diff --git a/science/simple-dftd3/Makefile b/science/simple-dftd3/Makefile
index 843579f49f3f..c942b7c01fc5 100644
--- a/science/simple-dftd3/Makefile
+++ b/science/simple-dftd3/Makefile
@@ -1,32 +1,33 @@
 PORTNAME=	simple-dftd3
 DISTVERSIONPREFIX=	v
-DISTVERSION=	1.1.1
-PORTREVISION=	2
+DISTVERSION=	1.3.1
 CATEGORIES=	science # chemistry
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Reimplementation of the DFT-D3 program
-WWW=		https://github.com/awvwgk/simple-dftd3
+WWW=		https://github.com/dftd3/simple-dftd3
 
 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 \
 		libopenblas.so:math/openblas \
 		libtoml-f.so:textproc/toml-f
 
 USES=		cmake:testing fortran
 USE_LDCONFIG=	yes
 
 USE_GITHUB=	yes
 GH_ACCOUNT=	dftd3
 
 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 1.3.1: 100% tests passed, 0 tests failed out of 7
+
 .include <bsd.port.mk>
diff --git a/science/simple-dftd3/distinfo b/science/simple-dftd3/distinfo
index 5d7c1e76c20a..c9bb745b5335 100644
--- a/science/simple-dftd3/distinfo
+++ b/science/simple-dftd3/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1726894289
-SHA256 (dftd3-simple-dftd3-v1.1.1_GH0.tar.gz) = fde5e1bdac41c38692bfdb6abcad66fb9ccfe6e990a8d4cf54f44e7188d49b5a
-SIZE (dftd3-simple-dftd3-v1.1.1_GH0.tar.gz) = 605906
+TIMESTAMP = 1777314928
+SHA256 (dftd3-simple-dftd3-v1.3.1_GH0.tar.gz) = 1a49cf2140e1d2e6f954a711b02b7b78e31595480ffa2393d9fa34ab9ea1cfef
+SIZE (dftd3-simple-dftd3-v1.3.1_GH0.tar.gz) = 670931
diff --git a/science/simple-dftd3/pkg-plist b/science/simple-dftd3/pkg-plist
index d950e9697946..a97f0540941c 100644
--- a/science/simple-dftd3/pkg-plist
+++ b/science/simple-dftd3/pkg-plist
@@ -1,36 +1,39 @@
 bin/s-dftd3
 include/dftd3.h
 include/s-dftd3.h
 include/s-dftd3/dftd3.mod
 include/s-dftd3/dftd3_api.mod
+include/s-dftd3/dftd3_citation.mod
 include/s-dftd3/dftd3_cutoff.mod
 include/s-dftd3/dftd3_damping.mod
 include/s-dftd3/dftd3_damping_atm.mod
+include/s-dftd3/dftd3_damping_cso.mod
 include/s-dftd3/dftd3_damping_mzero.mod
 include/s-dftd3/dftd3_damping_optimizedpower.mod
 include/s-dftd3/dftd3_damping_rational.mod
 include/s-dftd3/dftd3_damping_zero.mod
 include/s-dftd3/dftd3_data.mod
-include/s-dftd3/dftd3_data_covrad.mod
 include/s-dftd3/dftd3_data_r4r2.mod
 include/s-dftd3/dftd3_data_vdwrad.mod
 include/s-dftd3/dftd3_disp.mod
+include/s-dftd3/dftd3_gcp.mod
+include/s-dftd3/dftd3_gcp_param.mod
 include/s-dftd3/dftd3_model.mod
 include/s-dftd3/dftd3_ncoord.mod
 include/s-dftd3/dftd3_output.mod
 include/s-dftd3/dftd3_param.mod
 include/s-dftd3/dftd3_reference.mod
 include/s-dftd3/dftd3_utils.mod
 include/s-dftd3/dftd3_version.mod
 lib/cmake/s-dftd3/Findmctc-lib.cmake
 lib/cmake/s-dftd3/Findmstore.cmake
 lib/cmake/s-dftd3/Findtoml-f.cmake
 lib/cmake/s-dftd3/s-dftd3-config-version.cmake
 lib/cmake/s-dftd3/s-dftd3-config.cmake
 lib/cmake/s-dftd3/s-dftd3-targets-%%CMAKE_BUILD_TYPE%%.cmake
 lib/cmake/s-dftd3/s-dftd3-targets.cmake
 lib/cmake/s-dftd3/s-dftd3-utils.cmake
 lib/libs-dftd3.so
 lib/libs-dftd3.so.1
-lib/libs-dftd3.so.1.1.1
+lib/libs-dftd3.so.1.3.1
 libdata/pkgconfig/s-dftd3.pc