Index: head/science/xcrysden/Makefile =================================================================== --- head/science/xcrysden/Makefile (revision 535498) +++ head/science/xcrysden/Makefile (revision 535499) @@ -1,38 +1,51 @@ # $FreeBSD$ PORTNAME= xcrysden -DISTVERSION= 1.5.60 -PORTREVISION= 8 +DISTVERSION= 1.6.2 CATEGORIES= science MASTER_SITES= http://www.xcrysden.org/download/ MAINTAINER= yuri@FreeBSD.org COMMENT= Crystalline and molecular structure visualisation program LICENSE= GPLv2 LICENSE_FILE= ${WRKSRC}/COPYING -LIB_DEPENDS= libfftw3.so:math/fftw3 +LIB_DEPENDS= libfftw3.so:math/fftw3 \ + libgl2ps.so:print/gl2ps \ + libTogl2.0.so:graphics/togl RUN_DEPENDS= bwidget>0:x11-toolkits/bwidget \ - babel:science/openbabel \ + obabel:science/openbabel \ convert:graphics/ImageMagick6 \ ppmtompeg:graphics/netpbm \ xwd:x11/xwd USES= fortran gl gmake localbase:ldflags tcl tk xorg USE_GL= gl glu USE_XORG= x11 xmu +MAKE_ARGS= prefix=${STAGEDIR}${PREFIX} + BINARY_ALIAS= make=gmake gcc=cc gfortran=gfortran${GCC_DEFAULT} +OPTIONS_DEFINE= EXAMPLES + +PORTEXAMPLES= * + post-patch: @${CP} ${FILESDIR}/Make.sys ${WRKSRC} - @${REINPLACE_CMD} -e 's|/usr/local|${LOCALBASE}|' ${WRKSRC}/Make.sys + @${REINPLACE_CMD} -e 's|%%LOCALBASE%%|${LOCALBASE}|g' ${WRKSRC}/Make.sys @${RM} -r ${WRKSRC}/external/src post-install: - @cd ${STAGEDIR}${PREFIX}/lib/${PORTNAME} && ${STRIP_CMD} xcrys xctclsh xsf2xsf - @${REINPLACE_CMD} -i '' -e 's|^\.|export LD_PRELOAD=/usr/local/lib/gcc${GCC_DEFAULT}/libgcc_s.so; .|' \ - ${STAGEDIR}${PREFIX}/bin/xcrysden + # stagedir shouldn't be in executables + @${REINPLACE_CMD} -i '' -e 's|${STAGEDIR}||' ${STAGEDIR}${PREFIX}/bin/* + # remove bad symlinks + @${RM} \ + ${STAGEDIR}${PREFIX}/share/doc/xcrysden/examples/examples \ + ${STAGEDIR}${PREFIX}/share/xcrysden/examples + @${STRIP_CMD} ${STAGEDIR}${PREFIX}/lib/xcrysden/* + # move examples from the docs dir + @${MV} ${STAGEDIR}${DOCSDIR}/examples ${STAGEDIR}${EXAMPLESDIR} .include Index: head/science/xcrysden/distinfo =================================================================== --- head/science/xcrysden/distinfo (revision 535498) +++ head/science/xcrysden/distinfo (revision 535499) @@ -1,3 +1,3 @@ -TIMESTAMP = 1532024371 -SHA256 (xcrysden-1.5.60.tar.gz) = a695729f1bb3e486b86a74106c06a392c8aca048dc6b0f20785c3c311cfb2ef4 -SIZE (xcrysden-1.5.60.tar.gz) = 2287050 +TIMESTAMP = 1578860695 +SHA256 (xcrysden-1.6.2.tar.gz) = 811736ee598bec1a5b427fd10e4e063a30dd7cadae96a43a50b36ce90a4f503f +SIZE (xcrysden-1.6.2.tar.gz) = 2460277 Index: head/science/xcrysden/files/patch-F_gengeom.f =================================================================== --- head/science/xcrysden/files/patch-F_gengeom.f (revision 535498) +++ head/science/xcrysden/files/patch-F_gengeom.f (nonexistent) @@ -1,17 +0,0 @@ -Temporary fix for gcc8 breakage: https://bugs.freebsd.org/bugzilla/show_bug.cgi?id=232960 -Source: http://www.democritos.it/pipermail/xcrysden/2018-October/001929.html - ---- F/gengeom.f 2012-02-03 11:53:05.000000000 +0100 -+++ F/gengeom.f 2018-10-30 08:58:33.624408287 +0100 -@@ -905,9 +905,9 @@ - - SUBROUTINE GETCCOOR(A33,B33,BROW,X,Y,Z,XC,YC,ZC,NA,NATR) - include 