diff --git a/science/erkale-pseudopotentials/Makefile b/science/erkale-pseudopotentials/Makefile
index 597c349f212f..06cf9cdb66f2 100644
--- a/science/erkale-pseudopotentials/Makefile
+++ b/science/erkale-pseudopotentials/Makefile
@@ -1,24 +1,24 @@
 PORTNAME=	erkale-pseudopotentials
-DISTVERSION=	g20200426
+DISTVERSION=	g20220405
 CATEGORIES=	science
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Pseudopotentials for Erkale, the quantum chemistry program
 
 LICENSE=	GPLv2
 LICENSE_FILE=	${WRKSRC}/COPYING
 
 USE_GITHUB=	yes
 GH_ACCOUNT=	susilehtola
 GH_PROJECT=	erkale
-GH_TAGNAME=	870e772f09631b3dbdd99a18e4f3d4786d684a01
+GH_TAGNAME=	f005a9ed588d7b6fcda54648db16523419308cbd
 
 NO_BUILD=	yes
 NO_ARCH=	yes
 
 DATADIR=	${LOCALBASE}/share/erkale
 
 do-install:
 	@cd ${WRKSRC} && ${COPYTREE_SHARE} basis ${STAGEDIR}${DATADIR}
 
 .include <bsd.port.mk>
diff --git a/science/erkale-pseudopotentials/distinfo b/science/erkale-pseudopotentials/distinfo
index 9ad3d439c3e1..be68cefe40b3 100644
--- a/science/erkale-pseudopotentials/distinfo
+++ b/science/erkale-pseudopotentials/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1588805010
-SHA256 (susilehtola-erkale-g20200426-870e772f09631b3dbdd99a18e4f3d4786d684a01_GH0.tar.gz) = ea0fc3a75e669a0e90aaa7940bc0c7e3b3b7a8a38e1a898595e1fe9cf2ab6f72
-SIZE (susilehtola-erkale-g20200426-870e772f09631b3dbdd99a18e4f3d4786d684a01_GH0.tar.gz) = 42824841
+TIMESTAMP = 1653415374
+SHA256 (susilehtola-erkale-g20220405-f005a9ed588d7b6fcda54648db16523419308cbd_GH0.tar.gz) = 70580f7c9e47c7daca55d5477dd5d40ce204250b5d42c8154fd5976460b07249
+SIZE (susilehtola-erkale-g20220405-f005a9ed588d7b6fcda54648db16523419308cbd_GH0.tar.gz) = 45624288
diff --git a/science/erkale-pseudopotentials/pkg-plist b/science/erkale-pseudopotentials/pkg-plist
index b3ac8d648bf2..76b797782c44 100644
--- a/science/erkale-pseudopotentials/pkg-plist
+++ b/science/erkale-pseudopotentials/pkg-plist
@@ -1,295 +1,323 @@
 %%DATADIR%%/basis/3-21++G.gbs
 %%DATADIR%%/basis/3-21+G.gbs
 %%DATADIR%%/basis/3-21G.gbs
 %%DATADIR%%/basis/4-31G.gbs
 %%DATADIR%%/basis/5ZP-DKH.gbs
 %%DATADIR%%/basis/5ZP.gbs
 %%DATADIR%%/basis/6-21G.gbs
 %%DATADIR%%/basis/6-31++G(2d,2p).gbs
 %%DATADIR%%/basis/6-31++G(2df,2pd).gbs
