Date: Wed, 21 Nov 2018 22:37:49 +0000 (UTC) From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r485565 - head/science/quantum-espresso Message-ID: <201811212237.wALMbnG3023620@repo.freebsd.org>
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Author: yuri Date: Wed Nov 21 22:37:49 2018 New Revision: 485565 URL: https://svnweb.freebsd.org/changeset/ports/485565 Log: science/quantum-espresso: Remove pseudopotentials A more complete set of pseudopotentials is now in the separate port science/quantum-espresso-pseudopotentials that normally needs to be installed in addition to this port. Modified: head/science/quantum-espresso/Makefile head/science/quantum-espresso/distinfo head/science/quantum-espresso/pkg-descr head/science/quantum-espresso/pkg-plist Modified: head/science/quantum-espresso/Makefile ============================================================================== --- head/science/quantum-espresso/Makefile Wed Nov 21 22:34:45 2018 (r485564) +++ head/science/quantum-espresso/Makefile Wed Nov 21 22:37:49 2018 (r485565) @@ -3,11 +3,8 @@ PORTNAME= quantum-espresso DISTVERSIONPREFIX= qe- DISTVERSION= 6.3 -PORTREVISION= 3 +PORTREVISION= 4 CATEGORIES= science -MASTER_SITES= http://www.quantum-espresso.org/wp-content/uploads/upf_files/:pp -DIST_SUBDIR= ${PORTNAME} -EXTRACT_ONLY= ${DISTNAME}${EXTRACT_SUFX} MAINTAINER= yuri@FreeBSD.org COMMENT= Package for research in electronic structure, simulation, optimization @@ -35,21 +32,6 @@ LDFLAGS+= ${LOCALBASE}/lib/gcc${GCC_DEFAULT}/libgfortr MAKE_JOBS_UNSAFE= yes # https://github.com/QEF/q-e/issues/9 -# pseudo potentials used in calculations -PSEUDO_LIST= Al.pbe-n-rrkjus_psl.0.1.UPF Al.pbe-n-van.UPF Al.pbe-rrkj.UPF Al.pz-vbc.UPF As.pz-bhs.UPF Au.rel-pz-kjpaw.UPF \ - B.pbe-n-kjpaw_psl.0.1.UPF B.pbe-n-kjpaw_psl.0.1.upf B.pz-vbc.UPF C.pbe-hgh.UPF C.pbe-n-rrkjus_psl.0.1.UPF C.pbe-rrkjus.UPF \ - C.pz-kjpaw.UPF C.pz-rrkjus.UPF C.pz-van_ak.UPF C.pz-vbc.UPF C.tpss-mt.UPF Co.pbe-nd-rrkjus.UPF Cu.pbe-kjpaw.UPF \ - Cu.pz-d-rrkjus.UPF Fe.pz-nd-rrkjus.UPF Fe.rel-pbe-kjpaw.UPF Fe.rel-pbe-spn-rrkjus_psl.0.2.1.UPF H.blyp-vbc.UPF H.pbe-kjpaw.UPF \ - H.pbe-rrkjus.UPF H.pbe-van_ak.UPF H.pz-kjpaw.UPF H.pz-vbc.UPF H.tpss-mt.UPF Mg.pbe-n-kjpaw_psl.0.3.0.upf \ - Mg.pz-n-vbc.UPF N.blyp-mt.UPF N.pbe-kjpaw.UPF N.pbe-n-kjpaw_psl.0.1.UPF N.pz-vbc.UPF Ni.pbe-nd-rrkjus.UPF Ni.pz-nd-rrkjus.UPF \ - O.blyp-mt.UPF O.pbe-hgh.UPF O.pbe-kjpaw.UPF O.pbe-rrkjus.UPF O.pbe-van_ak.UPF O.pz-rrkjus.UPF O.pz-van_ak.UPF \ - Pb.pz-d-van.UPF Pt.rel-pz-n-rrkjus.UPF Si.pbe-rrkj.UPF \ - Si.pz-vbc.UPF Ti.pz-sp-van_ak.UPF Zn.pbe-d-hgh.UPF - -.for pp in ${PSEUDO_LIST} -DISTFILES+= ${pp}:pp -.endfor - post-extract: @${RM} ${WRKSRC}/archive/lapack-3.6.1.tgz @cd ${WRKSRC} && ${MKDIR} FoX && ${LN} -s ${LOCALBASE}/include FoX/finclude @@ -60,12 +42,6 @@ pre-build: s|LD *=.