diff --git a/science/py-pyscf/Makefile b/science/py-pyscf/Makefile
index fa7bf685f87c..c0d304c06d6c 100644
--- a/science/py-pyscf/Makefile
+++ b/science/py-pyscf/Makefile
@@ -1,44 +1,45 @@
 PORTNAME=	pyscf
 DISTVERSIONPREFIX=	v
-DISTVERSION=	2.2.0
-PORTREVISION=	1
+DISTVERSION=	2.2.1
 CATEGORIES=	science python
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Python module for quantum chemistry
 WWW=		https://pyscf.org/
 
 LICENSE=	BSD2CLAUSE
 LICENSE_FILE=	${WRKSRC}/LICENSE
 
 PY_DEPENDS=	${PYNUMPY} \
 		${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}h5py>=2.7:science/py-h5py@${PY_FLAVOR}
 BUILD_DEPENDS=	${PY_DEPENDS} \
 		cmake:devel/cmake-core \
 		gmake:devel/gmake
 LIB_DEPENDS=	libcint.so:science/libcint \
 		libxc.so:science/libxc \
 		libxcfun.so:science/xcfun
 RUN_DEPENDS=	${PY_DEPENDS}
 
 USES=		fortran blaslapack:openblas compiler:c++11-lang python
 USE_PYTHON=	distutils autoplist pytest # 3818 warnings, 57 errors in tests, see https://github.com/pyscf/pyscf/issues/1536
 USE_GITHUB=	yes
 
 POST_PLIST=	fix-plist
 
 TEST_ENV=	${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}
+TEST_WRKSRC=	${WRKSRC}/pyscf
+TEST_ARGS=	-c ${WRKSRC}/setup.cfg
 
 post-install:
 	@${STRIP_CMD} ${STAGEDIR}${PYTHON_SITELIBDIR}/pyscf/lib/lib*.so
 
 fix-plist:
 	@${REINPLACE_CMD} -e 's|.*pyscf_lib_placeholder.so$$||' ${TMPPLIST}
 
 post-test:
 	@${ECHO} "==> simple test ..."
 	@${SETENV} ${TEST_ENV} ${PYTHON_CMD} ${FILESDIR}/test.py
 
 .include <bsd.port.mk>
diff --git a/science/py-pyscf/distinfo b/science/py-pyscf/distinfo
index 517392b307ea..2b1221cc3f45 100644
--- a/science/py-pyscf/distinfo
+++ b/science/py-pyscf/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1679117766
-SHA256 (pyscf-pyscf-v2.2.0_GH0.tar.gz) = c02deddbed7d1c8f175800eb6ce1bd445cf48c5399b7aefa1c2be3978ecaa023
-SIZE (pyscf-pyscf-v2.2.0_GH0.tar.gz) = 10955385
+TIMESTAMP = 1688266736
+SHA256 (pyscf-pyscf-v2.2.1_GH0.tar.gz) = 4730463080d75a77a66a445961324f84758e2a281ba4b9e8003d4db5f611cde3
+SIZE (pyscf-pyscf-v2.2.1_GH0.tar.gz) = 10980069