 %%DATADIR%%/basis/6-31++G(3d,3p).gbs
 %%DATADIR%%/basis/6-31++G(3df,3pd).gbs
 %%DATADIR%%/basis/6-31++G(d,p).gbs
 %%DATADIR%%/basis/6-31++G(df,pd).gbs
 %%DATADIR%%/basis/6-31++G.gbs
 %%DATADIR%%/basis/6-31+G(2d,2p).gbs
 %%DATADIR%%/basis/6-31+G(2df,2pd).gbs
 %%DATADIR%%/basis/6-31+G(3d,3p).gbs
 %%DATADIR%%/basis/6-31+G(3df,3pd).gbs
 %%DATADIR%%/basis/6-31+G(d,p).gbs
 %%DATADIR%%/basis/6-31+G(df,pd).gbs
 %%DATADIR%%/basis/6-31+G.gbs
 %%DATADIR%%/basis/6-311++G(2d,2p).gbs
 %%DATADIR%%/basis/6-311++G(2df,2pd).gbs
 %%DATADIR%%/basis/6-311++G(3d,3p).gbs
 %%DATADIR%%/basis/6-311++G(3df,3pd).gbs
 %%DATADIR%%/basis/6-311++G(d,p).gbs
 %%DATADIR%%/basis/6-311++G(df,pd).gbs
 %%DATADIR%%/basis/6-311++G.gbs
 %%DATADIR%%/basis/6-311+G(2d,2p).gbs
 %%DATADIR%%/basis/6-311+G(2df,2pd).gbs
 %%DATADIR%%/basis/6-311+G(3d,3p).gbs
 %%DATADIR%%/basis/6-311+G(3df,3pd).gbs
 %%DATADIR%%/basis/6-311+G(d,p).gbs
 %%DATADIR%%/basis/6-311+G(df,pd).gbs
 %%DATADIR%%/basis/6-311+G.gbs
 %%DATADIR%%/basis/6-311G(2d,2p).gbs
 %%DATADIR%%/basis/6-311G(2df,2pd).gbs
 %%DATADIR%%/basis/6-311G(3d,3p).gbs
 %%DATADIR%%/basis/6-311G(3df,3pd).gbs
 %%DATADIR%%/basis/6-311G(d,p).gbs
 %%DATADIR%%/basis/6-311G(df,pd).gbs
 %%DATADIR%%/basis/6-311G.gbs
 %%DATADIR%%/basis/6-31G(2d,2p).gbs
 %%DATADIR%%/basis/6-31G(2df,2pd).gbs
 %%DATADIR%%/basis/6-31G(3d,3p).gbs
 %%DATADIR%%/basis/6-31G(3df,3pd).gbs
 %%DATADIR%%/basis/6-31G(d,p).gbs
 %%DATADIR%%/basis/6-31G(df,pd).gbs
 %%DATADIR%%/basis/6-31G.gbs
 %%DATADIR%%/basis/6ZP-DKH.gbs
 %%DATADIR%%/basis/6ZP.gbs
 %%DATADIR%%/basis/A5ZP.gbs
 %%DATADIR%%/basis/ADZP.gbs
+%%DATADIR%%/basis/AHGBS-5.gbs
+%%DATADIR%%/basis/AHGBS-7.gbs
+%%DATADIR%%/basis/AHGBS-9.gbs
+%%DATADIR%%/basis/AHGBSP1-5.gbs
+%%DATADIR%%/basis/AHGBSP1-7.gbs
+%%DATADIR%%/basis/AHGBSP1-9.gbs
+%%DATADIR%%/basis/AHGBSP2-5.gbs
+%%DATADIR%%/basis/AHGBSP2-7.gbs
+%%DATADIR%%/basis/AHGBSP2-9.gbs
+%%DATADIR%%/basis/AHGBSP3-5.gbs
+%%DATADIR%%/basis/AHGBSP3-7.gbs
+%%DATADIR%%/basis/AHGBSP3-9.gbs
 %%DATADIR%%/basis/ANO-RCC.gbs
 %%DATADIR%%/basis/AQZP.gbs
 %%DATADIR%%/basis/ATZP.gbs
+%%DATADIR%%/basis/DFO+_nrlmol.gbs
+%%DATADIR%%/basis/DFO_nrlmol.gbs
 %%DATADIR%%/basis/DZ.gbs
 %%DATADIR%%/basis/DZP-DKH.gbs
 %%DATADIR%%/basis/DZP.gbs
