diff --git a/science/mrchem/Makefile b/science/mrchem/Makefile
index 715f57cf7e61..bbb0f90c7fc7 100644
--- a/science/mrchem/Makefile
+++ b/science/mrchem/Makefile
@@ -1,53 +1,58 @@
 PORTNAME=	mrchem
 DISTVERSIONPREFIX=	v
-DISTVERSION=	1.1.0-20221026
+DISTVERSION=	1.1.1
 CATEGORIES=	science # chemistry
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	MultiResolution Chemistry
 WWW=		https://github.com/MRChemSoft/mrchem
 
 LICENSE=	GPLv3
 LICENSE_FILE=	${WRKSRC}/LICENSE
 
 BUILD_DEPENDS=	nlohmann-json>0:devel/nlohmann-json
 LIB_DEPENDS=	libmrcpp.so:science/mrcpp \
 		libxcfun.so:science/xcfun
 
 USES=		cmake:testing compiler:c++14-lang eigen:3 shebangfix
 
 USE_GITHUB=	yes
 GH_ACCOUNT=	MRChemSoft
-GH_TAGNAME=	40042fd7
 
 SHEBANG_FILES=	python/mrchem.in tests/*/test
 
 OPTIONS_DEFINE=		ARCH_FLAGS PYTHON # the Python module also exists in the separate port science/py-mrchem, so it should be off by default here
 OPTIONS_SINGLE=		MPI
 OPTIONS_SINGLE_MPI=	NOMPI MPICH OPENMPI
 OPTIONS_DEFAULT=	MPICH
 OPTIONS_SUB=		yes
 
 ARCH_FLAGS_DESC=	Enable architecture-specific compiler flags
 ARCH_FLAGS_CMAKE_BOOL=	ENABLE_ARCH_FLAGS
 
 NOMPI_DESC=		Build without parallel processing support
 
 MPICH_USES=		mpi:mpich
 MPICH_CMAKE_ON=		-DENABLE_MPI=ON
 
 OPENMPI_USES=		mpi:openmpi
 OPENMPI_CMAKE_ON=	-DENABLE_MPI=ON
 OPENMPI_BROKEN=		fails to compile with OpenMPI, see https://github.com/MRChemSoft/mrchem/issues/438
 
 PYTHON_USES=		python
 PYTHON_CMAKE_BOOL=	BUILD_PYTHON
 PYTHON_CMAKE_ON=	-DPython3_EXECUTABLE=${PYTHON_CMD} \
 			-DPYMOD_INSTALL_LIBDIR=${PYTHON_SITELIBDIR:S;${PREFIX}/lib/;;}
 
 post-install-PYTHON-on:
 	@${RMDIR} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/mrchem/input_parser/docs
 
-# tests require the port to be built with PYTHON=ON
+.include <bsd.port.options.mk>
+
+.if !${PORT_OPTIONS:MPYTHON}
+pre-test:
+	@${ECHO} "tests require the port to be built with PYTHON=ON" && false
+
+.endif
 
 .include <bsd.port.mk>
diff --git a/science/mrchem/distinfo b/science/mrchem/distinfo
index 190e5683b765..e59bef9c6664 100644
--- a/science/mrchem/distinfo
+++ b/science/mrchem/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1669872009
-SHA256 (MRChemSoft-mrchem-v1.1.0-20221026-40042fd7_GH0.tar.gz) = 8d6d9b50476b44f338b2fd5120113c68181f57949c1d75bfdd151de4802d62a6
-SIZE (MRChemSoft-mrchem-v1.1.0-20221026-40042fd7_GH0.tar.gz) = 4232434
+TIMESTAMP = 1670126062
+SHA256 (MRChemSoft-mrchem-v1.1.1_GH0.tar.gz) = 9926778edf8bb49fd4cde513faf6a887800ecf1791d1a71c0edae228ba6da646
+SIZE (MRChemSoft-mrchem-v1.1.1_GH0.tar.gz) = 4234232
diff --git a/science/py-mrchem/Makefile b/science/py-mrchem/Makefile
index 17316d11e19d..6efb3a4ffcf8 100644
--- a/science/py-mrchem/Makefile
+++ b/science/py-mrchem/Makefile
@@ -1,38 +1,37 @@
 PORTNAME=	mrchem
 DISTVERSIONPREFIX=	v
-DISTVERSION=	1.1.0-20221026
+DISTVERSION=	1.1.1
 CATEGORIES=	science python # chemistry
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	MultiResolution Chemistry
 WWW=		https://github.com/MRChemSoft/mrchem
 
 LICENSE=	GPLv3
 LICENSE_FILE=	${WRKSRC}/../LICENSE
 
 RUN_DEPENDS=	mrchem>0:science/mrchem
 
 USES=		cmake python shebangfix
 USE_PYTHON=	concurrent flavors
 
 USE_GITHUB=	yes
 GH_ACCOUNT=	MRChemSoft
-GH_TAGNAME=	40042fd7
 
 SHEBANG_FILES=	mrchem.in ../tests/*/test
 
 WRKSRC_SUBDIR=	python
 
 NO_ARCH=	yes
 
 CMAKE_ARGS=	-DPython3_EXECUTABLE=${PYTHON_CMD} \
 		-DCMAKE_INSTALL_BINDIR=bin \
 		-DPYMOD_INSTALL_LIBDIR=${PYTHON_SITELIBDIR:S;${PREFIX}/lib/;;}
 
 post-install:
 	@${RMDIR} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/mrchem/input_parser/docs
 
 # tests should be run in science/mrchem
 
 .include <bsd.port.mk>
diff --git a/science/py-mrchem/distinfo b/science/py-mrchem/distinfo
index c3c3508e85cc..c3a9a6b0a050 100644
--- a/science/py-mrchem/distinfo
+++ b/science/py-mrchem/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1669871808
-SHA256 (MRChemSoft-mrchem-v1.1.0-20221026-40042fd7_GH0.tar.gz) = 8d6d9b50476b44f338b2fd5120113c68181f57949c1d75bfdd151de4802d62a6
-SIZE (MRChemSoft-mrchem-v1.1.0-20221026-40042fd7_GH0.tar.gz) = 4232434
+TIMESTAMP = 1670135720
+SHA256 (MRChemSoft-mrchem-v1.1.1_GH0.tar.gz) = 9926778edf8bb49fd4cde513faf6a887800ecf1791d1a71c0edae228ba6da646
+SIZE (MRChemSoft-mrchem-v1.1.1_GH0.tar.gz) = 4234232