diff --git a/science/openmolcas/Makefile b/science/openmolcas/Makefile
index 84d6600f3d62..e1d2f945af47 100644
--- a/science/openmolcas/Makefile
+++ b/science/openmolcas/Makefile
@@ -1,51 +1,64 @@
 PORTNAME=	openmolcas
-DISTVERSION=	22.02
-PORTREVISION=	2
+DISTVERSION=	22.06
 CATEGORIES=	science # chemistry
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Quantum chemistry software package
 
 LICENSE=	LGPL21
 LICENSE_FILE=	${WRKSRC}/LICENSE
 
 BROKEN_i386=	build breaks: Symbol 'maxfilesize' at (1) has no IMPLICIT type; did you mean 'mxfile'?
 
-BUILD_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pyparsing>0:devel/py-pyparsing@${PY_FLAVOR}
+BUILD_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pyparsing>0:devel/py-pyparsing@${PY_FLAVOR} \
+		chemps2:science/chemps2
 LIB_DEPENDS=	libhdf5.so:science/hdf5 \
 		libsz.so:science/libaec \
 		libxc.so:science/libxc
 
-USES=		cmake fortran python shebangfix
+USES=		cmake:testing fortran python shebangfix
 USE_GCC=	yes # see https://gitlab.com/Molcas/OpenMolcas/-/issues/351
 
 USE_GITLAB=	yes
 GL_ACCOUNT=	Molcas
 GL_PROJECT=	OpenMolcas
-GL_COMMIT=	f8df69cf87b241a15ebc82d72a8f9a031a385dd4
+GL_COMMIT=	17238da5c339c41ddf14ceb88f139d57143d7a14
 
 USE_GITHUB=	nodefault
 GH_TUPLE=	Reference-LAPACK:lapack:aa631b4b:lapack/External/lapack \
+		ilyak:libefp:7d1ff5fd:libefp/External/efp \
+		mcodev31:libmsym:0c47befe:libmsym/External/libmsym \
 		libwfa:libwfa:bbe3392a:libwfa/External/libwfa
 
 SHEBANG_FILES=	sbin/help_doc sbin/help_func sbin/help_basis sbin/setup sbin/verify sbin/version
+SHEBANG_GLOB=	*.py
 
+CMAKE_ON=	CHEMPS2 EFPLIB MSYM # TODO GEN1INT - package doesn't install itself, WFA - breaks due to https://gitlab.com/conradsnicta/armadillo-code/-/issues/216
 CMAKE_ARGS=	-DEXTERNAL_LIBXC:STRING=${LOCALBASE} \
 		-DFREEBSD_PYTHON_VER:STRING=${PYTHON_VER}
-#CMAKE_ON=	# for EFPLIB, MSYM see https://gitlab.com/Molcas/OpenMolcas/-/issues/350, for WFA - hdf5 needs updating
 CMAKE_OFF=	BUILD_TESTING
 
 CMAKE_INSTALL_PREFIX=	${DATADIR} # installed into DATADIR because it doesn't respect UNIX file path conventions, see https://gitlab.com/Molcas/OpenMolcas/-/issues/352
 
 BINARY_ALIAS=	cpp=${CPP} # cpp is called from cmake scripts
+BINARY_ALIAS+=	python3=${PYTHON_CMD} # cpp is called from cmake scripts
+
+post-patch:
+	# fix python path
+	@${REINPLACE_CMD} -e "s|'/usr/bin/env python3'|'${PYTHON_CMD}'|" ${WRKSRC}/Tools/pymolcas/export.py
 
 post-install:
 	# remove unused static libraries, see https://gitlab.com/Molcas/OpenMolcas/-/issues/354
 	@${RM} -r ${STAGEDIR}${CMAKE_INSTALL_PREFIX}/lib
 	# remove unnecessary fines
 	@${RM} ${STAGEDIR}${CMAKE_INSTALL_PREFIX}/CONTRIBUTORS.md
 	@${RM} ${STAGEDIR}${CMAKE_INSTALL_PREFIX}/LICENSE
+	# remove empty include directory
+	@${RMDIR} ${STAGEDIR}${DATADIR}/include
 	# remove empty doc directory
 	@${RMDIR} ${STAGEDIR}${DATADIR}/doc
 