 %%DATADIR%%/basis/DZP_Dunning+diffuse.gbs
 %%DATADIR%%/basis/DZP_Dunning.gbs
 %%DATADIR%%/basis/DZVP.gbs
 %%DATADIR%%/basis/DZVP2.gbs
+%%DATADIR%%/basis/HGBS-5.gbs
+%%DATADIR%%/basis/HGBS-7.gbs
+%%DATADIR%%/basis/HGBS-9.gbs
+%%DATADIR%%/basis/HGBSP1-5.gbs
+%%DATADIR%%/basis/HGBSP1-7.gbs
+%%DATADIR%%/basis/HGBSP1-9.gbs
+%%DATADIR%%/basis/HGBSP2-5.gbs
+%%DATADIR%%/basis/HGBSP2-7.gbs
+%%DATADIR%%/basis/HGBSP2-9.gbs
+%%DATADIR%%/basis/HGBSP3-5.gbs
+%%DATADIR%%/basis/HGBSP3-7.gbs
+%%DATADIR%%/basis/HGBSP3-9.gbs
 %%DATADIR%%/basis/IGLO-II.gbs
 %%DATADIR%%/basis/IGLO-III.gbs
 %%DATADIR%%/basis/MG3S.gbs
 %%DATADIR%%/basis/MIDI.gbs
 %%DATADIR%%/basis/MINAO.gbs
 %%DATADIR%%/basis/MINI.gbs
 %%DATADIR%%/basis/QZP-DKH.gbs
 %%DATADIR%%/basis/QZP.gbs
 %%DATADIR%%/basis/RIJK.gbs
 %%DATADIR%%/basis/Roos-ADZ-ANO.gbs
 %%DATADIR%%/basis/Roos-ATZ-ANO.gbs
 %%DATADIR%%/basis/STO-2G.gbs
 %%DATADIR%%/basis/STO-3G.gbs
 %%DATADIR%%/basis/STO-6G.gbs
 %%DATADIR%%/basis/SV.gbs
 %%DATADIR%%/basis/SVP+diffuse.gbs
 %%DATADIR%%/basis/SVP.gbs
 %%DATADIR%%/basis/Sadlej.gbs
 %%DATADIR%%/basis/TZ.gbs
 %%DATADIR%%/basis/TZP-DKH.gbs
 %%DATADIR%%/basis/TZP.gbs
 %%DATADIR%%/basis/UGBS.gbs
 %%DATADIR%%/basis/UGBS1O++.gbs
 %%DATADIR%%/basis/UGBS1O+.gbs
 %%DATADIR%%/basis/UGBS1O.gbs
 %%DATADIR%%/basis/UGBS1P++.gbs
 %%DATADIR%%/basis/UGBS1P+.gbs
 %%DATADIR%%/basis/UGBS1P.gbs
 %%DATADIR%%/basis/UGBS1V++.gbs
 %%DATADIR%%/basis/UGBS1V+.gbs
 %%DATADIR%%/basis/UGBS1V.gbs
 %%DATADIR%%/basis/UGBS2O++.gbs
 %%DATADIR%%/basis/UGBS2O+.gbs
 %%DATADIR%%/basis/UGBS2O.gbs
 %%DATADIR%%/basis/UGBS2P++.gbs
 %%DATADIR%%/basis/UGBS2P+.gbs
 %%DATADIR%%/basis/UGBS2P.gbs
 %%DATADIR%%/basis/UGBS2V++.gbs
 %%DATADIR%%/basis/UGBS2V+.gbs
 %%DATADIR%%/basis/UGBS2V.gbs
 %%DATADIR%%/basis/UGBS3O++.gbs
 %%DATADIR%%/basis/UGBS3O+.gbs
 %%DATADIR%%/basis/UGBS3O.gbs
 %%DATADIR%%/basis/UGBS3P++.gbs
 %%DATADIR%%/basis/UGBS3P+.gbs
 %%DATADIR%%/basis/UGBS3P.gbs
 %%DATADIR%%/basis/UGBS3V++.gbs
 %%DATADIR%%/basis/UGBS3V+.gbs
 %%DATADIR%%/basis/UGBS3V.gbs
 %%DATADIR%%/basis/X-AUTO.gbs
 %%DATADIR%%/basis/X-FIRST.gbs
 %%DATADIR%%/basis/X-SECOND.gbs
 %%DATADIR%%/basis/aug-cc-pCV5Z.gbs
 %%DATADIR%%/basis/aug-cc-pCVDZ.gbs
 %%DATADIR%%/basis/aug-cc-pCVQZ.gbs
