git: 925bd05a7814 - main - science/octopus: update 13.0 → 15.1
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Date: Fri, 17 Jan 2025 07:21:47 UTC
The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=925bd05a78146d8e98057c2377ff5ff7fc7b8e40 commit 925bd05a78146d8e98057c2377ff5ff7fc7b8e40 Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2025-01-17 03:55:59 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2025-01-17 07:21:36 +0000 science/octopus: update 13.0 → 15.1 --- science/octopus/Makefile | 5 +- science/octopus/distinfo | 6 +- science/octopus/files/patch-configure | 6 +- .../octopus/files/patch-external__libs_Makefile.in | 8 +- science/octopus/files/patch-src_Makefile.in | 26 ++--- science/octopus/pkg-plist | 129 +++++++++++++++++++-- 6 files changed, 146 insertions(+), 34 deletions(-) diff --git a/science/octopus/Makefile b/science/octopus/Makefile index db57724a8cf9..47455faa91ff 100644 --- a/science/octopus/Makefile +++ b/science/octopus/Makefile @@ -1,12 +1,11 @@ PORTNAME= octopus -DISTVERSION= 13.0 -PORTREVISION= 4 +DISTVERSION= 15.1 CATEGORIES= science # chemistry MASTER_SITES= https://octopus-code.org/download/${DISTVERSION}/ MAINTAINER= yuri@FreeBSD.org COMMENT= Scientific program aimed at the ab initio virtual experimentation -WWW= https://octopus-code.org/new-site/main/ +WWW= https://octopus-code.org/documentation/15/ LICENSE= GPLv2 diff --git a/science/octopus/distinfo b/science/octopus/distinfo index 03f3dafe0b59..67b1584339cd 100644 --- a/science/octopus/distinfo +++ b/science/octopus/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1699299691 -SHA256 (octopus-13.0.tar.gz) = b4d0fd496c31a9c4aa4677360e631765049373131e61f396b00048235057aeb1 -SIZE (octopus-13.0.tar.gz) = 43659771 +TIMESTAMP = 1737081048 +SHA256 (octopus-15.1.tar.gz) = 6c4deb535ddfcdcdf6f26764b38fb1ad05faa9b418ec18d5d93f8d1040165bda +SIZE (octopus-15.1.tar.gz) = 42705145 diff --git a/science/octopus/files/patch-configure b/science/octopus/files/patch-configure index 081b8e448590..61ad87b4bac9 100644 --- a/science/octopus/files/patch-configure +++ b/science/octopus/files/patch-configure @@ -1,10 +1,10 @@ ---- configure.orig 2021-11-25 13:43:40 UTC +--- configure.orig 2024-12-17 09:36:22 UTC +++ configure -@@ -955,7 +955,7 @@ FCFLAGS +@@ -980,7 +980,7 @@ CXXCPP' FCCPP LT_SYS_LIBRARY_PATH CXXCPP' --ac_subdirs_all='external_libs/spglib-1.9.9' +-ac_subdirs_all='external_libs/spglib-2.1.0' +ac_subdirs_all='' # Initialize some variables set by options. diff --git a/science/octopus/files/patch-external__libs_Makefile.in b/science/octopus/files/patch-external__libs_Makefile.in index 37dddc97d4a9..966a22c618d1 100644 --- a/science/octopus/files/patch-external__libs_Makefile.in +++ b/science/octopus/files/patch-external__libs_Makefile.in @@ -1,10 +1,10 @@ ---- external_libs/Makefile.in.orig 2019-01-19 22:16:26 UTC +--- external_libs/Makefile.in.orig 2024-12-17 09:36:33 UTC +++ external_libs/Makefile.in -@@ -392,7 +392,6 @@ top_srcdir = @top_srcdir@ +@@ -430,7 +430,6 @@ SUBDIRS = \ SUBDIRS = \ metis-5.1 \ qshep \ -- spglib-1.9.9 \ +- spglib-2.1.0 \ fortrancl \ bpdn \ - yaml-0.1.4 \ + dftd3 \ diff --git a/science/octopus/files/patch-src_Makefile.in b/science/octopus/files/patch-src_Makefile.in index eb87b5585b13..4f53e75b7198 100644 --- a/science/octopus/files/patch-src_Makefile.in +++ b/science/octopus/files/patch-src_Makefile.in @@ -1,34 +1,34 @@ ---- src/Makefile.in.orig 2021-11-25 13:43:43 UTC +--- src/Makefile.in.orig 2024-12-17 09:36:36 UTC +++ src/Makefile.in -@@ -192,7 +192,6 @@ LTLIBRARIES = $(lib_LTLIBRARIES) +@@ -190,7 +190,6 @@ am__DEPENDENCIES_3 = $(top_builddir)/external_libs/qsh am__DEPENDENCIES_1 = @COMPILE_OPENCL_TRUE@am__DEPENDENCIES_2 = $(top_builddir)/external_libs/fortrancl/libfortrancl.la am__DEPENDENCIES_3 = $(top_builddir)/external_libs/qshep/libqshep.la \ -- $(top_builddir)/external_libs/spglib-1.9.9/src/libsymspg.la \ +- $(top_builddir)/external_libs/spglib-2.1.0/src/libsymspg.la \ $(top_builddir)/external_libs/bpdn/libbpdn.la \ $(top_builddir)/external_libs/dftd3/libdftd3.la \ - $(am__DEPENDENCIES_2) $(am__append_3) $(am__append_5) -@@ -847,7 +846,6 @@ top_srcdir = @top_srcdir@ - # we should not have libyaml here if we used an external one... + $(am__DEPENDENCIES_2) $(am__append_3) +@@ -1140,7 +1139,6 @@ FCFLAGS_MODS = @F90_MODULE_FLAG@$(top_builddir)/extern + top_srcdir = @top_srcdir@ FCFLAGS_MODS = @F90_MODULE_FLAG@$(top_builddir)/external_libs/bpdn \ @F90_MODULE_FLAG@$(top_builddir)/external_libs/dftd3 \ -- @F90_MODULE_FLAG@$(top_builddir)/external_libs/spglib-1.9.9/src/ \ +- @F90_MODULE_FLAG@$(top_builddir)/external_libs/spglib-2.1.0/src/ \ @FCFLAGS_LIBXC@ @FCFLAGS_PSPIO@ @FCFLAGS_PSOLVER@ \ - @FCFLAGS_ISF@ @FCFLAGS_FUTILE@ @FCFLAGS_FFTW@ @FCFLAGS_PFFT@ \ + @FCFLAGS_ATLAB@ @FCFLAGS_FUTILE@ @FCFLAGS_FFTW@ @FCFLAGS_PFFT@ \ @FCFLAGS_PNFFT@ @FCFLAGS_NETCDF@ @FCFLAGS_ETSF_IO@ \ -@@ -856,7 +854,6 @@ FCFLAGS_MODS = @F90_MODULE_FLAG@$(top_builddir)/extern +@@ -1149,7 +1147,6 @@ AM_CPPFLAGS = -I$(top_srcdir)/src/include \ @FCFLAGS_DFTBPLUS@ $(am__append_2) AM_CPPFLAGS = -I$(top_srcdir)/src/include \ -I$(top_builddir)/src/include \ -- -I$(top_srcdir)/external_libs/spglib-1.9.9/src \ +- -I$(top_srcdir)/external_libs/spglib-2.1.0/src \ -I$(top_srcdir)/liboct_parser $(GSL_CFLAGS) $(GD_CFLAGS) \ @METIS_CFLAGS@ @PARMETIS_CFLAGS@ @CFLAGS_NFFT@ @CFLAGS_FFTW@ \ @CFLAGS_CUDA@ @CGAL_CPPFLAGS@ -DSHARE_DIR='"$(pkgdatadir)"' \ -@@ -877,7 +874,6 @@ core_LIBS = \ +@@ -1170,7 +1167,6 @@ external_LIBS = $(top_builddir)/external_libs/qshep/li @GSL_LIBS@ @LIBS_LIBXC@ @FCEXTRALIBS@ external_LIBS = $(top_builddir)/external_libs/qshep/libqshep.la \ -- $(top_builddir)/external_libs/spglib-1.9.9/src/libsymspg.la \ +- $(top_builddir)/external_libs/spglib-2.1.0/src/libsymspg.la \ $(top_builddir)/external_libs/bpdn/libbpdn.la \ $(top_builddir)/external_libs/dftd3/libdftd3.la \ - $(am__append_1) $(am__append_3) $(am__append_5) + $(am__append_1) $(am__append_3) diff --git a/science/octopus/pkg-plist b/science/octopus/pkg-plist index 1ec915be558e..0a4eabda5277 100644 --- a/science/octopus/pkg-plist +++ b/science/octopus/pkg-plist @@ -58,7 +58,6 @@ share/man/man1/octopus.1.gz %%DATADIR%%/doc/vars/Linear_Response.html %%DATADIR%%/doc/vars/Math.html %%DATADIR%%/doc/vars/Maxwell.html -%%DATADIR%%/doc/vars/MaxwellStates.html %%DATADIR%%/doc/vars/Mesh.html %%DATADIR%%/doc/vars/Output.html %%DATADIR%%/doc/vars/SCF.html @@ -784,14 +783,43 @@ share/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%%/recipes/kn/captain_calamari_kheer.txt %%DATADIR%%/testsuite/components/01-derivatives_1d.01.inp %%DATADIR%%/testsuite/components/01-derivatives_1d.02-fortran.inp %%DATADIR%%/testsuite/components/01-derivatives_1d.test %%DATADIR%%/testsuite/components/02-derivatives_2d.01.inp %%DATADIR%%/testsuite/components/02-derivatives_2d.test %%DATADIR%%/testsuite/components/03-derivatives_3d.01.inp -%%DATADIR%%/testsuite/components/03-derivatives_3d.02-non-orthogonal.inp -%%DATADIR%%/testsuite/components/03-derivatives_3d.02-non-orthogonal_unpacked.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.02-unpacked.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.03-45deg_cell.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.04-aP.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.05-mP.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.06-mC.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.07-oP.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.08-oC.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.09-oI.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.10-oF.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.11-tP.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.12-tI.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.13-hP.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.14-hR.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.15-cP.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.16-cI.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.17-cF.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.18-cubestencil-aP.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.19-cubestencil-mP.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.20-cubestencil-mC.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.21-cubestencil-oP.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.22-cubestencil-oC.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.23-cubestencil-oI.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.24-cubestencil-oF.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.25-cubestencil-tP.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.26-cubestencil-tI.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.27-cubestencil-hP.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.28-cubestencil-hR.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.29-cubestencil-cP.