Index: head/science/gromacs/Makefile
===================================================================
--- head/science/gromacs/Makefile	(revision 567889)
+++ head/science/gromacs/Makefile	(revision 567890)
@@ -1,99 +1,99 @@
 # Created by: Stephen Montgomery-Smith <stephen@math.missouri.edu>
 # $FreeBSD$
 
 PORTNAME=	gromacs
-DISTVERSION=	2021
+DISTVERSION=	2021.1
 CATEGORIES=	science
 MASTER_SITES=	ftp://ftp.gromacs.org/pub/gromacs/
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Compute molecular dynamics
 
 LICENSE=	LGPL21
 LICENSE_FILE=	${WRKSRC}/COPYING
 
 BROKEN_i386=	undefined reference to `__atomic_load' and `__atomic_compare_exchange'
 
 BUILD_DEPENDS=	boost-libs>=1.44:devel/boost-libs
 LIB_DEPENDS=	libhwloc.so:devel/hwloc2
 
 USES=		cmake compiler:c++14-lang fortran gnome perl5 pkgconfig shebangfix xorg
 SHEBANG_FILES=	admin/*.sh scripts/*.pl scripts/*.sh src/gromacs/selection/*.sh
 bash_CMD=	${SH}
 USE_GNOME=	libxml2
 CMAKE_OFF=	GMX_USE_RDTSCP \
 		USE_PYTHON_SCRIPTS
 USE_LDCONFIG=	yes
 
 OPTIONS_DEFINE=		ATLAS FLOAT LEGACY OPENCL OPENMP SIMD X11
 OPTIONS_SINGLE=		MP
 OPTIONS_SINGLE_MP=	NOMP MPICH OPENMPI THREAD_MPI
 OPTIONS_DEFAULT=	LEGACY OPENMP THREAD_MPI X11 # FLOAT should not a default because science/votca needs double precision. This is likely the same for many other uses.
 OPTIONS_SUB=		yes
 
 ATLAS_DESC=		Use ATLAS for BLAS and LAPACK
 ATLAS_USES=		blaslapack:atlas
 ATLAS_USES_OFF=		blaslapack
 ATLAS_CMAKE_ON=		-DBLAS_LIBRARIES:FILEPATH="${LOCALBASE}/lib/libcblas.so;${LOCALBASE}/lib/libf77blas.so" \
 			-DLAPACK_LIBRARIES:FILEPATH="${LOCALBASE}/lib/libalapack.so"
 ATLAS_CMAKE_OFF=	-DBLAS_LIBRARIES:FILEPATH="${LOCALBASE}/lib/libblas.so" \
 			-DLAPACK_LIBRARIES:FILEPATH="${LOCALBASE}/lib/liblapack.so"
 
 FLOAT_DESC=		Use single instead of double precision
 FLOAT_BUILD_DEPENDS=	fftw3>0:math/fftw3
 FLOAT_LIB_DEPENDS=	libfftw3f.so:math/fftw3-float
 FLOAT_LIB_DEPENDS_OFF=	libfftw3.so:math/fftw3
 FLOAT_CMAKE_ON=		-DGMX_DOUBLE:BOOL=OFF
 FLOAT_CMAKE_OFF=	-DGMX_DOUBLE:BOOL=ON
 FLOAT_PLIST_SUB=	SUFFIX_D=""
 FLOAT_PLIST_SUB_OFF=	SUFFIX_D="_d"
 
 LEGACY_DESC=		Install legacy API # expected by science/votca
 LEGACY_CMAKE_BOOL=	GMX_INSTALL_LEGACY_API
 
 OPENCL_CMAKE_BOOL=	GMX_USE_OPENCL
 OPENCL_CMAKE_ON=	-DGMX_GPU:STRING=OpenCL # one of: OFF, CUDA, OpenCL, SYCL
 OPENCL_CMAKE_OFF=	-DGMX_GPU:STRING=OFF
 OPENCL_LIB_DEPENDS=	libOpenCL.so:devel/ocl-icd
 
 OPENMP_CMAKE_ON=	-DGMX_CXX11:BOOL=OFF
 OPENMP_CMAKE_OFF=	-DGMX_OPENMP:BOOL=OFF
 
 SIMD_CMAKE_OFF=		-DGMX_SIMD:STRING="None"
 
 X11_USE=		XORG=ice,sm,xext,x11
 X11_CMAKE_BOOL=		GMX_X11
 
 MP_DESC=		Multiprocessing
 
 NOMP_DESC=		No multiprocessing support
 NOMP_PLIST_SUB=		SUFFIX_MPI=""
 
 MPICH_DESC=		Parallel processing support via MPICH
 MPICH_LIB_DEPENDS=	libmpich.so:net/mpich
 MPICH_CMAKE_ON=		-DGMX_MPI:BOOL=ON \
 			-DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/bin/mpicc"
 MPICH_PLIST_SUB=	SUFFIX_MPI="_mpi"
 
 OPENMPI_BUILD_DEPENDS=	openmpi>0:net/openmpi
 OPENMPI_RUN_DEPENDS=	openmpi>0:net/openmpi
 OPENMPI_CMAKE_ON=	-DGMX_MPI:BOOL=ON \
 			-DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/mpi/openmpi/bin/mpicc"
 OPENMPI_PLIST_SUB=	SUFFIX_MPI="_mpi"
 
 THREAD_MPI_DESC=	Build a thread-MPI-based multithreaded version of GROMACS
 THREAD_MPI_CMAKE_BOOL=	GMX_THREAD_MPI
 THREAD_MPI_PLIST_SUB=	SUFFIX_MPI=""
 
 post-patch:
 	@${FIND} ${WRKSRC} -name "CMakeLists.txt" | ${XARGS} \
 		${REINPLACE_CMD} -e \
 		's|share/man|man| ; \
 		 /pkgconfig/s|LIB_INSTALL_DIR}|CMAKE_INSTALL_PREFIX}/libdata|'
 	@${FIND} ${WRKSRC} -name "GMXRC.*" | ${XARGS} ${REINPLACE_CMD} -e \
 		's|LDLIB/pkgconfig|LDLIB/../libdata/pkgconfig| ; \
 		 s|LDLIB}/pkgconfig|LDLIB}/../libdata/pkgconfig|'
 	@${REINPLACE_CMD} -e '/CMAKE_REQUIRED_LIBRARIES/d' \
 		${WRKSRC}/cmake/gmxTestdlopen.cmake
 
 .include <bsd.port.mk>
Index: head/science/gromacs/distinfo
===================================================================
--- head/science/gromacs/distinfo	(revision 567889)
+++ head/science/gromacs/distinfo	(revision 567890)
@@ -1,3 +1,3 @@
-TIMESTAMP = 1613676352
-SHA256 (gromacs-2021.tar.gz) = efa78ab8409b0f5bf0fbca174fb8fbcf012815326b5c71a9d7c385cde9a8f87b
-SIZE (gromacs-2021.tar.gz) = 35061679
+TIMESTAMP = 1615261255
+SHA256 (gromacs-2021.1.tar.gz) = bc1d0a75c134e1fb003202262fe10d3d32c59bbb40d714bc3e5015c71effe1e5
+SIZE (gromacs-2021.1.tar.gz) = 37971732