Index: head/science/dalton/Makefile
===================================================================
--- head/science/dalton/Makefile	(revision 555442)
+++ head/science/dalton/Makefile	(revision 555443)
@@ -1,38 +1,36 @@
 # $FreeBSD$
 
 PORTNAME=	dalton
-DISTVERSION=	2018.2
-PORTREVISION=	2
+DISTVERSION=	2020.0
 CATEGORIES=	science
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Powerful molecular electronic structure program for quantum chemistry
 
 LICENSE=	LGPL21
 
 LIB_DEPENDS=	liblapack.so:math/lapack \
 		libopenblas.so:math/openblas
 RUN_DEPENDS=	bash:shells/bash
 
 USES=		cmake:noninja fortran python:build shebangfix
 SHEBANG_FILES=	dalton.in
-USE_GITLAB=	yes
-GL_COMMIT=	4aa945ecd235fbf67ed0c1609617c553ef40be89
-USE_GITHUB=	nodefault
 
+USE_GITLAB=	yes
+GL_COMMIT=	66052b3af5ea7225e31178bf9a8b031913c72190
 GL_TUPLE=	bingao:gen1int:1e4148ecd676761b3399801acba443925a1fee6b:gen1int/external/gen1int \
-		dalton:efs:ffc1a2f137fa6e322143bf84be724d9b815e637b:efs/external/efs \
-		pe-software:pelib-public:ba0ba35e9d8f5663f320fb3de6010fb66106ed80:pelib/external/pelib
-GH_TUPLE=	cstein:qfitlib:fdf3f38:qfitlib/external/qfitlib \
-		dftlibs:xcfun:177fcd96:xcfun/external/xcfun \
-		dftlibs:xcint:2d1496f5:xcint/external/xcint
+		pe-software:pelib-public:cf49a6e04fdca09af6245fb68a36d20b68552ace:pelib/external/pelib
 
+USE_GITHUB=	nodefault
+GH_TUPLE=	cstein:qfitlib:1acdc9863fdeae2cdbc7f5a599413257a095b8ad:qfitlib/external/qfitlib
+
 BINARY_ALIAS=	python=${PYTHON_CMD}
 
 post-install:
 	@${MV} ${STAGEDIR}${PREFIX}/${PORTNAME} ${STAGEDIR}${DATADIR}
 	@${REINPLACE_CMD} -i '' 's|%%SCRIPT_DIR%%|${DATADIR}|; s|%%PREFIX%%|${PREFIX}|' ${STAGEDIR}${DATADIR}/${PORTNAME}
 	@${MV} ${STAGEDIR}${DATADIR}/${PORTNAME}* ${STAGEDIR}${PREFIX}/bin/
+	@cd ${STAGEDIR}${DATADIR}/tools && ${STRIP_CMD} aces2dalton distances FChk2HES labread xyz2dalton
 	@cd ${STAGEDIR}${DATADIR} && ${RM} -r tools/CMakeFiles tools/Makefile tools/cmake_install.cmake
 
 .include <bsd.port.mk>
Index: head/science/dalton/distinfo
===================================================================
--- head/science/dalton/distinfo	(revision 555442)
+++ head/science/dalton/distinfo	(revision 555443)
@@ -1,15 +1,9 @@
-TIMESTAMP = 1564891971
