diff --git a/science/py-moltemplate/Makefile b/science/py-moltemplate/Makefile
index ec87e5eced96..94b0c75317d3 100644
--- a/science/py-moltemplate/Makefile
+++ b/science/py-moltemplate/Makefile
@@ -1,43 +1,42 @@
 PORTNAME=	moltemplate
 DISTVERSIONPREFIX=	v
-DISTVERSION=	2.20.17
-PORTREVISION=	1
+DISTVERSION=	2.20.20
 CATEGORIES=	science python
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Tool to prepare simulations of molecules, complex molecular assemblies
 WWW=		https://www.moltemplate.org/
 
 LICENSE=	MIT
+LICENSE_FILE=	${WRKSRC}/LICENSE.md
 
 BUILD_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pytest-runner>0:devel/py-pytest-runner@${PY_FLAVOR}
 RUN_DEPENDS=	${PYNUMPY} \
 		bash:shells/bash
 TEST_DEPENDS=	shunit2>0:devel/shunit2
 
 USES=		python:3.6+ shebangfix
 USE_PYTHON=	distutils concurrent autoplist
 
 USE_GITHUB=	yes
 GH_ACCOUNT=	jewettaij
 
 SHEBANG_FILES=	moltemplate/scripts/molc.sh #shunit2/shunit2
 
 NO_ARCH=	yes
 
 BINARY_ALIAS=	python3=${PYTHON_CMD}
 
 TEST_ENV=	${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} PATH=${STAGEDIR}${LOCALBASE}/bin:${PATH}
 
 do-test: # testsuite instructions: https://github.com/jewettaij/moltemplate/issues/65#issuecomment-1022740972
-	# 1 test fails, see https://github.com/jewettaij/moltemplate/issues/86
 	@cd ${WRKSRC} && \
 		([ -e shunit2 ] || (${MKDIR} tests/shunit2 && ${RM} tests/shunit2/shunit2 && ${LN} -s ${LOCALBASE}/bin/shunit2 tests/shunit2/shunit2)) && \
 		${SETENV} ${TEST_ENV} bash tests/test_read_coords_pdb.sh && \
 		${SETENV} ${TEST_ENV} bash tests/test_ltemplify.sh && \
 		${SETENV} ${TEST_ENV} bash tests/test_oplsaa.sh && \
 		${SETENV} ${TEST_ENV} bash tests/test_compass.sh && \
 		${SETENV} ${TEST_ENV} python3 tests/test_genpoly_lt.py
 
 .include <bsd.port.mk>
diff --git a/science/py-moltemplate/distinfo b/science/py-moltemplate/distinfo
index 90b3131d8348..ed401cb20bf0 100644
--- a/science/py-moltemplate/distinfo
+++ b/science/py-moltemplate/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1670184570
-SHA256 (jewettaij-moltemplate-v2.20.17_GH0.tar.gz) = 60bd4b035891a58e945b6a1c88c4cd38dcc1e442da527f0ee80168b8c9cc55f9
-SIZE (jewettaij-moltemplate-v2.20.17_GH0.tar.gz) = 8551345
+TIMESTAMP = 1682874289
+SHA256 (jewettaij-moltemplate-v2.20.20_GH0.tar.gz) = c8e34986fbb1cd7b9fffa4eaafe052a243338fa83c81462aaece6e2d0c32f46d
+SIZE (jewettaij-moltemplate-v2.20.20_GH0.tar.gz) = 8554058