GNUMINOR) -ge 8 \) ] && echo true)
          GNU_GE_6 = $(shell [ $(GNUMAJOR) -ge 6  ] && echo true)
-@@ -1156,9 +1156,9 @@ endif
+@@ -1195,9 +1195,9 @@ endif
  #
           FOPTIMIZE+= -funroll-all-loops -mtune=native 
           FVECTORIZE=-O3 -ffast-math -mtune=native -mfpmath=sse -msse3 -ftree-vectorize -ftree-vectorizer-verbose=1   -fprefetch-loop-arrays  -funroll-all-loops 
 -        GNUMAJOR=$(shell $(_FC) -dM -E - < /dev/null 2> /dev/null | grep __GNUC__ |cut -c18-)
 +        GNUMAJOR=$(shell $(FC) -dM -E - < /dev/null 2> /dev/null | grep __GNUC__ |cut -c18-)
  	ifneq ($(strip $(GNUMAJOR)),)
 -        GNUMINOR=$(shell $(_FC) -dM -E - < /dev/null 2> /dev/null | egrep __GNUC_MINOR | cut -c24)
 +        GNUMINOR=$(shell $(FC) -dM -E - < /dev/null 2> /dev/null | egrep __GNUC_MINOR | cut -c24)
          GNU_GE_4_6 = $(shell [ $(GNUMAJOR) -gt 4 -o \( $(GNUMAJOR) -eq 4 -a $(GNUMINOR) -ge 6 \) ] && echo true)
          GNU_GE_4_8 = $(shell [ $(GNUMAJOR) -gt 4 -o \( $(GNUMAJOR) -eq 4 -a $(GNUMINOR) -ge 8 \) ] && echo true)
          GNU_GE_6 = $(shell [ $(GNUMAJOR) -ge 6  ] && echo true)
-@@ -1339,7 +1339,7 @@ ifeq ($(TARGET),$(findstring $(TARGET),LINUX CYGNUS CY
+@@ -1378,7 +1378,7 @@ ifeq ($(TARGET),$(findstring $(TARGET),LINUX CYGNUS CY
          FOPTIONS   = # -Wextra -Wunused  
          FOPTIMIZE  += -ffast-math -Wuninitialized
          DEFINES  += -DGFORTRAN
 -        GNUMAJOR=$(shell $(_FC) -dM -E - < /dev/null 2> /dev/null | grep __GNUC__ |cut -c18-)
 +        GNUMAJOR=$(shell $(FC) -dM -E - < /dev/null 2> /dev/null | grep __GNUC__ |cut -c18-)
          ifdef GNUMAJOR
            GNUMINOR=$(shell $(FC) -dM -E - < /dev/null 2> /dev/null | egrep __VERS | cut -c24)
            GNU_GE_4_6 = $(shell [ $(GNUMAJOR) -gt 4 -o \( $(GNUMAJOR) -eq 4 -a $(GNUMINOR) -ge 6 \) ] && echo true)
-@@ -1768,9 +1768,9 @@ endif
-          CFLAGS_FORGA = -mcmodel=medium
-          FFLAGS_FORGA = -mcmodel=medium
-         else
--        GNUMAJOR=$(shell $(_FC) -dM -E - < /dev/null 2> /dev/null | grep __GNUC__ |cut -c18-)
-+        GNUMAJOR=$(shell $(FC) -dM -E - < /dev/null 2> /dev/null | grep __GNUC__ |cut -c18-)
-         ifdef GNUMAJOR
--        GNUMINOR=$(shell $(_FC) -dM -E - < /dev/null 2> /dev/null | egrep __GNUC_MINOR | cut -c24)
-+        GNUMINOR=$(shell $(FC) -dM -E - < /dev/null 2> /dev/null | egrep __GNUC_MINOR | cut -c24)
-         GNU_GE_4_6 = $(shell [ $(GNUMAJOR) -gt 4 -o \( $(GNUMAJOR) -eq 4 -a $(GNUMINOR) -ge 6 \) ] && echo true)
-         GNU_GE_4_8 = $(shell [ $(GNUMAJOR) -gt 4 -o \( $(GNUMAJOR) -eq 4 -a $(GNUMINOR) -ge 8 \) ] && echo true)
-         endif
Index: head/science/nwchem/pkg-descr
===================================================================
--- head/science/nwchem/pkg-descr	(revision 551817)
+++ head/science/nwchem/pkg-descr	(revision 551818)
@@ -1,15 +1,15 @@
 NWChem aims to provide its users with computational chemistry tools that are
 scalable both in their ability to treat large scientific computational chemistry
 problems efficiently, and in their use of available parallel computing resources
 from high-performance parallel supercomputers to conventional workstation
 clusters.
 
 NWChem software can handle:
 * Biomolecules, nanostructures, and solid-state
 * From quantum to classical, and all combinations
 * Ground and excited-states
 * Gaussian basis functions or plane-waves
 * Scaling from one to thousands of processors
 * Properties and relativistic effects 
 
-WWW: http://www.nwchem-sw.org/index.php/Main_Page
+WWW: https://nwchemgit.github.io/