-SHA256 (cstein-qfitlib-fdf3f38_GH0.tar.gz) = eb9bf8d5a59e5bf343796abd4882f7a7f85aa4172e70198c5eaad797c57919ee
-SIZE (cstein-qfitlib-fdf3f38_GH0.tar.gz) = 49762
-SHA256 (dftlibs-xcfun-177fcd96_GH0.tar.gz) = 101ea603ff5711a8c6427611244d4812edca678457dc23a62d1586df092c6d0c
-SIZE (dftlibs-xcfun-177fcd96_GH0.tar.gz) = 145555
-SHA256 (dftlibs-xcint-2d1496f5_GH0.tar.gz) = d1f8dc0470fdea82af4aeb87e37df2017981ea3ddc9e9910e358aa261f3b3f1b
-SIZE (dftlibs-xcint-2d1496f5_GH0.tar.gz) = 77872
-SHA256 (dalton-dalton-4aa945ecd235fbf67ed0c1609617c553ef40be89_GL0.tar.gz) = d4cc015985563a177dda4a32337bc0d5c4461ab71da88ca587841c9a2494bdc1
-SIZE (dalton-dalton-4aa945ecd235fbf67ed0c1609617c553ef40be89_GL0.tar.gz) = 38337239
+TIMESTAMP = 1605489077
+SHA256 (cstein-qfitlib-1acdc9863fdeae2cdbc7f5a599413257a095b8ad_GH0.tar.gz) = cba2b900f9916b8eadf7678f5702990435119073bae2bca98ff7cf4b05f9bcfd
+SIZE (cstein-qfitlib-1acdc9863fdeae2cdbc7f5a599413257a095b8ad_GH0.tar.gz) = 50434
+SHA256 (dalton-dalton-66052b3af5ea7225e31178bf9a8b031913c72190_GL0.tar.gz) = 31a1c68c93c5200c45c4564d088b3c875cbf2acc73985bf9cb12dffe72a2e488
+SIZE (dalton-dalton-66052b3af5ea7225e31178bf9a8b031913c72190_GL0.tar.gz) = 34753806
 SHA256 (bingao-gen1int-1e4148ecd676761b3399801acba443925a1fee6b_GL0.tar.gz) = 24af3d6e7408be3efd04aa0ded641110f9dd11aee21ba6a273e21c0c04b266bc
 SIZE (bingao-gen1int-1e4148ecd676761b3399801acba443925a1fee6b_GL0.tar.gz) = 2889905
-SHA256 (dalton-efs-ffc1a2f137fa6e322143bf84be724d9b815e637b_GL0.tar.gz) = 235cf0cc8941f2a739d426885a2fb40e95727f6296203b3cf7c593ae7cf0266f
-SIZE (dalton-efs-ffc1a2f137fa6e322143bf84be724d9b815e637b_GL0.tar.gz) = 193905
-SHA256 (pe-software-pelib-public-ba0ba35e9d8f5663f320fb3de6010fb66106ed80_GL0.tar.gz) = f8ae7d7ef4aeedb23a71242830f0116772c12844f9cf8e467cf28490ff9b14d6
-SIZE (pe-software-pelib-public-ba0ba35e9d8f5663f320fb3de6010fb66106ed80_GL0.tar.gz) = 54928
+SHA256 (pe-software-pelib-public-cf49a6e04fdca09af6245fb68a36d20b68552ace_GL0.tar.gz) = 144e22099fac727fb168ffe5a9f4d046d0c3fa161fe2c9e20a25401c58e53ec3
+SIZE (pe-software-pelib-public-cf49a6e04fdca09af6245fb68a36d20b68552ace_GL0.tar.gz) = 86745
Index: head/science/dalton/files/patch-dalton.in
===================================================================
--- head/science/dalton/files/patch-dalton.in	(revision 555442)