+post-test: # A total of 5 test(s) failed, with 3 critical failure(s), see https://gitlab.com/Molcas/OpenMolcas/-/issues/369
+	@cd ${BUILD_WRKSRC} && ${STAGEDIR}${DATADIR}/pymolcas verify
+
 .include <bsd.port.mk>
diff --git a/science/openmolcas/distinfo b/science/openmolcas/distinfo
index 962f32203d22..700d7e0c5174 100644
--- a/science/openmolcas/distinfo
+++ b/science/openmolcas/distinfo
@@ -1,7 +1,11 @@
-TIMESTAMP = 1653368495
+TIMESTAMP = 1658693647
 SHA256 (Reference-LAPACK-lapack-aa631b4b_GH0.tar.gz) = 04ddd43c8b1bed6447427e9dd2b4dd2ead7e2497d7a8fa5fea7f9b31f52117a2
 SIZE (Reference-LAPACK-lapack-aa631b4b_GH0.tar.gz) = 7631245
+SHA256 (ilyak-libefp-7d1ff5fd_GH0.tar.gz) = 147ba9713bba4f7587c349fb19ff372c4279f011a009d09bd00ec1ae89dba868
+SIZE (ilyak-libefp-7d1ff5fd_GH0.tar.gz) = 5614915
+SHA256 (mcodev31-libmsym-0c47befe_GH0.tar.gz) = 6a18fe4e5ff1595b86f30c96b68844951471b0333a2940cc0031feaf963a3dec
+SIZE (mcodev31-libmsym-0c47befe_GH0.tar.gz) = 88596
 SHA256 (libwfa-libwfa-bbe3392a_GH0.tar.gz) = c130488370ab0df228e532c80223ded3d23d80f04d405c2912588cfcfa05d121
 SIZE (libwfa-libwfa-bbe3392a_GH0.tar.gz) = 192935
-SHA256 (Molcas-OpenMolcas-f8df69cf87b241a15ebc82d72a8f9a031a385dd4_GL0.tar.gz) = 862ab4e5a76955e67af870c7c1b4344c250784299c5c0363c425a722671a892a
-SIZE (Molcas-OpenMolcas-f8df69cf87b241a15ebc82d72a8f9a031a385dd4_GL0.tar.gz) = 38439145
+SHA256 (Molcas-OpenMolcas-17238da5c339c41ddf14ceb88f139d57143d7a14_GL0.tar.gz) = e5d47d0624f88c5980a334aab9c8b353c679acbf1f5fb75d93277daf8dd3d18d
+SIZE (Molcas-OpenMolcas-17238da5c339c41ddf14ceb88f139d57143d7a14_GL0.tar.gz) = 38467330
diff --git a/science/openmolcas/files/patch-CMakeLists.txt b/science/openmolcas/files/patch-CMakeLists.txt
index 5fff45b0e5f2..f603a10feeb5 100644
--- a/science/openmolcas/files/patch-CMakeLists.txt
+++ b/science/openmolcas/files/patch-CMakeLists.txt
@@ -1,11 +1,22 @@
---- CMakeLists.txt.orig	2022-05-24 05:51:48 UTC
+--- CMakeLists.txt.orig	2022-06-07 08:43:34 UTC
 +++ CMakeLists.txt
 @@ -48,7 +48,7 @@ find_program (GIT "git")
  find_program (PERL "perl")
  mark_as_advanced (FORCE GIT PERL)
  
 -FIND_PACKAGE (Python COMPONENTS Interpreter)
 +FIND_PACKAGE (Python ${FREEBSD_PYTHON_VER} EXACT COMPONENTS Interpreter)
  
