diff --git a/science/multicharge/Makefile b/science/multicharge/Makefile
index 13da7abc8c2c..db7c0f26fa03 100644
--- a/science/multicharge/Makefile
+++ b/science/multicharge/Makefile
@@ -1,29 +1,28 @@
 PORTNAME=	multicharge
 DISTVERSIONPREFIX=	v
-DISTVERSION=	0.3.0
-PORTREVISION=	1
+DISTVERSION=	0.4.0
 CATEGORIES=	science # chemistry
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Electronegativity equilibration model for atomic partial charges
-WWW=		https://github.com/grimme-lab/mstore
+WWW=		https://github.com/grimme-lab/multicharge/
 
 LICENSE=	APACHE20
 LICENSE_FILE=	${WRKSRC}/LICENSE
 
 BUILD_DEPENDS=	mstore>0:science/mstore
 LIB_DEPENDS=	libmctc-lib.so:science/mctc-lib \
 		libopenblas.so:math/openblas
 
 USES=		cmake:testing fortran
-USE_LDCONFIG=	yes
-
 USE_GITHUB=	yes
 GH_ACCOUNT=	grimme-lab
+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}||' ${WRKSRC}/config/CMakeLists.txt
+	@${REINPLACE_CMD} -e 's|$${CMAKE_Fortran_COMPILER_ID}-$${CMAKE_Fortran_COMPILER_VERSION}||' \
+		${WRKSRC}/config/CMakeLists.txt
 
 .include <bsd.port.mk>
diff --git a/science/multicharge/distinfo b/science/multicharge/distinfo
index aa8b280dd362..3d4353fa8267 100644
--- a/science/multicharge/distinfo
+++ b/science/multicharge/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1725080939
-SHA256 (grimme-lab-multicharge-v0.3.0_GH0.tar.gz) = 2fcc1f80871f404f005e9db458ffaec95bb28a19516a0245278cd3175b63a6b2
-SIZE (grimme-lab-multicharge-v0.3.0_GH0.tar.gz) = 45784
+TIMESTAMP = 1762045153
+SHA256 (grimme-lab-multicharge-v0.4.0_GH0.tar.gz) = 7dadf50db5449bfcd8b08cfda5e89021242a7d58fa28b28865ef9421e59227fb
+SIZE (grimme-lab-multicharge-v0.4.0_GH0.tar.gz) = 42763
diff --git a/science/multicharge/pkg-descr b/science/multicharge/pkg-descr
index 253281c855d0..0c318a1fe4b5 100644
--- a/science/multicharge/pkg-descr
+++ b/science/multicharge/pkg-descr
@@ -1,4 +1 @@
-mstore is molecular structure store for testing.
-
-It allows to store molecular structures in computational chemistry
-software.
+Electronegativity equilibration models for atomic partial charges.
diff --git a/science/multicharge/pkg-plist b/science/multicharge/pkg-plist
index 9cc7a9af065c..4288d56145a6 100644
--- a/science/multicharge/pkg-plist
+++ b/science/multicharge/pkg-plist
@@ -1,28 +1,25 @@
 bin/multicharge
 include/multicharge/multicharge.mod
 include/multicharge/multicharge_blas.mod
 include/multicharge/multicharge_cutoff.mod
-include/multicharge/multicharge_data.mod
-include/multicharge/multicharge_data_covrad.mod
 include/multicharge/multicharge_ewald.mod
 include/multicharge/multicharge_lapack.mod
 include/multicharge/multicharge_model.mod
-include/multicharge/multicharge_ncoord.mod
 include/multicharge/multicharge_output.mod
 include/multicharge/multicharge_param.mod
 include/multicharge/multicharge_param_eeq2019.mod
 include/multicharge/multicharge_version.mod
 include/multicharge/multicharge_wignerseitz.mod
 lib/cmake/multicharge/Findcustom-blas.cmake
 lib/cmake/multicharge/Findcustom-lapack.cmake
 lib/cmake/multicharge/Findmctc-lib.cmake
 lib/cmake/multicharge/Findmstore.cmake
 lib/cmake/multicharge/multicharge-config-version.cmake
 lib/cmake/multicharge/multicharge-config.cmake
 lib/cmake/multicharge/multicharge-targets-%%CMAKE_BUILD_TYPE%%.cmake
 lib/cmake/multicharge/multicharge-targets.cmake
 lib/cmake/multicharge/multicharge-utils.cmake
 lib/libmulticharge.so
 lib/libmulticharge.so.0
-lib/libmulticharge.so.0.3.0
+lib/libmulticharge.so.0.4.0
 libdata/pkgconfig/multicharge.pc