+++ head/science/dalton/files/patch-dalton.in	(nonexistent)
@@ -1,32 +0,0 @@
---- dalton.in.orig	2018-12-17 03:56:23 UTC
-+++ dalton.in
-@@ -18,18 +18,9 @@ mpi_enabled=@ENABLE_MPI@
- dalton="dalton"
- DALTON="DALTON"
- 
--# radovan: this is to figure out the location of this script
--# http://stackoverflow.com/questions/59895/can-a-bash-script-tell-what-directory-its-stored-in
--SOURCE="${BASH_SOURCE[0]}"
--while [ -h "$SOURCE" ]; do # resolve $SOURCE until the file is no longer a symlink
--    SCRIPT_DIR="$( cd -P "$( dirname "$SOURCE" )" && pwd )"
--    SOURCE="$(readlink "$SOURCE")"
--    # if $SOURCE was a relative symlink, we need to resolve it relative to the path where the symlink file was located
--    [[ $SOURCE != /* ]] && SOURCE="$SCRIPT_DIR/$SOURCE"
--done
--SCRIPT_DIR="$( cd -P "$( dirname "$SOURCE" )" && pwd )"
-+SCRIPT_DIR="%%SCRIPT_DIR%%"
- 
--DALTON_EXECUTABLE=$SCRIPT_DIR/$dalton.x
-+DALTON_EXECUTABLE=%%PREFIX%%/bin/$dalton.x
- 
- which mpirun > /dev/null # check if mpirun exists, if not, then assume mpiexec
- if [ $? -eq 0 ]; then
-@@ -494,7 +485,7 @@ if [ $opt_cpexe -eq 1 ] ; then
-          fi
-       done
-    fi
--   DALTON_EXECUTABLE=$SCRATCHDIR/dalton.x
-+   DALTON_EXECUTABLE=%%PREFIX%%/bin/dalton.x
- fi
- 
- if ! [ -s "$DALTON_EXECUTABLE" -a -x "$DALTON_EXECUTABLE" ]; then

Property changes on: head/science/dalton/files/patch-dalton.in
___________________________________________________________________
Deleted: fbsd:nokeywords
## -1 +0,0 ##
-yes
\ No newline at end of property
Deleted: svn:eol-style
## -1 +0,0 ##
-native
\ No newline at end of property
Deleted: svn:mime-type
## -1 +0,0 ##
-text/plain
\ No newline at end of property
Index: head/science/dalton/pkg-descr
===================================================================
--- head/science/dalton/pkg-descr	(revision 555442)
+++ head/science/dalton/pkg-descr	(revision 555443)
@@ -1,5 +1,5 @@
 The Dalton program is designed to allow convenient, automated determination of a
 large number of molecular properties based on an HF, DFT, MP2, coupled cluster,
 or MCSCF reference wave function.
 
-WWW: http://daltonprogram.org/
+WWW: https://daltonprogram.org/
Index: head/science/dalton/pkg-plist
