diff --git a/science/libcint/Makefile b/science/libcint/Makefile
index 14c1dadf49f9..71b2d2ad2f0e 100644
--- a/science/libcint/Makefile
+++ b/science/libcint/Makefile
@@ -1,40 +1,40 @@
 PORTNAME=	libcint
 DISTVERSIONPREFIX=	v
-DISTVERSION=	4.4.6
+DISTVERSION=	5.1.0
 CATEGORIES=	science
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	General GTO integrals for quantum chemistry
 
 LICENSE=	BSD2CLAUSE
 LICENSE_FILE=	${WRKSRC}/LICENSE
 
 LIB_DEPENDS=	libopenblas.so:math/openblas
 TEST_DEPENDS=	${PYNUMPY} \
 		${PYTHON_PKGNAMEPREFIX}pyscf>0:science/py-pyscf@${PY_FLAVOR}
 
 USES=		cmake blaslapack:openblas python:test
 USE_LDCONFIG=	yes
 
 USE_GITHUB=	yes
 GH_ACCOUNT=	sunqm
 
 PLIST_FILES=	include/cint.h \
 		include/cint_funcs.h \
 		lib/libcint.so \
 		lib/libcint.so.${PORTVERSION:R:R} \
 		lib/libcint.so.${PORTVERSION}
 
 post-patch:
 	@${REINPLACE_CMD} -e "s|numpy\\.ctypeslib\\.load_library('libcint', .*$$|numpy.ctypeslib.load_library('libcint', '${BUILD_WRKSRC}')|" \
 		${WRKSRC}/testsuite/test_cint4c1e.py \
 		${WRKSRC}/testsuite/test_cint.py \
 		${WRKSRC}/testsuite/test_3c2e.py
 
 do-test: # needs science/py-pyscf, pending https://github.com/pyscf/pyscf/issues/935
 	@cd ${BUILD_WRKSRC} && \
 		${SETENV} ${CONFIGURE_ENV} ${CMAKE_BIN} ${CMAKE_ARGS} -DENABLE_TEST:BOOL=ON ${CMAKE_SOURCE_PATH} && \
 		${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} ${ALL_TARGET} && \
 		${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} test
 
 .include <bsd.port.mk>
diff --git a/science/libcint/distinfo b/science/libcint/distinfo
index 1e65c6fccbf7..fa5a5413ffea 100644
--- a/science/libcint/distinfo
+++ b/science/libcint/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1634421971
-SHA256 (sunqm-libcint-v4.4.6_GH0.tar.gz) = 215e186e35f272f36e527f6da8fe3ab3f53d4ceb3afbdca75755e6ebd5b60719
-SIZE (sunqm-libcint-v4.4.6_GH0.tar.gz) = 43008937
+TIMESTAMP = 1640537980
+SHA256 (sunqm-libcint-v5.1.0_GH0.tar.gz) = 37aaf9134e3160a7d770e703f7de54c032d55afe8abff64b9793040ae9e14272
+SIZE (sunqm-libcint-v5.1.0_GH0.tar.gz) = 43004110
diff --git a/science/py-pyscf/Makefile b/science/py-pyscf/Makefile
index 5ac8fbd4de46..041b6ff8d54e 100644
--- a/science/py-pyscf/Makefile
+++ b/science/py-pyscf/Makefile
@@ -1,39 +1,43 @@
 PORTNAME=	pyscf
 DISTVERSIONPREFIX=	v
 DISTVERSION=	2.0.1
+PORTREVISION=	1
 CATEGORIES=	science python
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
 
+PATCH_SITES=	https://github.com/${GH_ACCOUNT}/${GH_PROJECT}/commit/
+PATCHFILES=	6fece0e44feef43dcb879f3c2e6a2d84a26d518f.patch:-p1 # https://github.com/pyscf/pyscf/pull/1145: Update to libcint v5.0
+
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Python module for quantum chemistry
 
 LICENSE=	BSD2CLAUSE
 LICENSE_FILE=	${WRKSRC}/LICENSE
 
 PY_DEPENDS=	${PYNUMPY} \
 		${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}h5py>0:science/py-h5py@${PY_FLAVOR}
 BUILD_DEPENDS=	${PY_DEPENDS} \
 		cmake:devel/cmake \
 		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
 USE_GITHUB=	yes
 
 POST_PLIST=	fix-plist
 
 post-install:
 	@${STRIP_CMD} ${STAGEDIR}${PYTHON_SITELIBDIR}/pyscf/lib/lib*.so
 
 fix-plist:
 	@${REINPLACE_CMD} -e 's|.*pyscf_lib_placeholder.so$$||' ${TMPPLIST}
 
 do-test: install
 	@${PYTHON_CMD} ${FILESDIR}/test.py
 
 .include <bsd.port.mk>
diff --git a/science/py-pyscf/distinfo b/science/py-pyscf/distinfo
index 6e7bcc42be9f..3f1e69372191 100644
--- a/science/py-pyscf/distinfo
+++ b/science/py-pyscf/distinfo
@@ -1,3 +1,5 @@
-TIMESTAMP = 1637098413
+TIMESTAMP = 1640549794
 SHA256 (pyscf-pyscf-v2.0.1_GH0.tar.gz) = 6a152860787351aae52dc1ef2399bd9564fa314dca070312cfc0f2c3fc7412cf
 SIZE (pyscf-pyscf-v2.0.1_GH0.tar.gz) = 9641485
+SHA256 (6fece0e44feef43dcb879f3c2e6a2d84a26d518f.patch) = d3195bae8a3d1bcf25fa474762a9f2dc163a936840ef1ed9406c78b04e1f6efc
+SIZE (6fece0e44feef43dcb879f3c2e6a2d84a26d518f.patch) = 6038