diff --git a/science/dftd4/Makefile b/science/dftd4/Makefile
index 1741fef16c51..e07347700c95 100644
--- a/science/dftd4/Makefile
+++ b/science/dftd4/Makefile
@@ -1,32 +1,32 @@
 PORTNAME=	dftd4
 DISTVERSIONPREFIX=	v
-DISTVERSION=	4.1.1
+DISTVERSION=	4.2.0
 CATEGORIES=	science # chemistry
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Atomic-charge dependent london dispersion correction computation
 WWW=		https://dftd4.readthedocs.io/en/latest/ \
 		https://github.com/dftd4/dftd4
 
 LICENSE=	GPLv3
 LICENSE_FILE=	${WRKSRC}/COPYING
 
 BROKEN_aarch64=	cannot open module file 'ieee_arithmetic.mod' for reading at (1): No such file or directory
 
 BUILD_DEPENDS=	mstore>0:science/mstore
 LIB_DEPENDS=	libmctc-lib.so:science/mctc-lib \
 		libmulticharge.so:science/multicharge \
 		libopenblas.so:math/openblas
 
 USES=		cmake:testing fortran
 USE_GITHUB=	yes
 USE_LDCONFIG=	yes
 
 CMAKE_ON=	BUILD_SHARED_LIBS
 
 post-patch: # see https://github.com/toml-f/toml-f/issues/51
 	@${REINPLACE_CMD} -e 's|$${CMAKE_Fortran_COMPILER_ID}-$${CMAKE_Fortran_COMPILER_VERSION}||' ${WRKSRC}/config/CMakeLists.txt
 
-# tests as of 4.1.0: 100% tests passed, 0 tests failed out of 6
+# tests as of 4.2.0: 100% tests passed, 0 tests failed out of 6
 
 .include <bsd.port.mk>
diff --git a/science/dftd4/distinfo b/science/dftd4/distinfo
index d278527d4992..53eb47121340 100644
--- a/science/dftd4/distinfo
+++ b/science/dftd4/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1778013998
-SHA256 (dftd4-dftd4-v4.1.1_GH0.tar.gz) = c41404350f18ddcf23343f7c7a3786cd2a8b8e242a9673d87b1236048f1311a5
-SIZE (dftd4-dftd4-v4.1.1_GH0.tar.gz) = 481352
+TIMESTAMP = 1778140217
+SHA256 (dftd4-dftd4-v4.2.0_GH0.tar.gz) = e1255317b33af5326faf605e6135d0e0b15935a36304b8d59b7142ca15110959
+SIZE (dftd4-dftd4-v4.2.0_GH0.tar.gz) = 484258
diff --git a/science/dftd4/pkg-plist b/science/dftd4/pkg-plist
index b16991c4b9cb..6b7113801c2d 100644
--- a/science/dftd4/pkg-plist
+++ b/science/dftd4/pkg-plist
@@ -1,42 +1,42 @@
 bin/dftd4
 include/dftd4.h
 include/dftd4/dftd4.mod
 include/dftd4/dftd4_api.mod
 include/dftd4/dftd4_blas.mod
 include/dftd4/dftd4_cutoff.mod
 include/dftd4/dftd4_damping.mod
 include/dftd4/dftd4_damping_atm.mod
 include/dftd4/dftd4_damping_rational.mod
 include/dftd4/dftd4_data.mod
 include/dftd4/dftd4_data_covrad.mod
 include/dftd4/dftd4_data_en.mod
 include/dftd4/dftd4_data_hardness.mod
 include/dftd4/dftd4_data_r4r2.mod
 include/dftd4/dftd4_data_wfpair.mod
 include/dftd4/dftd4_data_zeff.mod
 include/dftd4/dftd4_disp.mod
 include/dftd4/dftd4_model.mod
 include/dftd4/dftd4_model_d4.mod
 include/dftd4/dftd4_model_d4s.mod
 include/dftd4/dftd4_model_type.mod
 include/dftd4/dftd4_model_utils.mod
 include/dftd4/dftd4_ncoord.mod
 include/dftd4/dftd4_numdiff.mod
 include/dftd4/dftd4_output.mod
 include/dftd4/dftd4_param.mod
 include/dftd4/dftd4_reference.mod
 include/dftd4/dftd4_utils.mod
 include/dftd4/dftd4_version.mod
 lib/cmake/dftd4/Findcustom-blas.cmake
 lib/cmake/dftd4/Findmctc-lib.cmake
 lib/cmake/dftd4/Findmstore.cmake
 lib/cmake/dftd4/Findmulticharge.cmake
 lib/cmake/dftd4/dftd4-config-version.cmake
 lib/cmake/dftd4/dftd4-config.cmake
 lib/cmake/dftd4/dftd4-targets-%%CMAKE_BUILD_TYPE%%.cmake
 lib/cmake/dftd4/dftd4-targets.cmake
 lib/cmake/dftd4/dftd4-utils.cmake
 lib/libdftd4.so
 lib/libdftd4.so.4
-lib/libdftd4.so.4.1.1
+lib/libdftd4.so.4.2.0
 libdata/pkgconfig/dftd4.pc
diff --git a/science/py-dftd4/Makefile b/science/py-dftd4/Makefile
index 500a4371f4b1..e209ab5bb292 100644
--- a/science/py-dftd4/Makefile
+++ b/science/py-dftd4/Makefile
@@ -1,28 +1,28 @@
 PORTNAME=	dftd4
-DISTVERSION=	4.1.1
+DISTVERSION=	4.2.0
 CATEGORIES=	science python # chemistry
 MASTER_SITES=	PYPI
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Python API of the DFT-D4 project
 WWW=		https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4/
 
 LICENSE=	GPLv3
 LICENSE_FILE=	${WRKSRC}/COPYING
 
 BUILD_DEPENDS=	${PYTHON_PKGNAMEPREFIX}cffi>0:devel/py-cffi@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}meson-python>0:devel/meson-python@${PY_FLAVOR} \
 		${PY_SETUPTOOLS} \
 		${PYTHON_PKGNAMEPREFIX}wheel>0:devel/py-wheel@${PY_FLAVOR}
 LIB_DEPENDS=	libdftd4.so:science/dftd4
 RUN_DEPENDS=	${PYTHON_PKGNAMEPREFIX}cffi>0:devel/py-cffi@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}numpy>=1.16:math/py-numpy@${PY_FLAVOR}
 
 USES=		pkgconfig python
 USE_PYTHON=	pep517 autoplist
 
 post-install:
 	@${STRIP_CMD} ${STAGEDIR}${PYTHON_SITELIBDIR}/dftd4/_libdftd4${PYTHON_TAG}.so
 
 .include <bsd.port.mk>
diff --git a/science/py-dftd4/distinfo b/science/py-dftd4/distinfo
index 363d0ba24a97..ef1589840874 100644
--- a/science/py-dftd4/distinfo
+++ b/science/py-dftd4/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1778014106
-SHA256 (dftd4-4.1.1.tar.gz) = a5b99d6da814dfefa8fa14373e8361f64838309b7f374690e0a18201376490bf
-SIZE (dftd4-4.1.1.tar.gz) = 666027
+TIMESTAMP = 1778140349
+SHA256 (dftd4-4.2.0.tar.gz) = 281621d25ec5a6b0da284a0c97b545af514a01ee66529332af4ed64f8b543a64
+SIZE (dftd4-4.2.0.tar.gz) = 669133