  ################################################################################
  #                                                                              #
+@@ -2375,6 +2375,10 @@ message ("Configuring runtime environment settings:")
+ cmake_host_system_information (RESULT host_mem QUERY TOTAL_PHYSICAL_MEMORY)
+ cmake_host_system_information (RESULT host_name QUERY HOSTNAME)
+ cmake_host_system_information (RESULT host_system QUERY OS_NAME)
++
++# workaround for https://gitlab.kitware.com/cmake/cmake/-/issues/23776
++execute_process(COMMAND sysctl -n hw.physmem OUTPUT_VARIABLE host_mem)
++math (EXPR host_mem "${host_mem}/1024/1024")
+ 
+ # memory/disk default sizes
+ #==========================
diff --git a/science/openmolcas/pkg-plist b/science/openmolcas/pkg-plist
index 3c439dfd8557..4e1f40919aca 100644
--- a/science/openmolcas/pkg-plist
+++ b/science/openmolcas/pkg-plist
@@ -1,214 +1,215 @@
 %%DATADIR%%/.molcashome
 %%DATADIR%%/.molcasversion
 %%DATADIR%%/basis_library/3-21G
 %%DATADIR%%/basis_library/4-31G
 %%DATADIR%%/basis_library/5-21G
 %%DATADIR%%/basis_library/6-311Gpp
 %%DATADIR%%/basis_library/6-31G
 %%DATADIR%%/basis_library/6-31Gpp
 %%DATADIR%%/basis_library/AHLRICHS_VDZ
 %%DATADIR%%/basis_library/AHLRICHS_VTZ
 %%DATADIR%%/basis_library/AIMP.README
 %%DATADIR%%/basis_library/ANO-DK3
 %%DATADIR%%/basis_library/ANO-L
 %%DATADIR%%/basis_library/ANO-ORCA
 %%DATADIR%%/basis_library/ANO-R
 %%DATADIR%%/basis_library/ANO-RCC
 %%DATADIR%%/basis_library/ANO-RCC.README
 %%DATADIR%%/basis_library/ANO-S
 %%DATADIR%%/basis_library/ANO-XS
 %%DATADIR%%/basis_library/AUG-CC-PV5Z
 %%DATADIR%%/basis_library/AUG-CC-PV6Z
 %%DATADIR%%/basis_library/AUG-CC-PVDZ
 %%DATADIR%%/basis_library/AUG-CC-PVQZ
 %%DATADIR%%/basis_library/AUG-CC-PVTZ
 %%DATADIR%%/basis_library/AUG-PC-0
 %%DATADIR%%/basis_library/AUG-PC-1
 %%DATADIR%%/basis_library/AUG-PC-2
 %%DATADIR%%/basis_library/AUG-PC-3
 %%DATADIR%%/basis_library/AUG-PC-4
 %%DATADIR%%/basis_library/CC-PV5Z
 %%DATADIR%%/basis_library/CC-PV5Z-DK
 %%DATADIR%%/basis_library/CC-PVDZ
 %%DATADIR%%/basis_library/CC-PVDZ-DK
 %%DATADIR%%/basis_library/CC-PVQZ
 %%DATADIR%%/basis_library/CC-PVQZ-DK
 %%DATADIR%%/basis_library/CC-PVTZ
 %%DATADIR%%/basis_library/CC-PVTZ-DK
 %%DATADIR%%/basis_library/CC-PWCV5Z-DK
 %%DATADIR%%/basis_library/CC-PWCVQZ-DK
 %%DATADIR%%/basis_library/CC-PWCVTZ-DK
 %%DATADIR%%/basis_library/CG-AIMP
 %%DATADIR%%/basis_library/DEF-SV-P
 %%DATADIR%%/basis_library/DEF-SVP
 %%DATADIR%%/basis_library/DEF-TZVP
 %%DATADIR%%/basis_library/DEF2-SVP
 %%DATADIR%%/basis_library/DEF2-TZVP
 %%DATADIR%%/basis_library/DEF2-TZVPP
 %%DATADIR%%/basis_library/EMB-AIMP
