diff --git a/science/psi4/Makefile b/science/psi4/Makefile
index a2ece2d973c0..aac33fa4c4e6 100644
--- a/science/psi4/Makefile
+++ b/science/psi4/Makefile
@@ -1,100 +1,78 @@
 PORTNAME=	psi4
 DISTVERSIONPREFIX=	v
-DISTVERSION=	1.8
+DISTVERSION=	1.8.1
 CATEGORIES=	science # quantum-chemistry
 EXTRACT_ONLY=	${DISTNAME}${EXTRACT_SUFX}
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Open-source suite of ab initio quantum chemistry programs
 WWW=		https://psicode.org/
 
 LICENSE=	LGPL3
 LICENSE_FILE=	${WRKSRC}/COPYING
 
 PY_DEPENDS=	${PYTHON_PKGNAMEPREFIX}gau2grid>0:math/py-gau2grid@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}optking>0:science/py-optking@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}qcelemental>0:science/py-qcelemental@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}qcengine>0:science/py-qcengine@${PY_FLAVOR}
 BUILD_DEPENDS=	boost-libs>0:devel/boost-libs \
 		${LOCALBASE}/include/pybind11/pybind11.h:devel/pybind11 \
 		${PY_DEPENDS} \
 		libint2-psi4>0:science/libint2-psi4 # has to be this library
 LIB_DEPENDS=	libgg.so:math/gau2grid \
 		libxc.so:science/libxc
 RUN_DEPENDS=	${PY_DEPENDS} \
 		libint2-psi4>0:science/libint2-psi4
 TEST_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pytest>0:devel/py-pytest@${PY_FLAVOR}
 
 USES=		blaslapack:openblas cmake compiler:c++17-lang eigen:3 fortran localbase:ldflags python
 USE_GITHUB=	yes
 
 CMAKE_ARGS=	-DLibxc_DIR=${LOCALBASE} \
 		-DFREEBSD_PYTHON_VER=${PYTHON_VER} \
 		-DPython_EXECUTABLE=${PYTHON_CMD} \
 		-DPYMOD_INSTALL_LIBDIR=${PYTHONPREFIX_SITELIBDIR:S|${PREFIX}/lib||}
 CONFIGURE_ENV=	FREEBSD_PYTHON_VER=${PYTHON_VER}
 
 LDFLAGS+=	-lexecinfo # for backtrace_symbols
 
 TEST_ENV=	${MAKE_ENV} \
 		PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}:${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/psi4/tests \
 		PSIDATADIR=${STAGEDIR}${DATADIR} \
 		PSIPATH=${STAGEDIR}${DATADIR}/basis
 
 BINARY_ALIAS=	python=${PYTHON_CMD} # only for tests
 
 OPTIONS_DEFINE=	NATIVE
 
 NATIVE_CMAKE_BOOL=	ENABLE_XHOST
 
 post-patch:
 	# correct the default data dir
 	@${REINPLACE_CMD} \
 		-E 's|%%DATADIR%%|${DATADIR}|' \
 		${WRKSRC}/psi4/run_psi4.py
 
 do-install: # project fails to install itself into a stage directory due to a convoluted cmake code structure (DESTDIR isn't handled correctly)
 	# main
 	cd ${BUILD_WRKSRC}/stage && ${COPYTREE_SHARE} . ${STAGEDIR}${PREFIX}
 	${FIND} ${STAGEDIR}${PREFIX} -name "*.pyc" -delete
 	# samples
 	cd ${WRKSRC} && ${COPYTREE_SHARE} samples ${STAGEDIR}${DATADIR}
 	${FIND} ${STAGEDIR}${PREFIX} -name "example_psi4rc_file" -delete
 	# delete empty directories
 	${FIND} ${STAGEDIR} -type d -empty -delete
 	# set executable flag
 	${CHMOD} +x ${STAGEDIR}${PREFIX}/bin/psi4
 	# correct version number
 	@${REINPLACE_CMD} -i '' -e "s|__version__ = 'undefined'|__version__ = '${DISTVERSION}'|" \
 		${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/psi4/metadata.py
 	@${REINPLACE_CMD} -i '' -e "s|__version_long = 'undefined+11'|__version_long = '${DISTVERSION}'|" \
 		${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/psi4/metadata.py
 
 	# psi4 sometimes fails to print its version: https://github.com/psi4/psi4/issues/2831
 
-do-test: # tests are generally broken, but virtually all individual tests pass separately
-	# based on https://psicode.org/psi4manual/master/build_planning.html#faq-minutetests
-	#@cd ${WRKSRC}/tests && ${SETENV} ${TEST_ENV} pytest # pytest-based tests fail, see https://github.com/psi4/psi4/issues/2802 https://github.com/psi4/psi4/issues/2830
-
-	# samples as tests, this also fails down the line: https://github.com/psi4/psi4/issues/2803
-	#@cd ${WRKSRC} && ( \
-	#	for f in $$(${FIND} samples/cc24 -name test.in | ${XARGS} dirname); do \
-	#		echo "===> runing test in $$f"; \
-	#		(cd $$f && ${SETENV} ${TEST_ENV} ${STAGEDIR}${PREFIX}/bin/psi4 test.in) \
-	#	done \
-	#)
-
-	# api tests
+do-test:
 	@cd ${WRKSRC}/tests/pytests && ${SETENV} ${TEST_ENV} pytest
 
-	# cli tests
-	#@cd ${WRKSRC}/tests && ( \
-	#	for f in $$(${FIND} . -name input.dat | ${XARGS} dirname); do \
-	#		echo "===> runing input.dat $$f"; \
-	#		(cd $$f && ${SETENV} ${TEST_ENV} ${STAGEDIR}${PREFIX}/bin/psi4 input.dat) \
-	#	done \
-	#)
-
-# QCEngine fails while running some psi4 tests: https://github.com/MolSSI/QCEngine/issues/404
-
 .include <bsd.port.mk>
diff --git a/science/psi4/distinfo b/science/psi4/distinfo
index 0e8ccb414997..b76aabd051d6 100644
--- a/science/psi4/distinfo
+++ b/science/psi4/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1684424227
-SHA256 (psi4-psi4-v1.8_GH0.tar.gz) = 0e7a9ff4a93b2f405c4f82817fbbb6e55f3451cd16faa00ac2f773c50e4108cc
-SIZE (psi4-psi4-v1.8_GH0.tar.gz) = 45064462
+TIMESTAMP = 1689307382
+SHA256 (psi4-psi4-v1.8.1_GH0.tar.gz) = f1431a68fd67ae8c31fdb3a8c135061d148246b9687c80decdc1b7ad917fe80b
+SIZE (psi4-psi4-v1.8.1_GH0.tar.gz) = 45068690