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.30-cubestencil-cI.inp +%%DATADIR%%/testsuite/components/03-derivatives_3d.31-cubestencil-cF.inp %%DATADIR%%/testsuite/components/03-derivatives_3d.test %%DATADIR%%/testsuite/components/04-hartree_3d_cg.01-cg_corrected.inp %%DATADIR%%/testsuite/components/04-hartree_3d_cg.test @@ -826,6 +854,7 @@ share/man/man1/octopus.1.gz %%DATADIR%%/testsuite/components/12-hartree_direct_3d.01.inp %%DATADIR%%/testsuite/components/12-hartree_direct_3d.test %%DATADIR%%/testsuite/components/13-hartree_3d_mg.01-multigrid.inp +%%DATADIR%%/testsuite/components/13-hartree_3d_mg.02-curvilinear.inp %%DATADIR%%/testsuite/components/13-hartree_3d_mg.test %%DATADIR%%/testsuite/components/14-center-geom.01-run.inp %%DATADIR%%/testsuite/components/14-center-geom.test @@ -889,16 +918,29 @@ share/man/man1/octopus.1.gz %%DATADIR%%/testsuite/components/34-regridding.04-spacing-ratio3-mixed.inp %%DATADIR%%/testsuite/components/34-regridding.05-spacing-ratio3-parstates.inp %%DATADIR%%/testsuite/components/34-regridding.06-spacing-ratio3-pardomains.inp +%%DATADIR%%/testsuite/components/34-regridding.07-spacing-ratio3-nearestneighbor-mixed.inp +%%DATADIR%%/testsuite/components/34-regridding.08-spacing-ratio3-nearestneighbor-parstates.inp +%%DATADIR%%/testsuite/components/34-regridding.09-spacing-ratio3-nearestneighbor-pardomains.inp +%%DATADIR%%/testsuite/components/34-regridding.10-nonorthogonal-aP.inp +%%DATADIR%%/testsuite/components/34-regridding.11-nonorthogonal-rot45degree.inp +%%DATADIR%%/testsuite/components/34-regridding.12-curvilinear.inp +%%DATADIR%%/testsuite/components/34-regridding.13-noncommensurate.inp +%%DATADIR%%/testsuite/components/34-regridding.14-noncommensurate-nearestneighbor.inp %%DATADIR%%/testsuite/components/34-regridding.test %%DATADIR%%/testsuite/components/35-helmholtz_decom.01-large_box_no_surf_corr.inp -%%DATADIR%%/testsuite/components/35-helmholtz_decom.02-parallelepiped_small_box_with_surf_corr.inp -%%DATADIR%%/testsuite/components/35-helmholtz_decom.03-sphere_small_box_with_surf_corr.inp +%%DATADIR%%/testsuite/components/35-helmholtz_decom.02-small_box_no_surf_corr.inp +%%DATADIR%%/testsuite/components/35-helmholtz_decom.03-parallelepiped_small_box_with_surf_corr.inp %%DATADIR%%/testsuite/components/35-helmholtz_decom.04-cylinder_small_box_with_surf_corr.inp +%%DATADIR%%/testsuite/components/35-helmholtz_decom.05-sphere_small_box_with_surf_corr.inp %%DATADIR%%/testsuite/components/35-helmholtz_decom.test %%DATADIR%%/testsuite/components/36-maxwell_vector_potential.inp %%DATADIR%%/testsuite/components/36-maxwell_vector_potential.test %%DATADIR%%/testsuite/components/37-current-density.inp %%DATADIR%%/testsuite/components/37-current-density.test +%%DATADIR%%/testsuite/components/38-mixing.01_broyden.inp +%%DATADIR%%/testsuite/components/38-mixing.02_linear.inp +%%DATADIR%%/testsuite/components/38-mixing.03_diis.inp +%%DATADIR%%/testsuite/components/38-mixing.test %%DATADIR%%/testsuite/errors/01-run_mode.01-one_shot.inp %%DATADIR%%/testsuite/errors/01-run_mode.test %%DATADIR%%/testsuite/errors/02-scf_errors.01-rdmft.inp @@ -914,6 +956,9 @@ share/man/man1/octopus.1.gz %%DATADIR%%/testsuite/finite_systems_1d/02-neon_mpi.test %%DATADIR%%/testsuite/finite_systems_1d/03-He-Hartree-Fock.01-gs.inp %%DATADIR%%/testsuite/finite_systems_1d/03-He-Hartree-Fock.test +%%DATADIR%%/testsuite/finite_systems_1d/04-lithium.01-ground_state.inp +%%DATADIR%%/testsuite/finite_systems_1d/04-lithium.02-absorbing_boundaries.inp +%%DATADIR%%/testsuite/finite_systems_1d/04-lithium.test %%DATADIR%%/testsuite/finite_systems_1d/09-morse.01-gs.inp %%DATADIR%%/testsuite/finite_systems_1d/09-morse.02-unocc.inp %%DATADIR%%/testsuite/finite_systems_1d/09-morse.03-td.inp @@ -944,6 +989,10 @@ share/man/man1/octopus.1.gz %%DATADIR%%/testsuite/finite_systems_2d/08-constrain.02-gs_dir.inp %%DATADIR%%/testsuite/finite_systems_2d/08-constrain.03-polarized.inp %%DATADIR%%/testsuite/finite_systems_2d/08-constrain.test +%%DATADIR%%/testsuite/finite_systems_2d/09-magnetic_2d.01-no_field.inp +%%DATADIR%%/testsuite/finite_systems_2d/09-magnetic_2d.02-gs_gauge_xy.inp +%%DATADIR%%/testsuite/finite_systems_2d/09-magnetic_2d.03-gs_gauge_y.inp +%%DATADIR%%/testsuite/finite_systems_2d/09-magnetic_2d.test %%DATADIR%%/testsuite/finite_systems_3d/01-carbon_atom.01-psf_l0.inp %%DATADIR%%/testsuite/finite_systems_3d/01-carbon_atom.02-psf_l1.inp %%DATADIR%%/testsuite/finite_systems_3d/01-carbon_atom.03-static_field.inp @@ -1010,11 +1059,12 @@ share/man/man1/octopus.1.gz %%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-cg.inp -%%DATADIR%%/testsuite/finite_systems_3d/20-eigensolver.02-cg_new.inp %%DATADIR%%/testsuite/finite_systems_3d/20-eigensolver.03-plan.inp %%DATADIR%%/testsuite/finite_systems_3d/20-eigensolver.04-evolution.inp %%DATADIR%%/testsuite/finite_systems_3d/20-eigensolver.05-rmmdiis.inp %%DATADIR%%/testsuite/finite_systems_3d/20-eigensolver.06-rmmdiis-noscalapack.inp +%%DATADIR%%/testsuite/finite_systems_3d/20-eigensolver.07-chebyshev.inp +%%DATADIR%%/testsuite/finite_systems_3d/20-eigensolver.08-evolution-chebyshev.inp %%DATADIR%%/testsuite/finite_systems_3d/20-eigensolver.test %%DATADIR%%/testsuite/finite_systems_3d/22-preconditioner.01-none.inp %%DATADIR%%/testsuite/finite_systems_3d/22-preconditioner.02-filter.inp @@ -1075,7 +1125,13 @@ share/man/man1/octopus.1.gz %%DATADIR%%/testsuite/finite_systems_3d/41-gpu-bug.01-C.inp %%DATADIR%%/testsuite/finite_systems_3d/41-gpu-bug.test %%DATADIR%%/testsuite/finite_systems_3d/42-full_potential_anc.01-gs.inp +%%DATADIR%%/testsuite/finite_systems_3d/42-full_potential_anc.02-sc-zora.inp +%%DATADIR%%/testsuite/finite_systems_3d/42-full_potential_anc.03-sf-zora.inp +%%DATADIR%%/testsuite/finite_systems_3d/42-full_potential_anc.04-fr-zora.inp +%%DATADIR%%/testsuite/finite_systems_3d/42-full_potential_anc.05-zora-error.inp %%DATADIR%%/testsuite/finite_systems_3d/42-full_potential_anc.test +%%DATADIR%%/testsuite/finite_systems_3d/43-gga_spinors.01-H.inp +%%DATADIR%%/testsuite/finite_systems_3d/43-gga_spinors.