===================================================================
--- head/science/dalton/pkg-plist	(revision 555442)
+++ head/science/dalton/pkg-plist	(revision 555443)
@@ -1,318 +1,345 @@
 bin/dalton
 bin/dalton.x
 %%DATADIR%%/GIT_HASH
 %%DATADIR%%/VERSION
 %%DATADIR%%/basis/3-21++G
 %%DATADIR%%/basis/3-21++G*
 %%DATADIR%%/basis/3-21G
 %%DATADIR%%/basis/3-21G*
 %%DATADIR%%/basis/4-31G
 %%DATADIR%%/basis/6-31++G
 %%DATADIR%%/basis/6-31++G*
 %%DATADIR%%/basis/6-31++G**
 %%DATADIR%%/basis/6-31+G
 %%DATADIR%%/basis/6-31+G*
 %%DATADIR%%/basis/6-311++G(2d,2p)
 %%DATADIR%%/basis/6-311++G(3df,3pd)
 %%DATADIR%%/basis/6-311++G**
 %%DATADIR%%/basis/6-311+G*
 %%DATADIR%%/basis/6-311G
 %%DATADIR%%/basis/6-311G(2df,2pd)
 %%DATADIR%%/basis/6-311G*
 %%DATADIR%%/basis/6-311G**
 %%DATADIR%%/basis/6-31G
 %%DATADIR%%/basis/6-31G(3df,3pd)
 %%DATADIR%%/basis/6-31G*
 %%DATADIR%%/basis/6-31G**
 %%DATADIR%%/basis/ANO-DK3
 %%DATADIR%%/basis/ANO-RCC
 %%DATADIR%%/basis/Ahlrichs-Coulomb-Fit
 %%DATADIR%%/basis/Ahlrichs-TZV
 %%DATADIR%%/basis/Ahlrichs-VDZ
 %%DATADIR%%/basis/Ahlrichs-VTZ
 %%DATADIR%%/basis/Ahlrichs-pVDZ
 %%DATADIR%%/basis/Almlof-Taylor-ANO
 %%DATADIR%%/basis/DZ(Dunning)
 %%DATADIR%%/basis/DZ+Rydberg(Dunning)
 %%DATADIR%%/basis/DZP(Dunning)
 %%DATADIR%%/basis/DZP+Diffuse(Dunning)
 %%DATADIR%%/basis/DZP+Rydberg(Dunning)
 %%DATADIR%%/basis/GAMESS-PVTZ
 %%DATADIR%%/basis/GAMESS-VTZ
 %%DATADIR%%/basis/Huckel
 %%DATADIR%%/basis/Huckel_old
 %%DATADIR%%/basis/Huz-II
 %%DATADIR%%/basis/Huz-III
 %%DATADIR%%/basis/Huz-IIIsu3
 %%DATADIR%%/basis/Huz-IIsu2
 %%DATADIR%%/basis/Huz-IV
 %%DATADIR%%/basis/Huz-IVsu4
 %%DATADIR%%/basis/MINI(Huzinaga)
 %%DATADIR%%/basis/MINI(Scaled)
 %%DATADIR%%/basis/McLean-Chandler-VTZ
 %%DATADIR%%/basis/N07D:B3LYP
 %%DATADIR%%/basis/NASA-Ames-ANO
 %%DATADIR%%/basis/NQvD
 %%DATADIR%%/basis/STO-2G
 %%DATADIR%%/basis/STO-3G
 %%DATADIR%%/basis/STO-6G
 %%DATADIR%%/basis/SV(Dunning-Hay)
 %%DATADIR%%/basis/SV+DoubleRydberg(Dunning-Hay)
 %%DATADIR%%/basis/SV+Rydberg(Dunning-Hay)
 %%DATADIR%%/basis/SVP(Dunning-Hay)
 %%DATADIR%%/basis/SVP+Diffuse(Dunning-Hay)
 %%DATADIR%%/basis/Sadlej-pVTZ
 %%DATADIR%%/basis/Sadlej-pVTZ-J
 %%DATADIR%%/basis/TZ(Dunning)
 %%DATADIR%%/basis/Turbomole-DZ
 %%DATADIR%%/basis/Turbomole-DZP
 %%DATADIR%%/basis/Turbomole-QZV
