From owner-svn-ports-head@freebsd.org Sun Apr 5 01:17:50 2020 Return-Path: Delivered-To: svn-ports-head@mailman.nyi.freebsd.org Received: from mx1.freebsd.org (mx1.freebsd.org [IPv6:2610:1c1:1:606c::19:1]) by mailman.nyi.freebsd.org (Postfix) with ESMTP id 06D932A880C; Sun, 5 Apr 2020 01:17:50 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from mxrelay.nyi.freebsd.org (mxrelay.nyi.freebsd.org [IPv6:2610:1c1:1:606c::19:3]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits) server-signature RSA-PSS (4096 bits) client-signature RSA-PSS (4096 bits) client-digest SHA256) (Client CN "mxrelay.nyi.freebsd.org", Issuer "Let's Encrypt Authority X3" (verified OK)) by mx1.freebsd.org (Postfix) with ESMTPS id 48vwlK1wF0z4d2W; Sun, 5 Apr 2020 01:17:49 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from repo.freebsd.org (repo.freebsd.org [IPv6:2610:1c1:1:6068::e6a:0]) (using TLSv1.2 with cipher ECDHE-RSA-AES256-GCM-SHA384 (256/256 bits)) (Client did not present a certificate) by mxrelay.nyi.freebsd.org (Postfix) with ESMTPS id 6096C36BB; Sun, 5 Apr 2020 01:17:41 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from repo.freebsd.org ([127.0.1.37]) by repo.freebsd.org (8.15.2/8.15.2) with ESMTP id 0351Hf8g020075; Sun, 5 Apr 2020 01:17:41 GMT (envelope-from yuri@FreeBSD.org) Received: (from yuri@localhost) by repo.freebsd.org (8.15.2/8.15.2/Submit) id 0351HecW020071; Sun, 5 Apr 2020 01:17:40 GMT (envelope-from yuri@FreeBSD.org) Message-Id: <202004050117.0351HecW020071@repo.freebsd.org> X-Authentication-Warning: repo.freebsd.org: yuri set sender to yuri@FreeBSD.org using -f From: Yuri Victorovich Date: Sun, 5 Apr 2020 01:17:40 +0000 (UTC) To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r530734 - in head/science/octopus: . files X-SVN-Group: ports-head X-SVN-Commit-Author: yuri X-SVN-Commit-Paths: in head/science/octopus: . files X-SVN-Commit-Revision: 530734 X-SVN-Commit-Repository: ports MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit X-BeenThere: svn-ports-head@freebsd.org X-Mailman-Version: 2.1.29 Precedence: list List-Id: SVN commit messages for the ports tree for head List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , X-List-Received-Date: Sun, 05 Apr 2020 01:17:50 -0000 Author: yuri Date: Sun Apr 5 01:17:39 2020 New Revision: 530734 URL: https://svnweb.freebsd.org/changeset/ports/530734 Log: science/octopus: Update 8.4 -> 9.2 Added: head/science/octopus/files/patch-src_basic_varinfo__low.c (contents, props changed) Modified: head/science/octopus/Makefile head/science/octopus/distinfo head/science/octopus/pkg-descr head/science/octopus/pkg-plist Modified: head/science/octopus/Makefile ============================================================================== --- head/science/octopus/Makefile Sun Apr 5 00:16:44 2020 (r530733) +++ head/science/octopus/Makefile Sun Apr 5 01:17:39 2020 (r530734) @@ -1,10 +1,9 @@ # $FreeBSD$ PORTNAME= octopus -DISTVERSION= 8.4 -PORTREVISION= 3 +DISTVERSION= 9.2 CATEGORIES= science -MASTER_SITES= https://octopus-code.org/down.php?file=${DISTVERSION}/ +MASTER_SITES= https://octopus-code.org/download/${DISTVERSION}/ MAINTAINER= yuri@FreeBSD.org COMMENT= Scientific program aimed at the ab initio virtual experimentation @@ -27,7 +26,8 @@ LIB_DEPENDS= libarpack.so:math/arpack-ng \ libwebp.so:graphics/webp \ libxc.so:science/libxc -USES= compiler:c++11-lang fortran gmake jpeg localbase:ldflags +USES= compiler:c++11-lang fortran gmake jpeg localbase:ldflags perl5 shebangfix +SHEBANG_FILES= src/fdep/fortran_dependencies.pl GNU_CONFIGURE= yes CONFIGURE_SHELL= ${PREFIX}/bin/bash USE_CXXSTD= c++11 Modified: head/science/octopus/distinfo ============================================================================== --- head/science/octopus/distinfo Sun Apr 5 00:16:44 2020 (r530733) +++ head/science/octopus/distinfo Sun Apr 5 01:17:39 2020 (r530734) @@ -1,3 +1,3 @@ -TIMESTAMP = 1554604037 -SHA256 (octopus-8.4.tar.gz) = a57c605e9813ea7e14c87162e86fa7eb0214d1db3b27dd4fa36915e3acd6a5bb -SIZE (octopus-8.4.tar.gz) = 49322551 +TIMESTAMP = 1586043435 +SHA256 (octopus-9.2.tar.gz) = 85ff24944de5bafdee98acc6fc0b74c80d37b29ab245da6ccc749ab9cc66601a +SIZE (octopus-9.2.tar.gz) = 49783044 Added: head/science/octopus/files/patch-src_basic_varinfo__low.c ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/octopus/files/patch-src_basic_varinfo__low.c Sun Apr 5 01:17:39 2020 (r530734) @@ -0,0 +1,10 @@ +--- src/basic/varinfo_low.c.orig 2020-04-04 23:41:39 UTC ++++ src/basic/varinfo_low.c +@@ -26,6 +26,7 @@ + #include + #include + #include ++#include + + #include "string_f.h" /* fortran <-> c string compatibility issues */ + Modified: head/science/octopus/pkg-descr ============================================================================== --- head/science/octopus/pkg-descr Sun Apr 5 00:16:44 2020 (r530733) +++ head/science/octopus/pkg-descr Sun Apr 5 01:17:39 2020 (r530734) @@ -9,4 +9,4 @@ For optimal execution performance Octopus is paralleli and can scale to tens of thousands of processors. It also has support for