diff --git a/science/erkale-pseudopotentials/Makefile b/science/erkale-pseudopotentials/Makefile index 9b94b990b096..306625934fcb 100644 --- a/science/erkale-pseudopotentials/Makefile +++ b/science/erkale-pseudopotentials/Makefile @@ -1,26 +1,26 @@ # $FreeBSD$ PORTNAME= erkale-pseudopotentials -DISTVERSION= g20190114 +DISTVERSION= g20200426 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= 0c285c1 +GH_TAGNAME= 870e772f09631b3dbdd99a18e4f3d4786d684a01 NO_BUILD= yes NO_ARCH= yes DATADIR= ${LOCALBASE}/share/erkale do-install: @cd ${WRKSRC} && ${COPYTREE_SHARE} basis ${STAGEDIR}${DATADIR} .include diff --git a/science/erkale-pseudopotentials/distinfo b/science/erkale-pseudopotentials/distinfo index bf3630ed2c18..9ad3d439c3e1 100644 --- a/science/erkale-pseudopotentials/distinfo +++ b/science/erkale-pseudopotentials/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1547713662 -SHA256 (susilehtola-erkale-g20190114-0c285c1_GH0.tar.gz) = ac8703a7f56caf06a887dfb082b7dda896637f52279305e0ea3a606733af74f3 -SIZE (susilehtola-erkale-g20190114-0c285c1_GH0.tar.gz) = 111334148 +TIMESTAMP = 1588805010 +SHA256 (susilehtola-erkale-g20200426-870e772f09631b3dbdd99a18e4f3d4786d684a01_GH0.tar.gz) = ea0fc3a75e669a0e90aaa7940bc0c7e3b3b7a8a38e1a898595e1fe9cf2ab6f72 +SIZE (susilehtola-erkale-g20200426-870e772f09631b3dbdd99a18e4f3d4786d684a01_GH0.tar.gz) = 42824841 diff --git a/science/erkale-pseudopotentials/pkg-plist b/science/erkale-pseudopotentials/pkg-plist index 7d85269064e1..b3ac8d648bf2 100644 --- a/science/erkale-pseudopotentials/pkg-plist +++ b/science/erkale-pseudopotentials/pkg-plist @@ -1,282 +1,295 @@ %%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/ANO-RCC.gbs %%DATADIR%%/basis/AQZP.gbs %%DATADIR%%/basis/ATZP.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/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/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