 %%DATADIR%%/basis/Turbomole-QZVP
 %%DATADIR%%/basis/Turbomole-QZVPP
 %%DATADIR%%/basis/Turbomole-SV
 %%DATADIR%%/basis/Turbomole-SVP
 %%DATADIR%%/basis/Turbomole-TZ
 %%DATADIR%%/basis/Turbomole-TZP
 %%DATADIR%%/basis/Turbomole-TZV
 %%DATADIR%%/basis/Turbomole-TZV2P
 %%DATADIR%%/basis/Turbomole-TZVP
 %%DATADIR%%/basis/Turbomole-TZVPP
 %%DATADIR%%/basis/Turbomole-TZVPPP
 %%DATADIR%%/basis/UnitTest_genD
 %%DATADIR%%/basis/UnitTest_genF
 %%DATADIR%%/basis/UnitTest_genP
 %%DATADIR%%/basis/UnitTest_genS
 %%DATADIR%%/basis/UnitTest_segD
 %%DATADIR%%/basis/UnitTest_segD1p
 %%DATADIR%%/basis/UnitTest_segF
 %%DATADIR%%/basis/UnitTest_segF1p
 %%DATADIR%%/basis/UnitTest_segP
 %%DATADIR%%/basis/UnitTest_segP1p
 %%DATADIR%%/basis/UnitTest_segS
 %%DATADIR%%/basis/UnitTest_segS1p
 %%DATADIR%%/basis/UnitTest_segSP
 %%DATADIR%%/basis/Wachtersa+f
 %%DATADIR%%/basis/ano-1
 %%DATADIR%%/basis/ano-2
 %%DATADIR%%/basis/ano-3
 %%DATADIR%%/basis/ano-4
 %%DATADIR%%/basis/apc-0
 %%DATADIR%%/basis/apc-1
 %%DATADIR%%/basis/apc-2
 %%DATADIR%%/basis/apc-3
 %%DATADIR%%/basis/apc-4
 %%DATADIR%%/basis/aug-Test
 %%DATADIR%%/basis/aug-cc-pCV5Z
 %%DATADIR%%/basis/aug-cc-pCVDZ
 %%DATADIR%%/basis/aug-cc-pCVQZ
 %%DATADIR%%/basis/aug-cc-pCVTZ
 %%DATADIR%%/basis/aug-cc-pCVTZ-CTOCD-uc
 %%DATADIR%%/basis/aug-cc-pV(5+d)Z
 %%DATADIR%%/basis/aug-cc-pV(6+d)Z
 %%DATADIR%%/basis/aug-cc-pV(D+d)Z
 %%DATADIR%%/basis/aug-cc-pV(Q+d)Z
 %%DATADIR%%/basis/aug-cc-pV(T+d)Z
 %%DATADIR%%/basis/aug-cc-pV5Z
 %%DATADIR%%/basis/aug-cc-pV5Z-DK
 %%DATADIR%%/basis/aug-cc-pV5Z-RI
 %%DATADIR%%/basis/aug-cc-pV5Z_OPTRI
 %%DATADIR%%/basis/aug-cc-pV6Z
 %%DATADIR%%/basis/aug-cc-pV6Z-RI
 %%DATADIR%%/basis/aug-cc-pVDZ
 %%DATADIR%%/basis/aug-cc-pVDZ-DK
 %%DATADIR%%/basis/aug-cc-pVDZ-RI
 %%DATADIR%%/basis/aug-cc-pVDZ_OPTRI
 %%DATADIR%%/basis/aug-cc-pVQZ
 %%DATADIR%%/basis/aug-cc-pVQZ-DK
 %%DATADIR%%/basis/aug-cc-pVQZ-RI
 %%DATADIR%%/basis/aug-cc-pVQZ_OPTRI
 %%DATADIR%%/basis/aug-cc-pVTZ
 %%DATADIR%%/basis/aug-cc-pVTZ-DK
 %%DATADIR%%/basis/aug-cc-pVTZ-J
 %%DATADIR%%/basis/aug-cc-pVTZ-RI
 %%DATADIR%%/basis/aug-cc-pVTZ-lresc
 %%DATADIR%%/basis/aug-cc-pVTZ_OPTRI
 %%DATADIR%%/basis/aug-cc-pwCV5Z-RI
 %%DATADIR%%/basis/aug-cc-pwCVQZ-RI
 %%DATADIR%%/basis/aug-cc-pwCVTZ-RI
+%%DATADIR%%/basis/aug-ccJ-pVTZ
