diff --git a/science/packmol/Makefile b/science/packmol/Makefile
index fcfdec1514d4..d09146e5483f 100644
--- a/science/packmol/Makefile
+++ b/science/packmol/Makefile
@@ -1,20 +1,20 @@
 PORTNAME=	packmol
 DISTVERSIONPREFIX=	v
-DISTVERSION=	20.16.1
+DISTVERSION=	21.0.0
 CATEGORIES=	science
 
 MAINTAINER=	eduardo@FreeBSD.org
 COMMENT=	Creates Initial Configurations for Molecular Dynamics Simulations
 WWW=		https://m3g.github.io/packmol/ \
 		https://github.com/m3g/packmol/
 
 LICENSE=	MIT
 LICENSE_FILE=	${WRKSRC}/LICENSE
 
 USES=		cmake:noninja fortran
 USE_GITHUB=	yes
 GH_ACCOUNT=	m3g
 
 PLIST_FILES=	bin/packmol
 
 .include <bsd.port.mk>
diff --git a/science/packmol/distinfo b/science/packmol/distinfo
index 50fe9ba9aeec..400acf000fb5 100644
--- a/science/packmol/distinfo
+++ b/science/packmol/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1742585059
-SHA256 (m3g-packmol-v20.16.1_GH0.tar.gz) = 2984c57f3729ac9c2659a3ce88a4420f2fb5f422fec2b49a081bf0ac5474245c
-SIZE (m3g-packmol-v20.16.1_GH0.tar.gz) = 631772
+TIMESTAMP = 1743193598
+SHA256 (m3g-packmol-v21.0.0_GH0.tar.gz) = 5c751ec7f4e6960837c3579237d36449d1b37cfa240fb9590f74f558dc1fe155
+SIZE (m3g-packmol-v21.0.0_GH0.tar.gz) = 630505