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 @@ -1096,6 +1152,7 @@ share/man/man1/octopus.1.gz %%DATADIR%%/testsuite/functionals/03-xc.b3lyp_oep.inp %%DATADIR%%/testsuite/functionals/03-xc.exx.inp %%DATADIR%%/testsuite/functionals/03-xc.fbex.inp +%%DATADIR%%/testsuite/functionals/03-xc.fbex_sl.inp %%DATADIR%%/testsuite/functionals/03-xc.gga_c_am05.inp %%DATADIR%%/testsuite/functionals/03-xc.gga_c_lm.inp %%DATADIR%%/testsuite/functionals/03-xc.gga_c_lyp.inp @@ -1144,6 +1201,7 @@ share/man/man1/octopus.1.gz %%DATADIR%%/testsuite/functionals/03-xc.gga_xc_pbelyp1w.inp %%DATADIR%%/testsuite/functionals/03-xc.gga_xc_xlyp.inp %%DATADIR%%/testsuite/functionals/03-xc.kli.inp +%%DATADIR%%/testsuite/functionals/03-xc.lda_c_fbe.inp %%DATADIR%%/testsuite/functionals/03-xc.lda_c_gl.inp %%DATADIR%%/testsuite/functionals/03-xc.lda_c_hl.inp %%DATADIR%%/testsuite/functionals/03-xc.lda_c_ob_pw.inp @@ -1173,12 +1231,14 @@ share/man/man1/octopus.1.gz %%DATADIR%%/testsuite/functionals/05-ks_inversion.01-target_density.inp %%DATADIR%%/testsuite/functionals/05-ks_inversion.02-two_particle.inp %%DATADIR%%/testsuite/functionals/05-ks_inversion.03-inversion.inp +%%DATADIR%%/testsuite/functionals/05-ks_inversion.04-inv_godby.inp %%DATADIR%%/testsuite/functionals/05-ks_inversion.test %%DATADIR%%/testsuite/functionals/06-rdmft.01-ip.inp %%DATADIR%%/testsuite/functionals/06-rdmft.02-gs_basis.inp %%DATADIR%%/testsuite/functionals/06-rdmft.03-gs_grid.inp %%DATADIR%%/testsuite/functionals/06-rdmft.test %%DATADIR%%/testsuite/functionals/07-sic.01-gs.inp +%%DATADIR%%/testsuite/functionals/07-sic.02-scdm.inp %%DATADIR%%/testsuite/functionals/07-sic.test %%DATADIR%%/testsuite/functionals/08-vdw_ts.01-gs.inp %%DATADIR%%/testsuite/functionals/08-vdw_ts.test @@ -1198,7 +1258,7 @@ share/man/man1/octopus.1.gz %%DATADIR%%/testsuite/functionals/14-libvdwxc_Be_hcp.01-vdwdfcx.inp %%DATADIR%%/testsuite/functionals/14-libvdwxc_Be_hcp.test %%DATADIR%%/testsuite/functionals/15-oep-CG.01-kli.inp -%%DATADIR%%/testsuite/functionals/15-oep-CG.02-oep-bb.inp +%%DATADIR%%/testsuite/functionals/15-oep-CG.02-oep-dens.inp %%DATADIR%%/testsuite/functionals/15-oep-CG.test %%DATADIR%%/testsuite/functionals/16-dressed-rdmft.01-ip.inp %%DATADIR%%/testsuite/functionals/16-dressed-rdmft.02-hf.inp @@ -1210,6 +1270,10 @@ share/man/man1/octopus.1.gz %%DATADIR%%/testsuite/functionals/17-oep-photons.test %%DATADIR%%/testsuite/functionals/18-mgga.01-br89.inp %%DATADIR%%/testsuite/functionals/18-mgga.02-br89_oep.inp +%%DATADIR%%/testsuite/functionals/18-mgga.03-lda.inp +%%DATADIR%%/testsuite/functionals/18-mgga.04-ncbr.inp +%%DATADIR%%/testsuite/functionals/18-mgga.05-ncbr_oep.inp +%%DATADIR%%/testsuite/functionals/18-mgga.06_nccs.inp %%DATADIR%%/testsuite/functionals/18-mgga.test %%DATADIR%%/testsuite/lda_u/01-nio.01-U5-gs.inp %%DATADIR%%/testsuite/lda_u/01-nio.02-unocc.inp @@ -1225,6 +1289,7 @@ share/man/man1/octopus.1.gz %%DATADIR%%/testsuite/lda_u/04-ACBN0_isolated.test %%DATADIR%%/testsuite/lda_u/05-forces.01-Na2.inp %%DATADIR%%/testsuite/lda_u/05-forces.02-Na2_go.inp +%%DATADIR%%/testsuite/lda_u/05-forces.03-Na2_go_ACBN0.inp %%DATADIR%%/testsuite/lda_u/05-forces.test %%DATADIR%%/testsuite/lda_u/06-laser.01-gs.inp %%DATADIR%%/testsuite/lda_u/06-laser.02-length_gauge.inp @@ -1296,6 +1361,8 @@ share/man/man1/octopus.1.gz 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