 %%DATADIR%%/basis/aug-pV7Z
 %%DATADIR%%/basis/aug-pc-0_emsl
 %%DATADIR%%/basis/aug-pc-1_emsl
 %%DATADIR%%/basis/aug-pc-2_emsl
 %%DATADIR%%/basis/aug-pc-3_emsl
 %%DATADIR%%/basis/aug-pc-4_emsl
+%%DATADIR%%/basis/aug-pcH-1
+%%DATADIR%%/basis/aug-pcH-2
+%%DATADIR%%/basis/aug-pcH-3
+%%DATADIR%%/basis/aug-pcH-4
+%%DATADIR%%/basis/aug-pcJ-0
+%%DATADIR%%/basis/aug-pcJ-1
+%%DATADIR%%/basis/aug-pcJ-2
+%%DATADIR%%/basis/aug-pcJ-3
+%%DATADIR%%/basis/aug-pcJ-4
 %%DATADIR%%/basis/aug-pcseg-0
 %%DATADIR%%/basis/aug-pcseg-1
 %%DATADIR%%/basis/aug-pcseg-2
 %%DATADIR%%/basis/aug-pcseg-3
 %%DATADIR%%/basis/aug-pcseg-4
 %%DATADIR%%/basis/aug_cc_pv5z_pp
 %%DATADIR%%/basis/aug_cc_pvdz_pp
 %%DATADIR%%/basis/aug_cc_pvqz_pp
 %%DATADIR%%/basis/aug_cc_pvtz_pp
 %%DATADIR%%/basis/cc-pCV5Z
 %%DATADIR%%/basis/cc-pCVDZ
 %%DATADIR%%/basis/cc-pCVQZ
 %%DATADIR%%/basis/cc-pCVTZ
 %%DATADIR%%/basis/cc-pV(5+d)Z
 %%DATADIR%%/basis/cc-pV(6+d)Z
 %%DATADIR%%/basis/cc-pV(D+d)Z
 %%DATADIR%%/basis/cc-pV(Q+d)Z
 %%DATADIR%%/basis/cc-pV(T+d)Z
 %%DATADIR%%/basis/cc-pV5Z
 %%DATADIR%%/basis/cc-pV5Z-DK
 %%DATADIR%%/basis/cc-pV5Z-RI
 %%DATADIR%%/basis/cc-pV5Zdenfit
 %%DATADIR%%/basis/cc-pV6Z
 %%DATADIR%%/basis/cc-pV6Z-RI
 %%DATADIR%%/basis/cc-pVDZ
 %%DATADIR%%/basis/cc-pVDZ-DK
 %%DATADIR%%/basis/cc-pVDZ-F12
 %%DATADIR%%/basis/cc-pVDZ-F12_OPTRI
 %%DATADIR%%/basis/cc-pVDZ-RI
 %%DATADIR%%/basis/cc-pVDZ-uncontracted
 %%DATADIR%%/basis/cc-pVDZ_emsl
 %%DATADIR%%/basis/cc-pVQZ
 %%DATADIR%%/basis/cc-pVQZ-DK
 %%DATADIR%%/basis/cc-pVQZ-F12
 %%DATADIR%%/basis/cc-pVQZ-F12_OPTRI
 %%DATADIR%%/basis/cc-pVQZ-RI
 %%DATADIR%%/basis/cc-pVQZdenfit
 %%DATADIR%%/basis/cc-pVTZ
 %%DATADIR%%/basis/cc-pVTZ-DK
 %%DATADIR%%/basis/cc-pVTZ-F12
 %%DATADIR%%/basis/cc-pVTZ-F12_OPTRI
 %%DATADIR%%/basis/cc-pVTZ-RI
 %%DATADIR%%/basis/cc-pVTZ_apra
 %%DATADIR%%/basis/cc-pVTZ_emsl
 %%DATADIR%%/basis/cc-pVTZdenfit
 %%DATADIR%%/basis/cc-pwCV5Z
 %%DATADIR%%/basis/cc-pwCV5Z-DK
 %%DATADIR%%/basis/cc-pwCVDZ
 %%DATADIR%%/basis/cc-pwCVQZ
 %%DATADIR%%/basis/cc-pwCVQZ-DK
 %%DATADIR%%/basis/cc-pwCVTZ
 %%DATADIR%%/basis/cc-pwCVTZ-DK
+%%DATADIR%%/basis/ccJ-pV5Z
+%%DATADIR%%/basis/ccJ-pVDZ
+%%DATADIR%%/basis/ccJ-pVQZ
+%%DATADIR%%/basis/ccJ-pVTZ
 %%DATADIR%%/basis/cc_pv5z_pp
 %%DATADIR%%/basis/cc_pvdz_pp
 %%DATADIR%%/basis/cc_pvqz_pp