 %%DATADIR%%/basis/aug-cc-pCVTZ.gbs
 %%DATADIR%%/basis/aug-cc-pV(5+d)Z.gbs
 %%DATADIR%%/basis/aug-cc-pV(6+d)Z.gbs
 %%DATADIR%%/basis/aug-cc-pV(D+d)Z.gbs
 %%DATADIR%%/basis/aug-cc-pV(Q+d)Z.gbs
 %%DATADIR%%/basis/aug-cc-pV(T+d)Z.gbs
 %%DATADIR%%/basis/aug-cc-pV5Z-JK.gbs
 %%DATADIR%%/basis/aug-cc-pV5Z-RIMP2.gbs
 %%DATADIR%%/basis/aug-cc-pV5Z.gbs
 %%DATADIR%%/basis/aug-cc-pV6Z.gbs
 %%DATADIR%%/basis/aug-cc-pVDZ-JK.gbs
 %%DATADIR%%/basis/aug-cc-pVDZ-RIMP2.gbs
 %%DATADIR%%/basis/aug-cc-pVDZ.gbs
 %%DATADIR%%/basis/aug-cc-pVQZ-JK.gbs
 %%DATADIR%%/basis/aug-cc-pVQZ-RIMP2.gbs
 %%DATADIR%%/basis/aug-cc-pVQZ.gbs
 %%DATADIR%%/basis/aug-cc-pVTZ-JK.gbs
 %%DATADIR%%/basis/aug-cc-pVTZ-RIMP2.gbs
 %%DATADIR%%/basis/aug-cc-pVTZ.gbs
 %%DATADIR%%/basis/aug-cc-pwCV5Z.gbs
 %%DATADIR%%/basis/aug-cc-pwCVDZ.gbs
 %%DATADIR%%/basis/aug-cc-pwCVQZ.gbs
 %%DATADIR%%/basis/aug-cc-pwCVTZ.gbs
 %%DATADIR%%/basis/aug-pc-0.gbs
 %%DATADIR%%/basis/aug-pc-1.gbs
 %%DATADIR%%/basis/aug-pc-2.gbs
 %%DATADIR%%/basis/aug-pc-3.gbs
 %%DATADIR%%/basis/aug-pc-4.gbs
 %%DATADIR%%/basis/aug-pcJ-0.gbs
 %%DATADIR%%/basis/aug-pcJ-1.gbs
 %%DATADIR%%/basis/aug-pcJ-2.gbs
 %%DATADIR%%/basis/aug-pcJ-3.gbs
 %%DATADIR%%/basis/aug-pcJ-4.gbs
 %%DATADIR%%/basis/aug-pcS-0.gbs
 %%DATADIR%%/basis/aug-pcS-1.gbs
 %%DATADIR%%/basis/aug-pcS-2.gbs
 %%DATADIR%%/basis/aug-pcS-3.gbs
 %%DATADIR%%/basis/aug-pcS-4.gbs
 %%DATADIR%%/basis/aug-pcSseg-0.gbs
 %%DATADIR%%/basis/aug-pcSseg-1.gbs
 %%DATADIR%%/basis/aug-pcSseg-2.gbs
 %%DATADIR%%/basis/aug-pcSseg-3.gbs
 %%DATADIR%%/basis/aug-pcSseg-4.gbs
 %%DATADIR%%/basis/aug-pcseg-0.gbs
 %%DATADIR%%/basis/aug-pcseg-1.gbs
 %%DATADIR%%/basis/aug-pcseg-2.gbs
 %%DATADIR%%/basis/aug-pcseg-3.gbs
 %%DATADIR%%/basis/aug-pcseg-4.gbs
 %%DATADIR%%/basis/cc-pCV5Z.gbs
 %%DATADIR%%/basis/cc-pCV6Z.gbs
 %%DATADIR%%/basis/cc-pCVDZ.gbs
 %%DATADIR%%/basis/cc-pCVQZ.gbs
 %%DATADIR%%/basis/cc-pCVTZ.gbs
 %%DATADIR%%/basis/cc-pV(5+d)Z.gbs
 %%DATADIR%%/basis/cc-pV(6+d)Z.gbs
 %%DATADIR%%/basis/cc-pV(D+d)Z.gbs
 %%DATADIR%%/basis/cc-pV(Q+d)Z.gbs
 %%DATADIR%%/basis/cc-pV(T+d)Z.gbs
 %%DATADIR%%/basis/cc-pV5Z-JK.gbs
 %%DATADIR%%/basis/cc-pV5Z-RIMP2.gbs
 %%DATADIR%%/basis/cc-pV5Z.gbs
 %%DATADIR%%/basis/cc-pV6Z.gbs
 %%DATADIR%%/basis/cc-pVDZ-JK.gbs