graphical processing units (GPUs) through OpenCL and CUDA. -WWW: http://octopus-code.org/wiki/Main_Page +WWW: https://octopus-code.org/wiki/Main_Page Modified: head/science/octopus/pkg-plist ============================================================================== --- head/science/octopus/pkg-plist Sun Apr 5 00:16:44 2020 (r530733) +++ head/science/octopus/pkg-plist Sun Apr 5 01:17:39 2020 (r530734) @@ -18,12 +18,10 @@ bin/oct-propagation_spectrum bin/oct-run_periodic_table bin/oct-run_regression_test.pl bin/oct-run_testsuite.sh -bin/oct-test bin/oct-vdW_c6 bin/oct-vibrational_spectrum bin/oct-xyz-anim bin/octopus -bin/octopus_mpi include/liboct_parser.h include/string_f.h man/man1/oct-atomic_occupations.1.gz @@ -38,6 +36,7 @@ man/man1/oct-run_testsuite.sh.1.gz man/man1/oct-vibrational_spectrum.1.gz man/man1/oct-xyz-anim.1.gz man/man1/octopus.1.gz +%%DATADIR%%/dftd3/pars.dat %%DATADIR%%/doc/vars/Calculation_Modes.html %%DATADIR%%/doc/vars/Execution.html %%DATADIR%%/doc/vars/Hamiltonian.html @@ -99,173 +98,193 @@ man/man1/octopus.1.gz %%DATADIR%%/opencl/subarray.cl %%DATADIR%%/opencl/trsm.cl %%DATADIR%%/opencl/vpsi.cl -%%DATADIR%%/pseudopotentials/HGH/Ag.hgh -%%DATADIR%%/pseudopotentials/HGH/Ag_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Al.hgh -%%DATADIR%%/pseudopotentials/HGH/Ar.hgh -%%DATADIR%%/pseudopotentials/HGH/As.hgh -%%DATADIR%%/pseudopotentials/HGH/At.hgh -%%DATADIR%%/pseudopotentials/HGH/Au.hgh -%%DATADIR%%/pseudopotentials/HGH/Au_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/B.hgh -%%DATADIR%%/pseudopotentials/HGH/Ba.hgh -%%DATADIR%%/pseudopotentials/HGH/Ba_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Be.hgh -%%DATADIR%%/pseudopotentials/HGH/Be_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Bi.hgh -%%DATADIR%%/pseudopotentials/HGH/Br.hgh -%%DATADIR%%/pseudopotentials/HGH/C.hgh -%%DATADIR%%/pseudopotentials/HGH/Ca.hgh -%%DATADIR%%/pseudopotentials/HGH/Ca_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Cd.hgh 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+%%DATADIR%%/pseudopotentials/HGH/lda_sc/Hf_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Hg_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Ho_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/In_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Ir_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/K_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/La_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Li_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Lu_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Mg_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Mn_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Mo_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Na_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Nb_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Nd_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Ni_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Os_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Pd_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Pm_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Pr_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Pt_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Rb_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Re_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Rh_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Ru_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Sc_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Sm_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Sr_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Ta_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Tb_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Tc_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Ti_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Tl_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Tm_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/V_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/W_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Y_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Yb_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Zn_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Zr_sc.hgh %%DATADIR%%/pseudopotentials/PSF/C.psf +%%DATADIR%%/pseudopotentials/PSF/C.psf.spacing %%DATADIR%%/pseudopotentials/PSF/Cd.psf +%%DATADIR%%/pseudopotentials/PSF/D.psf %%DATADIR%%/pseudopotentials/PSF/H.psf %%DATADIR%%/pseudopotentials/PSF/Li.psf %%DATADIR%%/pseudopotentials/PSF/N.psf %%DATADIR%%/pseudopotentials/PSF/Na.psf %%DATADIR%%/pseudopotentials/PSF/O.psf +%%DATADIR%%/pseudopotentials/PSF/O.psf.spacing %%DATADIR%%/pseudopotentials/PSF/S.psf +%%DATADIR%%/pseudopotentials/PSF/S.psf.spacing %%DATADIR%%/pseudopotentials/PSF/Se.psf +%%DATADIR%%/pseudopotentials/PSF/Se.psf.spacing %%DATADIR%%/pseudopotentials/PSF/Si.psf +%%DATADIR%%/pseudopotentials/PSF/T.psf %%DATADIR%%/pseudopotentials/PSF/Ti.psf +%%DATADIR%%/pseudopotentials/PSF/set_defaults %%DATADIR%%/pseudopotentials/elements.dat -%%DATADIR%%/pseudopotentials/hgh_lda.set -%%DATADIR%%/pseudopotentials/hscv_lda.set -%%DATADIR%%/pseudopotentials/hscv_pbe.set %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ag.