diff --git a/science/nwchem/Makefile b/science/nwchem/Makefile
index 4040115ac198..9fe8a9e0d8c9 100644
--- a/science/nwchem/Makefile
+++ b/science/nwchem/Makefile
@@ -1,87 +1,101 @@
 PORTNAME=	nwchem
 DISTVERSIONPREFIX=	v
-DISTVERSION=	7.0.2.20211109
+DISTVERSION=	7.0.2.20211110
 DISTVERSIONSUFFIX=	-release
 MASTER_SITES=	https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3/:dftd3 \
-		https://web.archive.org/web/20210527062154if_/https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3/:dft3
-DISTFILES=	dftd3.tgz:dft3
+		https://web.archive.org/web/20210527062154if_/https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3/:dft3 \
+		https://gitlab.com/libxc/libxc/-/archive/${LIBXC_VERSION}/:libxc
+DISTFILES=	dftd3.tgz:dft3 \
+		libxc-${LIBXC_VERSION}.tar.gz:libxc
 CATEGORIES=	science
 DIST_SUBDIR=	${PORTNAME}-${PORTVERSION}
+EXTRACT_ONLY=	${DISTNAME}.tar.gz
 
 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
 
 BROKEN_aarch64=	fails to build: gfortran10: error: unrecognized command-line option '-m64'
 
 BUILD_DEPENDS=	bash:shells/bash
 LIB_DEPENDS=	libblas.so:math/blas \
 		libga.so:devel/ga
 RUN_DEPENDS=	nwchem-data>0:science/nwchem-data
 TEST_DEPENDS=	bash:shells/bash
 
 USES=		fortran gettext-runtime gmake perl5
 USE_PERL5=	build
 
 USE_GITHUB=	yes
 GH_ACCOUNT=	nwchemgit
-GH_TAGNAME=	9fcb2bdb8826fd5790eab199cc25c29ef3e534bf
+GH_TAGNAME=	7b21660b82ebd85ef659f6fba7e1e73433b0bd0a
 
 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_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}
+BINARY_ALIAS+=	make=${GMAKE} # only for LIBXC
 
 PLIST_FILES=	bin/nwchem etc/nwchemrc
 
-OPTIONS_DEFINE=		PYTHON
-OPTIONS_DEFAULT=	PYTHON MPICH # the default should be the same as for the MPI option in math/scalapack and devel/ga
+LIBXC_VERSION=	5.1.7 # from src/libext/libxc/build_libxc.sh
+
+OPTIONS_DEFINE=		LIBXC PYTHON
+OPTIONS_DEFAULT=	LIBXC PYTHON MPICH # the default should be the same as for the MPI option in math/scalapack and devel/ga
 OPTIONS_RADIO=		MPI
 OPTIONS_RADIO_MPI=	NOMPI MPICH OPENMPI
 
 NOMPI_DESC=		MPI isn't used
 NOMPI_BROKEN=		Fails to build without MPI
 
 MPICH_MAKE_ENV=		USE_MPI=Y
 MPICH_LIB_DEPENDS=	libmpich.so:net/mpich
 
 OPENMPI_MAKE_ENV=	USE_MPI=Y PATH=${LOCALBASE}/mpi/openmpi/bin:$${PATH} # mpif90 in path determines which MPI library to use, see https://www.nwchem-sw.org/index-php/Compiling_NWChem.html#MPI_variables
 OPENMPI_BUILD_DEPENDS=	openmpi>0:net/openmpi
 OPENMPI_RUN_DEPENDS=	openmpi>0:net/openmpi
 OPENMPI_VARS=		CONFLICTS_BUILD=mpich
 
+LIBXC_DESC=		Use libxc
+LIBXC_BUILD_DEPENDS=	cmake:devel/cmake
+LIBXC_MAKE_ENV=		USE_LIBXC=Y
+
 PYTHON_DESC=		Enable Python syntax in input files
 PYTHON_USES=		python
 PYTHON_MAKE_ENV=	PYTHONVERSION=${PYTHON_VER} NWCHEM_MODULES="all python"
 
 post-extract:
 	@${RM} ${WRKSRC}/atomscf/src.orig
 	# symlink the downloaded dftd3.tgz
 	@${LN} -s ${DISTDIR}/${DIST_SUBDIR}/dftd3.tgz ${WRKSRC}/nwpw/nwpwlib/nwpwxc/
 
+post-extract-LIBXC-on:
+	# symlink the downloaded libxc
+	@${LN} -s ${DISTDIR}/${DIST_SUBDIR}/libxc-${LIBXC_VERSION}.tar.gz ${WRKSRC}/libext/libxc/
+
 post-patch:
 	@${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>
diff --git a/science/nwchem/distinfo b/science/nwchem/distinfo
index 92aa80728aa1..14802ae65193 100644
--- a/science/nwchem/distinfo
+++ b/science/nwchem/distinfo
@@ -1,5 +1,7 @@
-TIMESTAMP = 1636484115
-SHA256 (nwchem-7.0.2.20211109/dftd3.tgz) = d97cf9758f61aa81fd85425448fbf4a6e8ce07c12e9236739831a3af32880f59
-SIZE (nwchem-7.0.2.20211109/dftd3.tgz) = 555804
-SHA256 (nwchem-7.0.2.20211109/nwchemgit-nwchem-v7.0.2.20211109-release-9fcb2bdb8826fd5790eab199cc25c29ef3e534bf_GH0.tar.gz) = fae73d7240c55c3c61f9cbff60fb997bf1330f1b6da86c9ceb644bc42457de42
-SIZE (nwchem-7.0.2.20211109/nwchemgit-nwchem-v7.0.2.20211109-release-9fcb2bdb8826fd5790eab199cc25c29ef3e534bf_GH0.tar.gz) = 198917659
+TIMESTAMP = 1636652585
+SHA256 (nwchem-7.0.2.20211110/dftd3.tgz) = d97cf9758f61aa81fd85425448fbf4a6e8ce07c12e9236739831a3af32880f59
+SIZE (nwchem-7.0.2.20211110/dftd3.tgz) = 555804
+SHA256 (nwchem-7.0.2.20211110/libxc-5.1.7.tar.gz) = 2d82b7bcfd8749490f6bb0906acf99fbf03050696dd2213da4b7a7600fc14328
+SIZE (nwchem-7.0.2.20211110/libxc-5.1.7.tar.gz) = 46172191
+SHA256 (nwchem-7.0.2.20211110/nwchemgit-nwchem-v7.0.2.20211110-release-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a_GH0.tar.gz) = d97ceb465553dc059cfa2cf003082783070aaa3b68e298dfd259205eeea98038
+SIZE (nwchem-7.0.2.20211110/nwchemgit-nwchem-v7.0.2.20211110-release-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a_GH0.tar.gz) = 198914856