 %%DATADIR%%/basis/cc-pVDZ-RIMP2.gbs
 %%DATADIR%%/basis/cc-pVDZ-uncontr.gbs
 %%DATADIR%%/basis/cc-pVDZ.gbs
 %%DATADIR%%/basis/cc-pVQZ-JK.gbs
 %%DATADIR%%/basis/cc-pVQZ-RIMP2.gbs
 %%DATADIR%%/basis/cc-pVQZ.gbs
 %%DATADIR%%/basis/cc-pVTZ-JK.gbs
 %%DATADIR%%/basis/cc-pVTZ-RIMP2.gbs
 %%DATADIR%%/basis/cc-pVTZ.gbs
 %%DATADIR%%/basis/cc-pwCV5Z.gbs
 %%DATADIR%%/basis/cc-pwCVDZ.gbs
 %%DATADIR%%/basis/cc-pwCVQZ.gbs
 %%DATADIR%%/basis/cc-pwCVTZ.gbs
 %%DATADIR%%/basis/ccemd-2.gbs
 %%DATADIR%%/basis/ccemd-3.gbs
 %%DATADIR%%/basis/ccemd-4.gbs
 %%DATADIR%%/basis/coemd-1.gbs
 %%DATADIR%%/basis/coemd-2.gbs
 %%DATADIR%%/basis/coemd-3.gbs
 %%DATADIR%%/basis/coemd-4.gbs
 %%DATADIR%%/basis/coemd-ref.gbs
 %%DATADIR%%/basis/d-aug-cc-pCV5Z.gbs
 %%DATADIR%%/basis/d-aug-cc-pCVDZ.gbs
 %%DATADIR%%/basis/d-aug-cc-pCVQZ.gbs
 %%DATADIR%%/basis/d-aug-cc-pCVTZ.gbs
 %%DATADIR%%/basis/d-aug-cc-pV(5+d)Z.gbs
 %%DATADIR%%/basis/d-aug-cc-pV(6+d)Z.gbs
 %%DATADIR%%/basis/d-aug-cc-pV(D+d)Z.gbs
 %%DATADIR%%/basis/d-aug-cc-pV(Q+d)Z.gbs
 %%DATADIR%%/basis/d-aug-cc-pV(T+d)Z.gbs
 %%DATADIR%%/basis/d-aug-cc-pV5Z.gbs
 %%DATADIR%%/basis/d-aug-cc-pV6Z.gbs
 %%DATADIR%%/basis/d-aug-cc-pVDZ.gbs
 %%DATADIR%%/basis/d-aug-cc-pVQZ.gbs
 %%DATADIR%%/basis/d-aug-cc-pVTZ.gbs
 %%DATADIR%%/basis/d-aug-pc-1.gbs
 %%DATADIR%%/basis/d-aug-pc-2.gbs
 %%DATADIR%%/basis/d-aug-pc-3.gbs
 %%DATADIR%%/basis/d-aug-pc-4.gbs
 %%DATADIR%%/basis/def2-QZVP.gbs
 %%DATADIR%%/basis/def2-QZVPD.gbs
 %%DATADIR%%/basis/def2-QZVPP.gbs
 %%DATADIR%%/basis/def2-QZVPPD.gbs
 %%DATADIR%%/basis/def2-SV(P).gbs
 %%DATADIR%%/basis/def2-SVP.gbs
 %%DATADIR%%/basis/def2-SVPD.gbs
 %%DATADIR%%/basis/def2-TZVP.gbs
 %%DATADIR%%/basis/def2-TZVPD.gbs
 %%DATADIR%%/basis/def2-TZVPP.gbs
 %%DATADIR%%/basis/def2-TZVPPD.gbs
 %%DATADIR%%/basis/def2-universal-jfit.gbs
 %%DATADIR%%/basis/def2-universal-jkfit.gbs
 %%DATADIR%%/basis/fano-5z.gbs
 %%DATADIR%%/basis/fano-6z.gbs
 %%DATADIR%%/basis/fano-dz.gbs
 %%DATADIR%%/basis/fano-qz.gbs
 %%DATADIR%%/basis/fano-tz.gbs
+%%DATADIR%%/basis/helfem_large.gbs
+%%DATADIR%%/basis/helfem_small.gbs
 %%DATADIR%%/basis/maug-cc-pV(D+d)Z.gbs
 %%DATADIR%%/basis/maug-cc-pV(Q+d)Z.gbs
 %%DATADIR%%/basis/maug-cc-pV(T+d)Z.gbs
 %%DATADIR%%/basis/pc-0.gbs
 %%DATADIR%%/basis/pc-1.gbs