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Al.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Al.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ar.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ar.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/As.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Au.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/B.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/B.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ba.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Be.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Be.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Bi.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Br.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/C.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/C.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ca.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Cd.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Cl.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Cl.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Co.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Cr.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Cs.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Cu.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/D.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/D.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/F.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/F.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Fe.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ga.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ga.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ge.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/H.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/H.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/He.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/He.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Hf.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Hg.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/I.upf @@ -275,16 +294,21 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Kr.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/La.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Li.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Li.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Lu.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Mg.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Mn.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Mo.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/N.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/N.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Na.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Na.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Nb.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ne.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ne.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ni.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/O.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/O.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Os.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/P.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Pb.upf @@ -297,12 +321,16 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Rn.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ru.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/S.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/S.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Sb.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Sc.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Se.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Si.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Si.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Sn.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Sr.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/T.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/T.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ta.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Tc.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Te.upf @@ -332,6 +360,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Cr.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Cs.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Cu.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/D.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/F.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Fe.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Ga.upf @@ -375,6 +404,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Si.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Sn.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Sr.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/T.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Ta.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Tc.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Te.upf @@ -404,6 +434,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Cr.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Cs.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Cu.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/D.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/F.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Fe.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Ga.upf @@ -447,6 +478,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Si.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Sn.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Sr.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/T.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Ta.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Tc.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Te.upf @@ -476,6 +508,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Cr.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Cs.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Cu.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/D.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/F.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Fe.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Ga.upf @@ -519,6 +552,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Si.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Sn.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Sr.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/T.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Ta.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Tc.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Te.upf @@ -546,6 +580,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Cl.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Cr.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Cu.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/D.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/F.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Fe.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Ga.upf @@ -583,6 +618,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Si.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Sn.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Sr.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/T.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Ta.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Tc.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Te.upf @@ -609,6 +645,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Cl.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Cr.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Cu.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/D.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/F.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Fe.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Ga.upf @@ -645,6 +682,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Si.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Sn.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Sr.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/T.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Ta.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Tc.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Te.upf @@ -656,12 +694,6 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Y.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Zn.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Zr.upf -%%DATADIR%%/pseudopotentials/pseudodojo_lda.set -%%DATADIR%%/pseudopotentials/pseudodojo_lda_stringent.set -%%DATADIR%%/pseudopotentials/pseudodojo_pbe.set -%%DATADIR%%/pseudopotentials/pseudodojo_pbe_stringent.set -%%DATADIR%%/pseudopotentials/pseudodojo_pbesol.set -%%DATADIR%%/pseudopotentials/pseudodojo_pbesol_stringent.set %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Ac_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Ag_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Al_HSCV_LDA-1.0.xml @@ -682,6 +714,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Cr_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Cs_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Cu_HSCV_LDA-1.0.xml +%%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/D_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Dy_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Er_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Eu_HSCV_LDA-1.0.xml @@ -739,6 +772,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Sm_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Sn_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Sr_HSCV_LDA-1.0.xml +%%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/T_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Ta_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Tb_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Tc_HSCV_LDA-1.0.xml @@ -833,6 +867,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/pbe/Sm_HSCV_PBE-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/pbe/Sn_HSCV_PBE-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/pbe/Sr_HSCV_PBE-1.0.xml +%%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/pbe/T_HSCV_PBE-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/pbe/Ta_HSCV_PBE-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/pbe/Tb_HSCV_PBE-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/pbe/Tc_HSCV_PBE-1.0.xml @@ -861,6 +896,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Br_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/COPYING %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/C_ONCV_PBE-1.0.upf +%%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/C_ONCV_PBE-1.0.upf.spacing %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Ca_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Cd_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Cl_ONCV_PBE-1.1.upf @@ -868,11 +904,13 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Cr_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Cs_ONCV_PBE-1.1.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Cu_ONCV_PBE-1.0.upf +%%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/D_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/F_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Fe_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Ga_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Ge_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/H_ONCV_PBE-1.0.upf +%%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/H_ONCV_PBE-1.0.upf.spacing %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/He_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Hf_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Hg_ONCV_PBE-1.0.upf @@ -887,6 +925,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Mn_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Mo_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/N_ONCV_PBE-1.0.upf +%%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/N_ONCV_PBE-1.0.upf.spacing %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Na_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Nb_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Ne_ONCV_PBE-1.0.upf @@ -909,6 +948,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Si_ONCV_PBE-1.1.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Sn_ONCV_PBE-1.1.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Sr_ONCV_PBE-1.0.upf +%%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/T_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Ta_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Tc_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Te_ONCV_PBE-1.1.upf @@ -920,8 +960,6 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Y_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Zn_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Zr_ONCV_PBE-1.0.upf -%%DATADIR%%/pseudopotentials/sg15.set -%%DATADIR%%/pseudopotentials/standard.set %%DATADIR%%/quadrature/README %%DATADIR%%/quadrature/lebedev_003.txt %%DATADIR%%/quadrature/lebedev_005.txt @@ -967,13 +1005,6 @@ man/man1/octopus.1.gz %%DATADIR%%/recipes/es/pulpo_asado.txt %%DATADIR%%/recipes/eu/txipiroiak_bere_tintan.txt %%DATADIR%%/recipes/it/polpo_galiziana.txt -%%DATADIR%%/testsuite/complex_scaling/01-harmonic-oscillator.01-independent.inp -%%DATADIR%%/testsuite/complex_scaling/01-harmonic-oscillator.02-complex_lda.inp -%%DATADIR%%/testsuite/complex_scaling/01-harmonic-oscillator.test -%%DATADIR%%/testsuite/complex_scaling/02-1dwell.01-lda.inp -%%DATADIR%%/testsuite/complex_scaling/02-1dwell.test -%%DATADIR%%/testsuite/complex_scaling/03-stark.01-1d.inp -%%DATADIR%%/testsuite/complex_scaling/03-stark.test %%DATADIR%%/testsuite/components/01-derivatives_1d.01.inp %%DATADIR%%/testsuite/components/01-derivatives_1d.02-fortran.inp %%DATADIR%%/testsuite/components/01-derivatives_1d.test @@ -992,9 +1023,13 @@ man/man1/octopus.1.gz %%DATADIR%%/testsuite/components/07-cholesky_serial.02-complex.inp %%DATADIR%%/testsuite/components/07-cholesky_serial.03-parindep.inp %%DATADIR%%/testsuite/components/07-cholesky_serial.test -%%DATADIR%%/testsuite/components/08-mgs.01-real.inp -%%DATADIR%%/testsuite/components/08-mgs.02-complex.inp -%%DATADIR%%/testsuite/components/08-mgs.test +%%DATADIR%%/testsuite/components/08-gs.01-cgs_real.inp +%%DATADIR%%/testsuite/components/08-gs.02-cgs_complex.inp +%%DATADIR%%/testsuite/components/08-gs.03-mgs_real.inp +%%DATADIR%%/testsuite/components/08-gs.04-mgs_complex.inp +%%DATADIR%%/testsuite/components/08-gs.05-drcgs_real.inp +%%DATADIR%%/testsuite/components/08-gs.06-drcgs_complex.inp +%%DATADIR%%/testsuite/components/08-gs.test %%DATADIR%%/testsuite/components/10-hartree_pfft.01-fft.inp %%DATADIR%%/testsuite/components/10-hartree_pfft.02-fft_corrected.inp %%DATADIR%%/testsuite/components/10-hartree_pfft.test @@ -1020,6 +1055,10 @@ man/man1/octopus.1.gz %%DATADIR%%/testsuite/components/18-interpolation.test %%DATADIR%%/testsuite/components/19-hgh_soc.01-3d.inp %%DATADIR%%/testsuite/components/19-hgh_soc.test +%%DATADIR%%/testsuite/components/20-dft_u.01-NiO.inp +%%DATADIR%%/testsuite/components/20-dft_u.test +%%DATADIR%%/testsuite/components/21-hamiltonian_apply.01-Si.inp +%%DATADIR%%/testsuite/components/21-hamiltonian_apply.test %%DATADIR%%/testsuite/finite_systems_1d/01-hydrogen.01-ground_state.inp %%DATADIR%%/testsuite/finite_systems_1d/01-hydrogen.02-excited_state.inp %%DATADIR%%/testsuite/finite_systems_1d/01-hydrogen.03-dummy.inp @@ -1105,8 +1144,8 @@ man/man1/octopus.1.gz %%DATADIR%%/testsuite/finite_systems_3d/13-full_potential_hydrogen.01-gs.inp %%DATADIR%%/testsuite/finite_systems_3d/13-full_potential_hydrogen.02-gs-cg.inp %%DATADIR%%/testsuite/finite_systems_3d/13-full_potential_hydrogen.test -%%DATADIR%%/testsuite/finite_systems_3d/14-fullerene_packed.01-gs.inp -%%DATADIR%%/testsuite/finite_systems_3d/14-fullerene_packed.test +%%DATADIR%%/testsuite/finite_systems_3d/14-fullerene_unpacked.01-gs.inp +%%DATADIR%%/testsuite/finite_systems_3d/14-fullerene_unpacked.test %%DATADIR%%/testsuite/finite_systems_3d/15-fullerene_stdlcao.01-gs.inp %%DATADIR%%/testsuite/finite_systems_3d/15-fullerene_stdlcao.test %%DATADIR%%/testsuite/finite_systems_3d/16-scfinlcao_std.01-gs.inp @@ -1115,6 +1154,8 @@ man/man1/octopus.1.gz %%DATADIR%%/testsuite/finite_systems_3d/17-scfinlcao_alt.01-gs.inp %%DATADIR%%/testsuite/finite_systems_3d/17-scfinlcao_alt.Cl.psf %%DATADIR%%/testsuite/finite_systems_3d/17-scfinlcao_alt.test +%%DATADIR%%/testsuite/finite_systems_3d/18-preconditioner_poisson.01-poisson.inp +%%DATADIR%%/testsuite/finite_systems_3d/18-preconditioner_poisson.test %%DATADIR%%/testsuite/finite_systems_3d/20-eigensolver.01-lobpcg.inp %%DATADIR%%/testsuite/finite_systems_3d/20-eigensolver.02-cg.inp %%DATADIR%%/testsuite/finite_systems_3d/20-eigensolver.03-cg_new.inp @@ -1126,6 +1167,11 @@ man/man1/octopus.1.gz %%DATADIR%%/testsuite/finite_systems_3d/21-lobpcg.01-spin_polarized.inp %%DATADIR%%/testsuite/finite_systems_3d/21-lobpcg.02-spinors.inp %%DATADIR%%/testsuite/finite_systems_3d/21-lobpcg.test +%%DATADIR%%/testsuite/finite_systems_3d/22-preconditioner.01-none.inp +%%DATADIR%%/testsuite/finite_systems_3d/22-preconditioner.02-filter.inp +%%DATADIR%%/testsuite/finite_systems_3d/22-preconditioner.03-jacobi.inp +%%DATADIR%%/testsuite/finite_systems_3d/22-preconditioner.05-multigrid.inp +%%DATADIR%%/testsuite/finite_systems_3d/22-preconditioner.test %%DATADIR%%/testsuite/finite_systems_3d/23-go-na2.01-steep.inp %%DATADIR%%/testsuite/finite_systems_3d/23-go-na2.02-simplex.inp %%DATADIR%%/testsuite/finite_systems_3d/23-go-na2.03-fire.inp @@ -1146,111 +1192,14 @@ man/man1/octopus.1.gz %%DATADIR%%/testsuite/finite_systems_3d/30-local_multipoles.test %%DATADIR%%/testsuite/finite_systems_3d/31-acetylene_b3lyp.01-gs.inp %%DATADIR%%/testsuite/finite_systems_3d/31-acetylene_b3lyp.test 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+%%DATADIR%%/testsuite/finite_systems_3d/32-tdpcm_methane.test +%%DATADIR%%/testsuite/finite_systems_3d/33-cg.01-orthogonalize_all.inp +%%DATADIR%%/testsuite/finite_systems_3d/33-cg.02-additional_terms.inp +%%DATADIR%%/testsuite/finite_systems_3d/33-cg.03-cg_direction.inp +%%DATADIR%%/testsuite/finite_systems_3d/33-cg.test %%DATADIR%%/testsuite/functionals/01-xc_1d.01-wfs-lda.inp %%DATADIR%%/testsuite/functionals/01-xc_1d.02-wfs-hf.inp %%DATADIR%%/testsuite/functionals/01-xc_1d.lda_csc.inp @@ -1362,12 +1311,20 @@ man/man1/octopus.1.gz %%DATADIR%%/testsuite/functionals/10-vdw_d3_dna.xyz %%DATADIR%%/testsuite/functionals/11-vdw_d3.01-gs.inp %%DATADIR%%/testsuite/functionals/11-vdw_d3.test +%%DATADIR%%/testsuite/functionals/12-vdw_solid_c6.01-gs_diamond.inp +%%DATADIR%%/testsuite/functionals/12-vdw_solid_c6.02-gs_graphene.inp +%%DATADIR%%/testsuite/functionals/12-vdw_solid_c6.test +%%DATADIR%%/testsuite/functionals/13-libvdwxc_h2o.01-vdwdfcx.inp 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%%DATADIR%%/testsuite/photo_electron/01-h1d_lin.02-ba.inp %%DATADIR%%/testsuite/photo_electron/01-h1d_lin.test @@ -1571,6 +1546,18 @@ man/man1/octopus.1.gz %%DATADIR%%/testsuite/pseudopotentials/12_mix_and_match.test %%DATADIR%%/testsuite/pseudopotentials/13-U235.01-gs.inp %%DATADIR%%/testsuite/pseudopotentials/13-U235.test +%%DATADIR%%/testsuite/pseudopotentials/14-carbon_dojo_psp8.01-gs.inp +%%DATADIR%%/testsuite/pseudopotentials/14-carbon_dojo_psp8.pseudo.psp8 +%%DATADIR%%/testsuite/pseudopotentials/14-carbon_dojo_psp8.test +%%DATADIR%%/testsuite/pseudopotentials/15-calcium_psp8_sic.01-gs.inp +%%DATADIR%%/testsuite/pseudopotentials/15-calcium_psp8_sic.20ca_sic.drh +%%DATADIR%%/testsuite/pseudopotentials/15-calcium_psp8_sic.test +%%DATADIR%%/testsuite/pseudopotentials/16-platinum_psp8.01-gs.inp +%%DATADIR%%/testsuite/pseudopotentials/16-platinum_psp8.78_Pt_r.oncvpsp.psp8 +%%DATADIR%%/testsuite/pseudopotentials/16-platinum_psp8.test 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