 %%DATADIR%%/basis/cc_pvtz_pp
 %%DATADIR%%/basis/cc_pwcv5z_pp
 %%DATADIR%%/basis/cc_pwcvdz_pp
 %%DATADIR%%/basis/cc_pwcvqz_pp
 %%DATADIR%%/basis/cc_pwcvtz_pp
 %%DATADIR%%/basis/crenbl_ecp
 %%DATADIR%%/basis/crenbs_ecp
 %%DATADIR%%/basis/def2_qzvp
 %%DATADIR%%/basis/def2_qzvpp
 %%DATADIR%%/basis/def2_sv_p
 %%DATADIR%%/basis/def2_svp
 %%DATADIR%%/basis/def2_tzvp
+%%DATADIR%%/basis/def2_tzvpd
 %%DATADIR%%/basis/def2_tzvpp
 %%DATADIR%%/basis/df-def2
+%%DATADIR%%/basis/diffs
 %%DATADIR%%/basis/dzq
 %%DATADIR%%/basis/ecp-sdd-DZ
 %%DATADIR%%/basis/ecp_data/aug_cc_pv5z_pp
 %%DATADIR%%/basis/ecp_data/aug_cc_pvdz_pp
 %%DATADIR%%/basis/ecp_data/aug_cc_pvqz_pp
 %%DATADIR%%/basis/ecp_data/aug_cc_pvtz_pp
 %%DATADIR%%/basis/ecp_data/cc_pv5z_pp
 %%DATADIR%%/basis/ecp_data/cc_pvdz_pp
 %%DATADIR%%/basis/ecp_data/cc_pvqz_pp
 %%DATADIR%%/basis/ecp_data/cc_pvtz_pp
 %%DATADIR%%/basis/ecp_data/cc_pwcv5z_pp
 %%DATADIR%%/basis/ecp_data/cc_pwcvdz_pp
 %%DATADIR%%/basis/ecp_data/cc_pwcvqz_pp
 %%DATADIR%%/basis/ecp_data/cc_pwcvtz_pp
 %%DATADIR%%/basis/ecp_data/crenbl_ecp
 %%DATADIR%%/basis/ecp_data/crenbs_ecp
 %%DATADIR%%/basis/ecp_data/def2_qzvp
 %%DATADIR%%/basis/ecp_data/def2_qzvpp
 %%DATADIR%%/basis/ecp_data/def2_sv_p
 %%DATADIR%%/basis/ecp_data/def2_svp
 %%DATADIR%%/basis/ecp_data/def2_tzvp
+%%DATADIR%%/basis/ecp_data/def2_tzvpd_pp
 %%DATADIR%%/basis/ecp_data/def2_tzvpp
 %%DATADIR%%/basis/ecp_data/dzq
 %%DATADIR%%/basis/ecp_data/ecp-sdd-DZ
 %%DATADIR%%/basis/ecp_data/hay_wadt_mb_n1_ecp
 %%DATADIR%%/basis/ecp_data/hay_wadt_vdz_n1_ecp
 %%DATADIR%%/basis/ecp_data/lanl08
 %%DATADIR%%/basis/ecp_data/lanl08_f
 %%DATADIR%%/basis/ecp_data/lanl08_p
 %%DATADIR%%/basis/ecp_data/lanl08d
 %%DATADIR%%/basis/ecp_data/lanl2dz_ecp
 %%DATADIR%%/basis/ecp_data/lanl2dzdp_ecp
 %%DATADIR%%/basis/ecp_data/lanl2tz
 %%DATADIR%%/basis/ecp_data/lanl2tz_f
 %%DATADIR%%/basis/ecp_data/lanl2tz_p
 %%DATADIR%%/basis/ecp_data/modified_lanl2dz
+%%DATADIR%%/basis/ecp_data/pe_pp
 %%DATADIR%%/basis/ecp_data/sbkjc_polarized_p_2d_lfk
 %%DATADIR%%/basis/ecp_data/sbkjc_vdz_ecp
 %%DATADIR%%/basis/ecp_data/sdb_aug_cc_pvqz
 %%DATADIR%%/basis/ecp_data/sdb_aug_cc_pvtz
 %%DATADIR%%/basis/ecp_data/sdb_cc_pvqz
 %%DATADIR%%/basis/ecp_data/sdb_cc_pvtz
 %%DATADIR%%/basis/ecp_data/stuttgart_rlc_ecp
