diff --git a/science/py-moltemplate/Makefile b/science/py-moltemplate/Makefile
index 7c268844aa6d..4e8e5744f7b5 100644
--- a/science/py-moltemplate/Makefile
+++ b/science/py-moltemplate/Makefile
@@ -1,23 +1,26 @@
 PORTNAME=	moltemplate
-DISTVERSION=	2.19.14
+DISTVERSION=	2.20.1
 CATEGORIES=	science python
 MASTER_SITES=	CHEESESHOP
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Tool to prepare simulations of molecules, complex molecular assemblies
 
 LICENSE=	MIT
 
 BUILD_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pytest-runner>0:devel/py-pytest-runner@${PY_FLAVOR}
 RUN_DEPENDS=	${PYNUMPY} \
 		bash:shells/bash
 TEST_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pytest>0:devel/py-pytest@${PY_FLAVOR}
 
 USES=		python:3.6+ shebangfix
 SHEBANG_FILES=	moltemplate/scripts/molc.sh
 USE_PYTHON=	distutils concurrent autoplist
 
 NO_ARCH=	yes
 
+do-test: # testsuite fails to run: https://github.com/jewettaij/moltemplate/issues/65
+	@cd ${WRKSRC} && pytest
+
 .include <bsd.port.mk>
diff --git a/science/py-moltemplate/distinfo b/science/py-moltemplate/distinfo
index f30c2f48e775..31333f96aeb4 100644
--- a/science/py-moltemplate/distinfo
+++ b/science/py-moltemplate/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1640837554
-SHA256 (moltemplate-2.19.14.tar.gz) = 30d7b0382bdc320264866dd7a2692d266cead6b7f80c04e968143b2a34f19154
-SIZE (moltemplate-2.19.14.tar.gz) = 278379
+TIMESTAMP = 1643087324
+SHA256 (moltemplate-2.20.1.tar.gz) = 7afd49a35716ea6755fb0af757c984743e7dccba47cff380580851c76fcf72f9
+SIZE (moltemplate-2.20.1.tar.gz) = 279692