 %%DATADIR%%/basis_library/JGAUSS-DZP
 %%DATADIR%%/basis_library/LANL2DZ
 %%DATADIR%%/basis_library/LANL2DZ_NL
 %%DATADIR%%/basis_library/MCP-AQZP
 %%DATADIR%%/basis_library/MCP-ATZP
 %%DATADIR%%/basis_library/MCP-DZP
 %%DATADIR%%/basis_library/MCP-QZP
 %%DATADIR%%/basis_library/MCP-TZP
 %%DATADIR%%/basis_library/MUONIC
 %%DATADIR%%/basis_library/NP-AIMP
 %%DATADIR%%/basis_library/NR-AIMP
 %%DATADIR%%/basis_library/PC-0
 %%DATADIR%%/basis_library/PC-1
 %%DATADIR%%/basis_library/PC-2
 %%DATADIR%%/basis_library/PC-3
 %%DATADIR%%/basis_library/PC-4
 %%DATADIR%%/basis_library/QRPLIB
 %%DATADIR%%/basis_library/RAF-R
 %%DATADIR%%/basis_library/RYDBERG
 %%DATADIR%%/basis_library/SADLEJ_PVTZ
 %%DATADIR%%/basis_library/SARC2-QZVP-DKH2
 %%DATADIR%%/basis_library/STO-3G
 %%DATADIR%%/basis_library/STUTTGART
 %%DATADIR%%/basis_library/STUTTGART_NL
 %%DATADIR%%/basis_library/basis.tbl
 %%DATADIR%%/basis_library/basistype.tbl
 %%DATADIR%%/basis_library/c_Basis/DEF-SV-P
 %%DATADIR%%/basis_library/c_Basis/DEF-SVP
 %%DATADIR%%/basis_library/c_Basis/DEF-TZVP
 %%DATADIR%%/basis_library/c_Basis/basis.tbl
 %%DATADIR%%/basis_library/c_Basis/basistype.tbl
 %%DATADIR%%/basis_library/c_Basis/trans.tbl
 %%DATADIR%%/basis_library/j_Basis/DEF-SV-P
 %%DATADIR%%/basis_library/j_Basis/DEF-SVP
 %%DATADIR%%/basis_library/j_Basis/DEF-TZVP
 %%DATADIR%%/basis_library/j_Basis/basis.tbl
 %%DATADIR%%/basis_library/j_Basis/basistype.tbl
 %%DATADIR%%/basis_library/j_Basis/trans.tbl
 %%DATADIR%%/basis_library/jk_Basis/CC-PVTZ
 %%DATADIR%%/basis_library/jk_Basis/DEF-SV-P
 %%DATADIR%%/basis_library/jk_Basis/DEF-SVP
 %%DATADIR%%/basis_library/jk_Basis/basis.tbl
 %%DATADIR%%/basis_library/jk_Basis/basistype.tbl
 %%DATADIR%%/basis_library/jk_Basis/trans.tbl
 %%DATADIR%%/basis_library/trans.tbl
 %%DATADIR%%/bin/alaska.exe
 %%DATADIR%%/bin/averd.exe
 %%DATADIR%%/bin/caspt2.exe
 %%DATADIR%%/bin/casvb.exe
 %%DATADIR%%/bin/ccsdt.exe
 %%DATADIR%%/bin/chcc.exe
 %%DATADIR%%/bin/cht3.exe
 %%DATADIR%%/bin/cpf.exe
 %%DATADIR%%/bin/dynamix.exe
 %%DATADIR%%/bin/espf.exe
 %%DATADIR%%/bin/expbas.exe
 %%DATADIR%%/bin/extf.exe
 %%DATADIR%%/bin/false.exe
 %%DATADIR%%/bin/ffpt.exe
 %%DATADIR%%/bin/gateway.exe
 %%DATADIR%%/bin/genano.exe
 %%DATADIR%%/bin/grid_it.exe
 %%DATADIR%%/bin/guessorb.exe
 %%DATADIR%%/bin/guga.exe
 %%DATADIR%%/bin/gugaci.exe
 %%DATADIR%%/bin/gugadrt.exe
 %%DATADIR%%/bin/last_energy.exe
 %%DATADIR%%/bin/localisation.exe
 %%DATADIR%%/bin/loprop.exe
 %%DATADIR%%/bin/mbpt2.exe
 %%DATADIR%%/bin/mckinley.exe
 %%DATADIR%%/bin/mclr.exe
 %%DATADIR%%/bin/mcpdft.exe
 %%DATADIR%%/bin/motra.exe
 %%DATADIR%%/bin/mpprop.exe
 %%DATADIR%%/bin/mrci.exe
 %%DATADIR%%/bin/mula.exe
