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diff --git a/science/multicharge/Makefile b/science/multicharge/Makefile
--- a/science/multicharge/Makefile
+++ b/science/multicharge/Makefile
@@ -1,12 +1,11 @@
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= ${WRKSRC}/LICENSE
@@ -16,14 +15,14 @@
libopenblas.so:math/openblas
USES= cmake:testing fortran
-USE_LDCONFIG= yes
-
USE_GITHUB= yes
GH_ACCOUNT= grimme-lab
+USE_LDCONFIG= yes
CMAKE_ON= BUILD_SHARED_LIBS
post-patch: # see https://github.com/toml-f/toml-f/issues/51
- @${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
--- 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
--- 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
--- a/science/multicharge/pkg-plist
+++ b/science/multicharge/pkg-plist
@@ -2,12 +2,9 @@
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
@@ -24,5 +21,5 @@
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

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