*|LD=${CC}| ; \ s|LAPACK_LIBS *=.*|LAPACK_LIBS=-L${LOCALBASE}/lib -llapack -lblas|' \ ${WRKSRC}/make.inc - -post-install: - cd ${WRKSRC} && ${COPYTREE_SHARE} pseudo ${STAGEDIR}${DATADIR} -.for pp in ${PSEUDO_LIST} - ${INSTALL_DATA} ${DISTDIR}/${DIST_SUBDIR}/${pp} ${STAGEDIR}${DATADIR}/pseudo -.endfor run-examples: build .for c in PP PW PWCOND PHonon Modified: head/science/quantum-espresso/distinfo ============================================================================== --- head/science/quantum-espresso/distinfo Wed Nov 21 22:34:45 2018 (r485564) +++ head/science/quantum-espresso/distinfo Wed Nov 21 22:37:49 2018 (r485565) @@ -1,105 +1,3 @@ -TIMESTAMP = 1531987435 -SHA256 (quantum-espresso/Al.pbe-n-rrkjus_psl.0.1.UPF) = e6383326bb555b9e600482da0521010c2c5b43baa0e936bbaf4f18ac6e1ecd4b -SIZE (quantum-espresso/Al.pbe-n-rrkjus_psl.0.1.UPF) = 655831 -SHA256 (quantum-espresso/Al.pbe-n-van.UPF) = d821dcac092e3293c6073b97f86ccd88aabf15fef2805dc653d21861ce6d46d6 -SIZE (quantum-espresso/Al.pbe-n-van.UPF) = 225680 -SHA256 (quantum-espresso/Al.pbe-rrkj.UPF) = b88c359956a76fb0a31a52fcfecc2e69e3e48eab6be8b1fb7bd6adb75ebdf88a -SIZE (quantum-espresso/Al.pbe-rrkj.UPF) = 187109 -SHA256 (quantum-espresso/Al.pz-vbc.UPF) = abdcda76be0d4b84660c341d65ef7f81e86120c55f204773f43716eaf7dd0597 -SIZE (quantum-espresso/Al.pz-vbc.UPF) = 30965 -SHA256 (quantum-espresso/As.pz-bhs.UPF) = 48eb18ad4cb120cd713bb8eb233032635adb533a9d62d1e004e996dcc5db4b6f -SIZE (quantum-espresso/As.pz-bhs.UPF) = 90409 -SHA256 (quantum-espresso/Au.rel-pz-kjpaw.UPF) = 9970368fc49faf0493af581305c0a9c6f8f71b79be7220b91f82a5f2e42ff9c2 -SIZE (quantum-espresso/Au.rel-pz-kjpaw.UPF) = 4707624 -SHA256 (quantum-espresso/B.pbe-n-kjpaw_psl.0.1.UPF) = 3ad4ee7da5af01a9decf6a85e18dffd8377dbd151ebdefad50c28d04b56dd944 -SIZE (quantum-espresso/B.pbe-n-kjpaw_psl.0.1.UPF) = 867120 -SHA256 (quantum-espresso/B.pbe-n-kjpaw_psl.0.1.upf) = 696141a0089f9b1d9d917482b63b7f014ef7c1427751ce88b623892cd61621ac -SIZE (quantum-espresso/B.pbe-n-kjpaw_psl.0.1.upf) = 892688 -SHA256 (quantum-espresso/B.pz-vbc.UPF) = 95779e35b3c8cad756d1732717e8686b69423f386e11746a95885a4c019611e5 -SIZE (quantum-espresso/B.pz-vbc.UPF) = 25094 -SHA256 (quantum-espresso/C.pbe-hgh.UPF) = 246a1ca7a1a28c3b5cc2fdac6aa56f253f6b6e8355754b56b3866ea34117597e -SIZE (quantum-espresso/C.pbe-hgh.UPF) = 181501 -SHA256 (quantum-espresso/C.pbe-n-rrkjus_psl.0.1.UPF) = a453701a6e8848b8c251f2b4e37ee417464167ac3ef7083a87289a5f20d0be73 -SIZE (quantum-espresso/C.pbe-n-rrkjus_psl.0.1.UPF) = 620210 -SHA256 (quantum-espresso/C.pbe-rrkjus.UPF) = 0c08db0ee4144376d1a39e7115c06f2d03a7e582c61b51d040fb24e5afae55c8 -SIZE (quantum-espresso/C.pbe-rrkjus.UPF) = 264543 -SHA256 (quantum-espresso/C.pz-kjpaw.UPF) = 8fae2ccf3cd200aa705e38a94212c9c1938e8da5e20805e08aec58799e6b4780 -SIZE (quantum-espresso/C.pz-kjpaw.UPF) = 877516 -SHA256 (quantum-espresso/C.pz-rrkjus.UPF) = be79776ff404a150fd6c460442a87e3271abd76b46710a58dc694398fc9812f6 -SIZE (quantum-espresso/C.pz-rrkjus.UPF) = 598852 -SHA256 (quantum-espresso/C.pz-van_ak.UPF) = 797732b26f20ca440b0220058208ca11772a75838204c62b57fcea810f4be623 -SIZE (quantum-espresso/C.pz-van_ak.UPF) = 314687 -SHA256 (quantum-espresso/C.pz-vbc.UPF) = 7992e464b74b9bde22ff54aa9fe545d19d36f3166a8ed66feee1ecfd2f168370 -SIZE (quantum-espresso/C.pz-vbc.UPF) = 41521 -SHA256 (quantum-espresso/C.tpss-mt.UPF) = 3ceb9276066a1423c63c94404bc486dce0d19a1cbc092ea66b712ab5a35fb874 -SIZE (quantum-espresso/C.tpss-mt.UPF) = 291881 -SHA256 (quantum-espresso/Co.pbe-nd-rrkjus.UPF) = 9c1aec72bcfaab05020c0f86658cf15c96caa4331ae0e2a8ef0b311c88e31c98 -SIZE (quantum-espresso/Co.pbe-nd-rrkjus.UPF) = 699493 -SHA256 (quantum-espresso/Cu.pbe-kjpaw.UPF) = 2afebda580edbf8844a74b866b1353ab6e3ddf43d5ea951d5b568c63add76701 -SIZE (quantum-espresso/Cu.pbe-kjpaw.UPF) = 1789238 -SHA256 (quantum-espresso/Cu.pz-d-rrkjus.UPF) = 090aa9e20ba370f44274426c1fe495651008b2eb35ea372723698aa817eedf32 -SIZE (quantum-espresso/Cu.pz-d-rrkjus.UPF) = 286294 -SHA256 (quantum-espresso/Fe.pz-nd-rrkjus.UPF) = 1c853de78ae2f043a2ba8f662df8fd525643ae6220d6572eafdee3897fa0af15 -SIZE (quantum-espresso/Fe.pz-nd-rrkjus.UPF) = 694181 -SHA256 (quantum-espresso/Fe.rel-pbe-kjpaw.UPF) = 870765ad0e4cd3d66e122501c6ad2c4eca4c2e5254abcb5bcc9dc8a6f3fd9377 -SIZE (quantum-espresso/Fe.rel-pbe-kjpaw.UPF) = 4384522 -SHA256 (quantum-espresso/Fe.rel-pbe-spn-rrkjus_psl.0.2.1.UPF) = eb23ef3571007688825da89ce5537027ba8d0964c0f7843b3e750acaaa9a6927 -SIZE (quantum-espresso/Fe.rel-pbe-spn-rrkjus_psl.0.2.1.UPF) = 3544728 -SHA256 (quantum-espresso/H.blyp-vbc.UPF) = 47d849794a8994de9b8440647c7e6e71f84381629ad52faccd3faacd7067f395 -SIZE (quantum-espresso/H.blyp-vbc.UPF) = 27148 -SHA256 (quantum-espresso/H.pbe-kjpaw.UPF) = 3dff2b910b26915af44a0849cb7527c9c6e4bc527edcc4050c6ab4056bb01b66 -SIZE (quantum-espresso/H.pbe-kjpaw.UPF) = 358416 -SHA256 (quantum-espresso/H.pbe-rrkjus.UPF) = b64f0a8e779bd6db8b410f8c5da54fa34937c29900fce85e55ac5f65934002c0 -SIZE (quantum-espresso/H.pbe-rrkjus.UPF) = 222807 -SHA256 (quantum-espresso/H.pbe-van_ak.UPF) = 