 %%DATADIR%%/bin/numerical_gradient.exe
 %%DATADIR%%/bin/parnell.exe
 %%DATADIR%%/bin/poly_aniso.exe
 %%DATADIR%%/bin/qmstat.exe
 %%DATADIR%%/bin/quater.exe
 %%DATADIR%%/bin/rasscf.exe
 %%DATADIR%%/bin/rassi.exe
 %%DATADIR%%/bin/rhodyn.exe
 %%DATADIR%%/bin/rpa.exe
 %%DATADIR%%/bin/scf.exe
 %%DATADIR%%/bin/seward.exe
 %%DATADIR%%/bin/single_aniso.exe
 %%DATADIR%%/bin/slapaf.exe
 %%DATADIR%%/bin/surfacehop.exe
+%%DATADIR%%/bin/symmetrize.exe
 %%DATADIR%%/bin/vibrot.exe
 %%DATADIR%%/data/MolGUI.prgm
 %%DATADIR%%/data/abdata
 %%DATADIR%%/data/alaska.prgm
 %%DATADIR%%/data/averd.prgm
 %%DATADIR%%/data/banner.txt
 %%DATADIR%%/data/caspt2.prgm
 %%DATADIR%%/data/casvb.prgm
 %%DATADIR%%/data/ccsdt.prgm
 %%DATADIR%%/data/chcc.prgm
 %%DATADIR%%/data/check.prgm
 %%DATADIR%%/data/cht3.prgm
 %%DATADIR%%/data/cpf.prgm
 %%DATADIR%%/data/dmrgscf.prgm
 %%DATADIR%%/data/dynamix.prgm
 %%DATADIR%%/data/espf.prgm
 %%DATADIR%%/data/expbas.prgm
 %%DATADIR%%/data/extf.prgm
 %%DATADIR%%/data/false.prgm
 %%DATADIR%%/data/ffpt.prgm
 %%DATADIR%%/data/functionals.txt
 %%DATADIR%%/data/gateway.prgm
 %%DATADIR%%/data/genano.prgm
 %%DATADIR%%/data/global.prgm
 %%DATADIR%%/data/grid_it.prgm
 %%DATADIR%%/data/guessorb.prgm
 %%DATADIR%%/data/guga.prgm
 %%DATADIR%%/data/gugaci.prgm
 %%DATADIR%%/data/gugadrt.prgm
 %%DATADIR%%/data/info.txt
 %%DATADIR%%/data/inporb_files.prgm
 %%DATADIR%%/data/inputs.tpl
 %%DATADIR%%/data/isotope_data.txt
 %%DATADIR%%/data/keyword.db
 %%DATADIR%%/data/keyword.xml
 %%DATADIR%%/data/landing.txt
 %%DATADIR%%/data/last_energy.prgm
 %%DATADIR%%/data/localisation.prgm
 %%DATADIR%%/data/loprop.prgm
 %%DATADIR%%/data/mbpt2.prgm
 %%DATADIR%%/data/mckinley.prgm
 %%DATADIR%%/data/mclr.prgm
 %%DATADIR%%/data/mcpdft.prgm
 %%DATADIR%%/data/modalias.txt
 %%DATADIR%%/data/motra.prgm
 %%DATADIR%%/data/mpprop.prgm
 %%DATADIR%%/data/mpssi.prgm
 %%DATADIR%%/data/mrci.prgm
 %%DATADIR%%/data/mula.prgm
 %%DATADIR%%/data/nevpt2.prgm
 %%DATADIR%%/data/numerical_gradient.prgm
 %%DATADIR%%/data/poly_aniso.prgm
 %%DATADIR%%/data/qmstat.prgm
 %%DATADIR%%/data/quater.prgm
 %%DATADIR%%/data/rasscf.prgm
 %%DATADIR%%/data/rassi.prgm
 %%DATADIR%%/data/rcodes.txt
 %%DATADIR%%/data/rhodyn.prgm
 %%DATADIR%%/data/rpa.prgm
 %%DATADIR%%/data/rysrw
 %%DATADIR%%/data/scf.prgm
 %%DATADIR%%/data/seward.prgm
 %%DATADIR%%/data/single_aniso.prgm
 %%DATADIR%%/data/slapaf.prgm
 %%DATADIR%%/data/surfacehop.prgm
 %%DATADIR%%/data/symmetrize.prgm
 %%DATADIR%%/data/vibrot.prgm
 %%DATADIR%%/data/wfa.prgm
 %%DATADIR%%/molcas.rte
 %%DATADIR%%/pymolcas
 %%DATADIR%%/sbin/help_basis
 %%DATADIR%%/sbin/help_doc
 %%DATADIR%%/sbin/help_func
 %%DATADIR%%/sbin/setup
 %%DATADIR%%/sbin/version