diff --git a/science/py-pyscf/Makefile b/science/py-pyscf/Makefile
index 3642b355c884..be1d2b8c7d7f 100644
--- a/science/py-pyscf/Makefile
+++ b/science/py-pyscf/Makefile
@@ -1,50 +1,49 @@
 PORTNAME=	pyscf
 DISTVERSIONPREFIX=	v
-DISTVERSION=	2.8.0
-PORTREVISION=	3
+DISTVERSION=	2.12.1
 CATEGORIES=	science python
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Python module for quantum chemistry
 WWW=		https://pyscf.org/ \
 		https://github.com/pyscf/pyscf
 
 LICENSE=	BSD2CLAUSE
 LICENSE_FILE=	${WRKSRC}/LICENSE
 
 PY_DEPENDS=	${PYTHON_PKGNAMEPREFIX}numpy1>=1.16:math/py-numpy1@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}h5py>=2.7:science/py-h5py@${PY_FLAVOR}
 BUILD_DEPENDS=	${PY_DEPENDS} \
 		${PYTHON_PKGNAMEPREFIX}wheel>0:devel/py-wheel@${PY_FLAVOR} \
 		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
 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
 
 # tests fail to run: https://github.com/pyscf/pyscf/issues/2601
 
 .include <bsd.port.mk>
diff --git a/science/py-pyscf/distinfo b/science/py-pyscf/distinfo
index 651ba426e84e..4d4ac3d4d074 100644
--- a/science/py-pyscf/distinfo
+++ b/science/py-pyscf/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1736575693
-SHA256 (pyscf-pyscf-v2.8.0_GH0.tar.gz) = f53ea72b25f64cc7a3345b6f1b6e3a30c1cbf550252324731a2192dafe891149
-SIZE (pyscf-pyscf-v2.8.0_GH0.tar.gz) = 11349673
+TIMESTAMP = 1776702264
+SHA256 (pyscf-pyscf-v2.12.1_GH0.tar.gz) = 4c07315f3ca64e368f2228f22c3eb7d603e1317c2c4d73fc6637bb023f849933
+SIZE (pyscf-pyscf-v2.12.1_GH0.tar.gz) = 11898369