82f0ee7fdde3d7c04e4f8572d875e5dbec1055c98f94af775222b2e7ac9bcf67 -SIZE (quantum-espresso/H.pbe-van_ak.UPF) = 92007 -SHA256 (quantum-espresso/H.pz-kjpaw.UPF) = 2acba6a4555a8cc0f40969a2bebcd08a99a57678a5e418f2fa206dd92de957cd -SIZE (quantum-espresso/H.pz-kjpaw.UPF) = 380854 -SHA256 (quantum-espresso/H.pz-vbc.UPF) = 276df5e2b539794b523556fff68844b6fbc8c77af6ca692d963d405b968e551c -SIZE (quantum-espresso/H.pz-vbc.UPF) = 15463 -SHA256 (quantum-espresso/H.tpss-mt.UPF) = dd98b6300b741e2a7946b7df89a3383ae56e53916da17b3b3555b6214d04627f -SIZE (quantum-espresso/H.tpss-mt.UPF) = 133993 -SHA256 (quantum-espresso/Mg.pbe-n-kjpaw_psl.0.3.0.upf) = be0c1a2c5fc4d2e2abc9feadf6583f7ba66237eed65809519f82a9d09b902100 -SIZE (quantum-espresso/Mg.pbe-n-kjpaw_psl.0.3.0.upf) = 1006127 -SHA256 (quantum-espresso/Mg.pz-n-vbc.UPF) = b10ffa003378a6ba74f08ea67e8c5b8ee59f95d8e0b91137ebc0ccb23def184c -SIZE (quantum-espresso/Mg.pz-n-vbc.UPF) = 34577 -SHA256 (quantum-espresso/N.blyp-mt.UPF) = b0b28b04fe5356f529b9076d0083045661b30a0584293dc4c53315b2e97f812d -SIZE (quantum-espresso/N.blyp-mt.UPF) = 43125 -SHA256 (quantum-espresso/N.pbe-kjpaw.UPF) = 3f54d6986e00d7e7beaa44febc1411f053489aaf99fa6bb3ead79eeb8771ed42 -SIZE (quantum-espresso/N.pbe-kjpaw.UPF) = 887375 -SHA256 (quantum-espresso/N.pbe-n-kjpaw_psl.0.1.UPF) = f44c02a58889cd9274629d587ff8d6bde57d6b66dd387de90491d689719b6ec9 -SIZE (quantum-espresso/N.pbe-n-kjpaw_psl.0.1.UPF) = 887808 -SHA256 (quantum-espresso/N.pz-vbc.UPF) = 4d8ee0f80e3413021ba1129e995434ff71735377875d9a410727f830558b65cc -SIZE (quantum-espresso/N.pz-vbc.UPF) = 25650 -SHA256 (quantum-espresso/Ni.pbe-nd-rrkjus.UPF) = 3c198bef978b089624773f8a1b1c37e2bb5207976cd8e10ef8e5a1d8cf95ed9c -SIZE (quantum-espresso/Ni.pbe-nd-rrkjus.UPF) = 874562 -SHA256 (quantum-espresso/Ni.pz-nd-rrkjus.UPF) = 8f936821f85af91de05a161963557d2a0161cdbc0d10ac7aa5e4a6ac4d8e2482 -SIZE (quantum-espresso/Ni.pz-nd-rrkjus.UPF) = 875828 -SHA256 (quantum-espresso/O.blyp-mt.UPF) = 2b80306dd0a9da4a6bcb3634071e7a534003aac7c9853b758f5dc005cd4ba9f6 -SIZE (quantum-espresso/O.blyp-mt.UPF) = 43682 -SHA256 (quantum-espresso/O.pbe-hgh.UPF) = c807b76d586e820107ee96f968c3c096c14c5b6b41bbbda867d25675658ea0bd -SIZE (quantum-espresso/O.pbe-hgh.UPF) = 185081 -SHA256 (quantum-espresso/O.pbe-kjpaw.UPF) = 2b6ba2a535fad72e0dd8046da3f14876a13829f33e398447fc366012bd7b8999 -SIZE (quantum-espresso/O.pbe-kjpaw.UPF) = 896088 -SHA256 (quantum-espresso/O.pbe-rrkjus.UPF) = eb99ed77e1be5beba915844dce6ee9ebd0367f3c576481c0629daefc7b7fe3ce -SIZE (quantum-espresso/O.pbe-rrkjus.UPF) = 535524 -SHA256 (quantum-espresso/O.pbe-van_ak.UPF) = a8a0f32d7de4c5ffa8bff05668686efa65146dd4ed35491a26438cd0cd7a483d -SIZE (quantum-espresso/O.pbe-van_ak.UPF) = 320932 -SHA256 (quantum-espresso/O.pz-rrkjus.UPF) = 03a207c38004c24700cefbf94095712773fe6637fa09e8b5e8098a185be652a0 -SIZE (quantum-espresso/O.pz-rrkjus.UPF) = 535553 -SHA256 (quantum-espresso/O.pz-van_ak.UPF) = 4a11db792495911243ab383c0a87929c6868b48d5f5c6c0998e64e0cc66f2f07 -SIZE (quantum-espresso/O.pz-van_ak.UPF) = 320910 -SHA256 (quantum-espresso/Pb.pz-d-van.UPF) = c109fbcdf9bb3c0b672a1c220736828264ac146608e0e03006a7a963be5fbe5b -SIZE (quantum-espresso/Pb.pz-d-van.UPF) = 690089 -SHA256 (quantum-espresso/Pt.rel-pz-n-rrkjus.UPF) = 4a9f6db9f7db4637c02f3f70be4232da2510dcbd2bf4937730480ad588419db9 -SIZE (quantum-espresso/Pt.rel-pz-n-rrkjus.UPF) = 1004057 -SHA256 (quantum-espresso/Si.pbe-rrkj.UPF) = dd02f43ca9960121b0dbebe327c662a0e3ee2d132884367d864fec874418df78 -SIZE (quantum-espresso/Si.pbe-rrkj.UPF) = 169137 -SHA256 (quantum-espresso/Si.pz-vbc.UPF) = da7386b1345863effd34d47c07894a620d12e87069a009b5eaa2a88da7ea8105 -SIZE (quantum-espresso/Si.pz-vbc.UPF) = 74554 -SHA256 (quantum-espresso/Ti.pz-sp-van_ak.UPF) = 24c96f1e6cff9632a2fd40bb4b87e8a916356cde4c665c90f4a005d192813c2a -SIZE (quantum-espresso/Ti.pz-sp-van_ak.UPF) = 659900 -SHA256 (quantum-espresso/Zn.pbe-d-hgh.UPF) = 31c9337a5cf74640021731eecad07f8b6205046ddb8cd1a6a54979fc89a3c7ad -SIZE (quantum-espresso/Zn.pbe-d-hgh.UPF) = 376033 -SHA256 (quantum-espresso/QEF-q-e-qe-6.3_GH0.tar.gz) = 4067c8fffa957aabbd5cf2439e2fcb6cf3752325393c67a17d99fd09edf8689c -SIZE (quantum-espresso/QEF-q-e-qe-6.3_GH0.tar.gz) = 86418701 +TIMESTAMP = 1542825256 +SHA256 (QEF-q-e-qe-6.3_GH0.tar.gz) = 4067c8fffa957aabbd5cf2439e2fcb6cf3752325393c67a17d99fd09edf8689c +SIZE (QEF-q-e-qe-6.3_GH0.tar.gz) = 86418701 Modified: head/science/quantum-espresso/pkg-descr ============================================================================== --- head/science/quantum-espresso/pkg-descr Wed Nov 21 22:34:45 2018 (r485564) +++ head/science/quantum-espresso/pkg-descr Wed Nov 21 22:37:49 2018 (r485565) @@ -11,4 +11,7 @@ active in the field of electronic-structure calculatio participate in the project by contributing their own codes or by implementing their own ideas into existing codes. +You probably also need to install the Quantum ESPRESSO pseudopotentials library: +quantum-espresso-pseudopotentials (science/quantum-espresso-pseudopotentials). + WWW: https://www.quantum-espresso.org/ Modified: head/science/quantum-espresso/pkg-plist ============================================================================== --- head/science/quantum-espresso/pkg-plist Wed Nov 21 22:34:45 2018 (r485564) +++ head/science/quantum-espresso/pkg-plist Wed Nov 21 22:37:49 2018 (r485565) @@ -87,66 +87,3 @@ bin/wannier_plot.x bin/wfck2r.x bin/wfdd.x bin/xspectra.x -%%DATADIR%%/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF -%%DATADIR%%/pseudo/Al.pbe-n-van.UPF -%%DATADIR%%/pseudo/Al.pbe-rrkj.UPF -%%DATADIR%%/pseudo/Al.pz-vbc.UPF -%%DATADIR%%/pseudo/As.pz-bhs.UPF -%%DATADIR%%/pseudo/Au.pz-rrkjus_aewfc.UPF -%%DATADIR%%/pseudo/Au.rel-pz-kjpaw.UPF -%%DATADIR%%/pseudo/B.pbe-n-kjpaw_psl.0.1.UPF -%%DATADIR%%/pseudo/B.pbe-n-kjpaw_psl.0.1.upf -%%DATADIR%%/pseudo/B.pz-vbc.UPF -%%DATADIR%%/pseudo/C.pbe-hgh.UPF -%%DATADIR%%/pseudo/C.pbe-n-rrkjus_psl.0.1.UPF -%%DATADIR%%/pseudo/C.pbe-rrkjus.UPF -%%DATADIR%%/pseudo/C.pz-kjpaw.UPF -%%DATADIR%%/pseudo/C.pz-rrkjus.UPF -%%DATADIR%%/pseudo/C.pz-van_ak.UPF -%%DATADIR%%/pseudo/C.pz-vbc.UPF -%%DATADIR%%/pseudo/C.tpss-mt.UPF -%%DATADIR%%/pseudo/Co.pbe-nd-rrkjus.UPF -%%DATADIR%%/pseudo/CorelUSPBE.RRKJ3.UPF -%%DATADIR%%/pseudo/Cu.pbe-kjpaw.UPF -%%DATADIR%%/pseudo/Cu.pz-d-rrkjus.UPF -%%DATADIR%%/pseudo/Fe.pz-nd-rrkjus.UPF -%%DATADIR%%/pseudo/Fe.rel-pbe-kjpaw.UPF -%%DATADIR%%/pseudo/Fe.rel-pbe-spn-rrkjus_psl.0.2.1.UPF -%%DATADIR%%/pseudo/H.blyp-vbc.UPF -%%DATADIR%%/pseudo/H.pbe-kjpaw.UPF -%%DATADIR%%/pseudo/H.pbe-rrkjus.UPF -%%DATADIR%%/pseudo/H.pbe-van_ak.UPF -%%DATADIR%%/pseudo/H.pz-kjpaw.UPF -%%DATADIR%%/pseudo/H.pz-vbc.UPF -%%DATADIR%%/pseudo/H.tpss-mt.UPF -%%DATADIR%%/pseudo/HUSPBE.RRKJ3 -%%DATADIR%%/pseudo/H_US.van -%%DATADIR%%/pseudo/Mg.pbe-n-kjpaw_psl.0.3.0.upf -%%DATADIR%%/pseudo/Mg.pz-n-vbc.UPF -%%DATADIR%%/pseudo/N.blyp-mt.UPF -%%DATADIR%%/pseudo/N.pbe-kjpaw.UPF -%%DATADIR%%/pseudo/N.pbe-n-kjpaw_psl.0.1.UPF -%%DATADIR%%/pseudo/N.pz-vbc.UPF -%%DATADIR%%/pseudo/Ni.pbe-nd-rrkjus.UPF -%%DATADIR%%/pseudo/Ni.pz-nd-rrkjus.UPF -%%DATADIR%%/pseudo/Ni.rel-pbe-nd-rrkjus.UPF -%%DATADIR%%/pseudo/O.blyp-mt.UPF -%%DATADIR%%/pseudo/O.pbe-hgh.UPF -%%DATADIR%%/pseudo/O.pbe-kjpaw.UPF -%%DATADIR%%/pseudo/O.pbe-rrkjus.UPF -%%DATADIR%%/pseudo/O.pbe-van_ak.UPF -%%DATADIR%%/pseudo/O.pz-rrkjus.UPF -%%DATADIR%%/pseudo/O.pz-van_ak.UPF -%%DATADIR%%/pseudo/O_US.van -%%DATADIR%%/pseudo/Pb.pz-d-van.UPF -%%DATADIR%%/pseudo/Pt.rel-pbe-n-rrkjus.UPF -%%DATADIR%%/pseudo/Pt.rel-pz-n-rrkjus.UPF -%%DATADIR%%/pseudo/Rh.pbe-rrkjus_lb.UPF -%%DATADIR%%/pseudo/Rhs.pbe-rrkjus_lb.UPF -%%DATADIR%%/pseudo/Si.bhs -%%DATADIR%%/pseudo/Si.pbe-rrkj.UPF -%%DATADIR%%/pseudo/Si.pz-vbc.UPF -%%DATADIR%%/pseudo/Si.rel-pbe-rrkj.UPF -%%DATADIR%%/pseudo/Ti.pz-sp-van_ak.UPF -%%DATADIR%%/pseudo/Zn.pbe-d-hgh.UPF -%%DATADIR%%/pseudo/clean_ps
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