 %%DATADIR%%/basis/pc-2.gbs
 %%DATADIR%%/basis/pc-3.gbs
 %%DATADIR%%/basis/pc-4.gbs
 %%DATADIR%%/basis/pcJ-0.gbs
 %%DATADIR%%/basis/pcJ-1.gbs
 %%DATADIR%%/basis/pcJ-2.gbs
 %%DATADIR%%/basis/pcJ-3.gbs
 %%DATADIR%%/basis/pcJ-4.gbs
 %%DATADIR%%/basis/pcS-0.gbs
 %%DATADIR%%/basis/pcS-1.gbs
 %%DATADIR%%/basis/pcS-2.gbs
 %%DATADIR%%/basis/pcS-3.gbs
 %%DATADIR%%/basis/pcS-4.gbs
 %%DATADIR%%/basis/pcSseg-0.gbs
 %%DATADIR%%/basis/pcSseg-1.gbs
 %%DATADIR%%/basis/pcSseg-2.gbs
 %%DATADIR%%/basis/pcSseg-3.gbs
 %%DATADIR%%/basis/pcSseg-4.gbs
 %%DATADIR%%/basis/pcemd-2.gbs
 %%DATADIR%%/basis/pcemd-3.gbs
 %%DATADIR%%/basis/pcemd-4.gbs
 %%DATADIR%%/basis/pcseg-0.gbs
 %%DATADIR%%/basis/pcseg-1.gbs
 %%DATADIR%%/basis/pcseg-2.gbs
 %%DATADIR%%/basis/pcseg-3.gbs
 %%DATADIR%%/basis/pcseg-4.gbs
 %%DATADIR%%/basis/sapporo-dzp-2012-diffuse.gbs
 %%DATADIR%%/basis/sapporo-dzp-2012.gbs
 %%DATADIR%%/basis/sapporo-qzp-2012-diffuse.gbs
 %%DATADIR%%/basis/sapporo-qzp-2012.gbs
 %%DATADIR%%/basis/sapporo-tzp-2012-diffuse.gbs
 %%DATADIR%%/basis/sapporo-tzp-2012.gbs
 %%DATADIR%%/basis/t-aug-cc-pCV5Z.gbs
 %%DATADIR%%/basis/t-aug-cc-pCVDZ.gbs
 %%DATADIR%%/basis/t-aug-cc-pCVQZ.gbs
 %%DATADIR%%/basis/t-aug-cc-pCVTZ.gbs
 %%DATADIR%%/basis/t-aug-cc-pV(5+d)Z.gbs
 %%DATADIR%%/basis/t-aug-cc-pV(6+d)Z.gbs
 %%DATADIR%%/basis/t-aug-cc-pV(D+d)Z.gbs
 %%DATADIR%%/basis/t-aug-cc-pV(Q+d)Z.gbs
 %%DATADIR%%/basis/t-aug-cc-pV(T+d)Z.gbs
 %%DATADIR%%/basis/t-aug-cc-pV5Z.gbs
 %%DATADIR%%/basis/t-aug-cc-pV6Z.gbs
 %%DATADIR%%/basis/t-aug-cc-pVDZ.gbs
 %%DATADIR%%/basis/t-aug-cc-pVQZ.gbs
 %%DATADIR%%/basis/t-aug-cc-pVTZ.gbs
 %%DATADIR%%/basis/t-aug-pc-1.gbs
 %%DATADIR%%/basis/t-aug-pc-2.gbs
 %%DATADIR%%/basis/t-aug-pc-3.gbs
 %%DATADIR%%/basis/t-aug-pc-4.gbs
 %%DATADIR%%/basis/un-ccemd-ref.gbs
 %%DATADIR%%/basis/un-pcemd-ref.gbs
diff --git a/science/erkale/Makefile b/science/erkale/Makefile
index 81236675ea07..1638baadf1d4 100644
--- a/science/erkale/Makefile
+++ b/science/erkale/Makefile
@@ -1,67 +1,67 @@
 PORTNAME=	erkale
-DISTVERSION=	g20210215
-PORTREVISION=	3
+DISTVERSION=	g20220405
 CATEGORIES=	science
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Quantum chemistry program to solve the electronic structure of atoms
 