 %%DATADIR%%/basis/ecp_data/stuttgart_rsc_1997_ecp
 %%DATADIR%%/basis/ecp_data/stuttgart_rsc_ano_ecp
 %%DATADIR%%/basis/ecp_data/stuttgart_rsc_segmented_ecp
 %%DATADIR%%/basis/hay_wadt_mb_n1_ecp
 %%DATADIR%%/basis/hay_wadt_vdz_n1_ecp
 %%DATADIR%%/basis/lanl08
 %%DATADIR%%/basis/lanl08_f
 %%DATADIR%%/basis/lanl08_p
 %%DATADIR%%/basis/lanl08d
 %%DATADIR%%/basis/lanl2dz_ecp
 %%DATADIR%%/basis/lanl2dzdp_ecp
 %%DATADIR%%/basis/lanl2tz
 %%DATADIR%%/basis/lanl2tz_f
 %%DATADIR%%/basis/lanl2tz_p
 %%DATADIR%%/basis/loprop-6-31+G*
 %%DATADIR%%/basis/loprop-6-31G*
 %%DATADIR%%/basis/loprop-aug-cc-pVDZ
 %%DATADIR%%/basis/loprop-aug-cc-pVQZ
 %%DATADIR%%/basis/loprop-aug-cc-pVTZ
 %%DATADIR%%/basis/loprop-augx-cc-pVDZ
 %%DATADIR%%/basis/loprop-cc-pVDZ
 %%DATADIR%%/basis/loprop-cc-pVTZ
 %%DATADIR%%/basis/modified_lanl2dz
 %%DATADIR%%/basis/pV6Z
 %%DATADIR%%/basis/pV7Z
 %%DATADIR%%/basis/pc-0
 %%DATADIR%%/basis/pc-0_emsl
 %%DATADIR%%/basis/pc-1
 %%DATADIR%%/basis/pc-1_emsl
 %%DATADIR%%/basis/pc-2
 %%DATADIR%%/basis/pc-2_emsl
 %%DATADIR%%/basis/pc-3
 %%DATADIR%%/basis/pc-3_emsl
 %%DATADIR%%/basis/pc-4
 %%DATADIR%%/basis/pc-4_emsl
+%%DATADIR%%/basis/pcH-1
+%%DATADIR%%/basis/pcH-2
+%%DATADIR%%/basis/pcH-3
+%%DATADIR%%/basis/pcH-4
+%%DATADIR%%/basis/pcJ-0
+%%DATADIR%%/basis/pcJ-1
+%%DATADIR%%/basis/pcJ-2
+%%DATADIR%%/basis/pcJ-3
+%%DATADIR%%/basis/pcJ-4
 %%DATADIR%%/basis/pcS-0
 %%DATADIR%%/basis/pcS-1
 %%DATADIR%%/basis/pcS-2
 %%DATADIR%%/basis/pcS-3
 %%DATADIR%%/basis/pcS-4
 %%DATADIR%%/basis/pcseg-0
 %%DATADIR%%/basis/pcseg-1
 %%DATADIR%%/basis/pcseg-2
 %%DATADIR%%/basis/pcseg-3
 %%DATADIR%%/basis/pcseg-4
 %%DATADIR%%/basis/raf-r
 %%DATADIR%%/basis/sbkjc_polarized_p_2d_lfk
 %%DATADIR%%/basis/sbkjc_vdz_ecp
 %%DATADIR%%/basis/sdb_aug_cc_pvqz
 %%DATADIR%%/basis/sdb_aug_cc_pvtz
 %%DATADIR%%/basis/sdb_cc_pvqz
 %%DATADIR%%/basis/sdb_cc_pvtz
 %%DATADIR%%/basis/stuttgart_rlc_ecp
 %%DATADIR%%/basis/stuttgart_rsc_1997_ecp
 %%DATADIR%%/basis/stuttgart_rsc_ano_ecp
 %%DATADIR%%/basis/stuttgart_rsc_segmented_ecp
 %%DATADIR%%/basis/testbasis
 %%DATADIR%%/basis/transformformattetBasistoFreeFormat.f90
 %%DATADIR%%/tools/FChk2HES
 %%DATADIR%%/tools/aces2dalton
 %%DATADIR%%/tools/distances
 %%DATADIR%%/tools/labread
 %%DATADIR%%/tools/xyz2dalton