 LICENSE=	GPLv2
 LICENSE_FILE=	${WRKSRC}/COPYING
 
 BROKEN_i386=	liberkale_omp.so.0.1.0: undefined reference to `__atomic_compare_exchange'
 
 BUILD_DEPENDS=	armadillo>0:math/armadillo
 LIB_DEPENDS=	libderiv.so:science/libint \
 		libgsl.so:math/gsl \
 		libhdf5.so:science/hdf5 \
 		libint.so:science/libint \
 		libsz.so:science/szip \
 		libxc.so:science/libxc
 RUN_DEPENDS=	${LOCALBASE}/share/erkale/basis/6-21G.gbs:science/erkale-pseudopotentials
 
 FLAVORS=	parallel serial
 FLAVOR?=	${FLAVORS:[1]}
 serial_PKGNAMESUFFIX=	-serial
 
 USES=		cmake:noninja compiler:c11 fortran pkgconfig
+USE_LDCONFIG=	yes
+
 USE_GITHUB=	yes
 GH_ACCOUNT=	susilehtola
-GH_TAGNAME=	8297aefe5aac9dbbb291e04c07661f3cff94a99a
-USE_LDCONFIG=	yes
+GH_TAGNAME=	f005a9ed588d7b6fcda54648db16523419308cbd
 
 TEST_TARGET=	test
 
 CMAKE_ON=	BUILD_SHARED_LIBS
 CMAKE_ARGS=	-DERKALE_SYSTEM_LIBRARY=${DATADIR}/basis
 
 PLIST_SUB=	SUFFIX="${SUFFIX}"
 
 .if ${FLAVOR} == serial
 CMAKE_OFF=	USE_OPENMP
 .else # parallel
 CMAKE_ON+=	USE_OPENMP
 SUFFIX=		_omp
 .endif
 
 OPTIONS_SINGLE=		LINALG
 OPTIONS_SINGLE_LINALG=	NETLIB OPENBLAS
 OPTIONS_DEFAULT=	OPENBLAS
 LINALG_DESC=		Linear algebra library
 
 NETLIB_USES=		blaslapack:netlib
 NETLIB_CMAKE_ON=	-DLAPACK_LIBRARIES:STRING=-llapack -DBLAS_LIBRARIES:STRING=-lblas
 NETLIB_LDFLAGS=		${LOCALBASE}/lib/libcblas.so ${LOCALBASE}/lib/liblapack.so ${LOCALBASE}/lib/libblas.so
 NETLIB_LIB_DEPENDS=	libcblas.so:math/cblas
 NETLIB_BROKEN=		choosing NETLIB causes a conflict: openblas-0.3.7_3,1 conflicts with cblas-1.0_12 on /usr/local/include/cblas.h
 
 OPENBLAS_USES=		blaslapack:openblas
 OPENBLAS_CMAKE_ON=	-DLAPACK_LIBRARIES:STRING=-lopenblas -DBLAS_LIBRARIES:STRING=-lopenblas
 
 .if ${FLAVOR} == parallel
 post-install:
 	@${MV} ${STAGEDIR}${PREFIX}/include/erkale ${STAGEDIR}${PREFIX}/include/erkale${SUFFIX}
 	@${MV} ${STAGEDIR}${PREFIX}/bin/erkale_bastool ${STAGEDIR}${PREFIX}/bin/erkale_bastool${SUFFIX}
 .endif
 
 .include <bsd.port.mk>
diff --git a/science/erkale/distinfo b/science/erkale/distinfo
index c12665ba5e32..4b8075813bb9 100644
--- a/science/erkale/distinfo
+++ b/science/erkale/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1617930843
-SHA256 (susilehtola-erkale-g20210215-8297aefe5aac9dbbb291e04c07661f3cff94a99a_GH0.tar.gz) = 7f505e3aaa78f7ab59dfed865652fa7a58f22d807740efd4d1cc38615858e297
-SIZE (susilehtola-erkale-g20210215-8297aefe5aac9dbbb291e04c07661f3cff94a99a_GH0.tar.gz) = 45621623
+TIMESTAMP = 1653414365
+SHA256 (susilehtola-erkale-g20220405-f005a9ed588d7b6fcda54648db16523419308cbd_GH0.tar.gz) = 70580f7c9e47c7daca55d5477dd5d40ce204250b5d42c8154fd5976460b07249
+SIZE (susilehtola-erkale-g20220405-f005a9ed588d7b6fcda54648db16523419308cbd_GH0.tar.gz) = 45624288