'param.inc' -- REAL*8 B33(3,4),A33(3,3),RA(3,3),COOR(3),X(NATR),Y(NATR),Z(NATR), -- * XC(NAC,4),YC(NAC,4),ZC(NAC,4),RX(3) - INTEGER BROW -+ REAL*8 B33(3,BROW),A33(3,3),RA(3,3),COOR(3),X(NATR),Y(NATR), -+ * Z(NATR),XC(NAC,4),YC(NAC,4),ZC(NAC,4),RX(3) - - C ******** - C ATTENTION: HERE WE HAVE MULT. OFF "SAME-LAYING" ELEMENTS, Property changes on: head/science/xcrysden/files/patch-F_gengeom.f ___________________________________________________________________ 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/xcrysden/files/Make.sys =================================================================== --- head/science/xcrysden/files/Make.sys (revision 535498) +++ head/science/xcrysden/files/Make.sys (revision 535499) @@ -1,64 +1,64 @@ ######################################################################### # # System-dependent definitions suitable for compiling xcrysden using # a system shared libraries (needs Tcl/Tk/GL/GLU/FFTW libraries) # ######################################################################## #------------------------------------------------------------------------ # if you have a GNU make it is better to set the MAKE variable to point # to gnu make #------------------------------------------------------------------------ MAKE = make #------------------------------------------------------------------------ # compilers & flags #------------------------------------------------------------------------ -CFLAGS = -ffast-math -funroll-loops -fPIC -DUSE_FONTS -pedantic -Wall -DUSE_INTERP_RESULT +CFLAGS += -ffast-math -funroll-loops -fPIC -DUSE_FONTS -pedantic -Wall -DUSE_INTERP_RESULT CC = gcc -g #LDLIB = -ldl MATH = -lm -lc FFLAGS = FC = gfortran -fdefault-double-8 -fdefault-real-8 -O2 #------------------------------------------- #debug options #CFLAGS = -g #------------------------------------------- #------------------------------------------------------------------------ # X-libraries & include files #------------------------------------------------------------------------ X_LIB = -lXmu -lX11 X_INCDIR = #------------------------------------------------------------------------ # # Libraries # -TCL_LIB = -L/usr/local/lib -ltcl86 -TK_LIB = -L/usr/local/lib -ltk86 -GLU_LIB = -L/usr/local/lib -lGLU -GL_LIB = -L/usr/local/lib -lGL -FFTW3_LIB = -L/usr/local/lib -lfftw3 -EXT_LIB = -L/usr/local/lib -lgl2ps +TCL_LIB = -L%%LOCALBASE%%/lib -ltcl86 +TK_LIB = -L%%LOCALBASE%%/lib -ltk86 +GLU_LIB = -L%%LOCALBASE%%/lib -lGLU +GL_LIB = -L%%LOCALBASE%%/lib -lGL +FFTW3_LIB = -L%%LOCALBASE%%/lib -lfftw3 +EXT_LIB = -L%%LOCALBASE%%/lib -lgl2ps -L%%LOCALBASE%%/lib/Togl2.0 -lTogl2.0 # this is only used for some testing purposes #MESCHACH_LIB = -lmeschach # # Include directories # -TCL_INCDIR = -I/usr/local/include/tcl8.6 -TK_INCDIR = -I/usr/local/include/tk8.6 -GL_INCDIR = -I/usr/local/include -FFTW3_INCDIR = -I/usr/local/include +TCL_INCDIR = -I%%LOCALBASE%%/include/tcl8.6 +TK_INCDIR = -I%%LOCALBASE%%/include/tk8.6 +GL_INCDIR = -I%%LOCALBASE%%/include +FFTW3_INCDIR = -I%%LOCALBASE%%/include # this is only used for some testing purposes #MESCHACH_INCDIR = #------------------------------------------------------------------------ Index: head/science/xcrysden/files/patch-Makefile =================================================================== --- head/science/xcrysden/files/patch-Makefile (revision 535498) +++ head/science/xcrysden/files/patch-Makefile (revision 535499) @@ -1,50 +1,11 @@ ---- Makefile.orig 2014-06-25 21:07:29 UTC +--- Makefile.orig 2019-10-29 11:37:45 UTC +++ Makefile -@@ -228,7 +228,7 @@ BIN_FILES = bin/ +@@ -236,7 +236,7 @@ BIN_FILES = bin/ prefix ?= /usr/local version := $(shell cat version) -xcrysden = xcrysden-$(version) +xcrysden = xcrysden install: xcrysden @echo -@@ -238,27 +238,27 @@ install: xcrysden - @echo "# " - @echo "#-----" - @echo -- install -m755 -d $(prefix)/share/$(xcrysden) -- cp -a $(IRON_ITEMS) $(prefix)/share/$(xcrysden) -+ install -m755 -d $(DESTDIR)$(prefix)/share/$(xcrysden) -+ cp -a $(IRON_ITEMS) $(DESTDIR)$(prefix)/share/$(xcrysden) - \ - for subdir in Awk examples $(EXTERNAL_LIB_BWIDGET) images scripts Tcl util; do \ - if test -d $$subdir; then \ -- install -m755 -d $(prefix)/share/$(xcrysden)/$$subdir; \ -- cp -a $$subdir/* $(prefix)/share/$(xcrysden)/$$subdir; \ -+ install -m755 -d $(DESTDIR)$(prefix)/share/$(xcrysden)/$$subdir; \ -+ cp -a $$subdir/* $(DESTDIR)$(prefix)/share/$(xcrysden)/$$subdir; \ - fi; \ - done - \ -- install -m755 -d $(prefix)/share/man/man1 -- install -m644 $(MAN_FILES) $(prefix)/share/man/man1/ -- gzip -f $(addprefix $(prefix)/share/man/man1/,$(MAN_PAGES)) -+ install -m755 -d $(DESTDIR)$(prefix)/man/man1 -+ install -m644 $(MAN_FILES) $(DESTDIR)$(prefix)/man/man1/ -+ gzip -f $(addprefix $(DESTDIR)$(prefix)/man/man1/,$(MAN_PAGES)) - \ -- install -m755 -d $(prefix)/lib/$(xcrysden) -- install -m755 bin/* $(prefix)/lib/$(xcrysden)/ -+ install -m755 -d $(DESTDIR)$(prefix)/lib/$(xcrysden) -+ install -m755 bin/* $(DESTDIR)$(prefix)/lib/$(xcrysden)/ - \ - prefix=$(prefix) xcrysden=$(xcrysden) sh sys_utils/wrappers.sh -- if test ! -d $(prefix)/bin; then install -m755 -d $(prefix)/bin; fi -+ if test ! -d $(DESTDIR)$(prefix)/bin; then install -m755 -d $(DESTDIR)$(prefix)/bin; fi - for prog in $(PROGS); do \ -- install -m755 $$prog.wrapper $(prefix)/bin/$$prog; \ -+ install -m755 $$prog.wrapper $(DESTDIR)$(prefix)/bin/$$prog; \ - done - - Index: head/science/xcrysden/pkg-plist =================================================================== --- head/science/xcrysden/pkg-plist (revision 535498) +++ head/science/xcrysden/pkg-plist (revision 535499) @@ -1,374 +1,283 @@ bin/ptable bin/pwi2xsf bin/pwo2xsf bin/unitconv bin/xcrysden lib/xcrysden/atomlab lib/xcrysden/calplane lib/xcrysden/cube2xsf lib/xcrysden/fhi_coord2xcr lib/xcrysden/fhi_inpini2ftn34 lib/xcrysden/fracCoor lib/xcrysden/fsReadBXSF lib/xcrysden/ftnunit lib/xcrysden/gengeom lib/xcrysden/kPath lib/xcrysden/multislab lib/xcrysden/nn lib/xcrysden/pwKPath lib/xcrysden/pwi2xsf lib/xcrysden/pwi2xsf_old +lib/xcrysden/pwo_xsf2xsf lib/xcrysden/recvec lib/xcrysden/savestruct lib/xcrysden/str2xcr lib/xcrysden/wn_readbakgen lib/xcrysden/wn_readbands lib/xcrysden/xcrys lib/xcrysden/xctclsh +lib/xcrysden/xsf2cube lib/xcrysden/xsf2xsf -man/man1/ptable.1.gz -man/man1/pwi2xsf.1.gz -man/man1/pwo2xsf.1.gz -man/man1/unitconv.1.gz -man/man1/xcrysden.1.gz +share/man/man1/ptable.1.gz +share/man/man1/pwi2xsf.1.gz +share/man/man1/pwo2xsf.1.gz +share/man/man1/unitconv.1.gz +share/man/man1/xcrysden.1.gz %%DATADIR%%/Awk/getOV.awk %%DATADIR%%/Awk/ginp.awk %%DATADIR%%/Awk/in1.awk %%DATADIR%%/Awk/pwo_coortype.awk %%DATADIR%%/Tcl/Grapher.tcl %%DATADIR%%/Tcl/Makefile %%DATADIR%%/Tcl/Viewer.tcl %%DATADIR%%/Tcl/Xcrysden_resources %%DATADIR%%/Tcl/addOption.tcl %%DATADIR%%/Tcl/advGeom.tcl %%DATADIR%%/Tcl/advGeom2.tcl %%DATADIR%%/Tcl/atomLabels.tcl %%DATADIR%%/Tcl/auxil.tcl %%DATADIR%%/Tcl/band.tcl %%DATADIR%%/Tcl/bar.tcl %%DATADIR%%/Tcl/bwid.tcl %%DATADIR%%/Tcl/bxsfOpen.tcl %%DATADIR%%/Tcl/bz.tcl %%DATADIR%%/Tcl/check_package.tcl %%DATADIR%%/Tcl/colormenu.tcl %%DATADIR%%/Tcl/colors.tcl %%DATADIR%%/Tcl/configGrapher.tcl %%DATADIR%%/Tcl/custom-definitions %%DATADIR%%/Tcl/cxxAdvGeom.tcl %%DATADIR%%/Tcl/cygwin.tcl %%DATADIR%%/Tcl/difIsoSurf.tcl %%DATADIR%%/Tcl/dispModes.tcl %%DATADIR%%/Tcl/dos.tcl %%DATADIR%%/Tcl/dumpWindow.tcl %%DATADIR%%/Tcl/edit.tcl %%DATADIR%%/Tcl/fhiPreset.tcl %%DATADIR%%/Tcl/fileselect.tcl %%DATADIR%%/Tcl/find_package.tcl %%DATADIR%%/Tcl/fontWidget.tcl %%DATADIR%%/Tcl/forces.tcl %%DATADIR%%/Tcl/fs/FS_Main.tcl %%DATADIR%%/Tcl/fs/FS_Multi.tcl %%DATADIR%%/Tcl/fs/Makefile %%DATADIR%%/Tcl/fs/bandselect.tcl %%DATADIR%%/Tcl/fs/bandwidths.tcl %%DATADIR%%/Tcl/fs/genFSInit.tcl %%DATADIR%%/Tcl/fs/header.tcl %%DATADIR%%/Tcl/fs/interpolate.tcl %%DATADIR%%/Tcl/fs/tclIndex %%DATADIR%%/Tcl/fs/toolbox.tcl %%DATADIR%%/Tcl/fs/wnFS.tcl %%DATADIR%%/Tcl/fs/wnFSInit.tcl %%DATADIR%%/Tcl/fs/wnReadStruct.tcl %%DATADIR%%/Tcl/g98.tcl %%DATADIR%%/Tcl/genWidget.tcl %%DATADIR%%/Tcl/gengeom.tcl %%DATADIR%%/Tcl/gifAnim.tcl %%DATADIR%%/Tcl/glLight.tcl %%DATADIR%%/Tcl/glModParam.tcl %%DATADIR%%/Tcl/go2crys.tcl %%DATADIR%%/Tcl/grid.tcl %%DATADIR%%/Tcl/groupSel.tcl %%DATADIR%%/Tcl/groups.tcl %%DATADIR%%/Tcl/gzmat.tcl %%DATADIR%%/Tcl/hbonds.tcl %%DATADIR%%/Tcl/header.tcl %%DATADIR%%/Tcl/isoControl.tcl %%DATADIR%%/Tcl/isoRender.tcl %%DATADIR%%/Tcl/isoStuff.tcl %%DATADIR%%/Tcl/kLabels.tcl %%DATADIR%%/Tcl/kPath.tcl %%DATADIR%%/Tcl/loadAttributes.tcl %%DATADIR%%/Tcl/menu.tcl %%DATADIR%%/Tcl/modAtomAtrib.tcl %%DATADIR%%/Tcl/modify.tcl %%DATADIR%%/Tcl/movieEncoders.tcl %%DATADIR%%/Tcl/movieMaker.tcl %%DATADIR%%/Tcl/mpegParam.tcl %%DATADIR%%/Tcl/multiWid.tcl %%DATADIR%%/Tcl/newInput.tcl %%DATADIR%%/Tcl/number.tcl %%DATADIR%%/Tcl/openExtStruct.tcl %%DATADIR%%/Tcl/openGLpar.tcl %%DATADIR%%/Tcl/openInput.tcl %%DATADIR%%/Tcl/parseComLinArg.tcl %%DATADIR%%/Tcl/parseDataGrid.tcl +%%DATADIR%%/Tcl/pdb.tcl %%DATADIR%%/Tcl/planeselect.tcl %%DATADIR%%/Tcl/popupMenu.tcl %%DATADIR%%/Tcl/print.tcl %%DATADIR%%/Tcl/printCanvas.tcl %%DATADIR%%/Tcl/propC95.tcl %%DATADIR%%/Tcl/propInit.tcl %%DATADIR%%/Tcl/propertyPlane.tcl %%DATADIR%%/Tcl/pseudoDen.tcl %%DATADIR%%/Tcl/ptable.tcl %%DATADIR%%/Tcl/pwPreset.tcl %%DATADIR%%/Tcl/read25.tcl %%DATADIR%%/Tcl/readParam.tcl +%%DATADIR%%/Tcl/reload.tcl %%DATADIR%%/Tcl/runC95.tcl %%DATADIR%%/Tcl/sInfo.tcl %%DATADIR%%/Tcl/saveState.tcl %%DATADIR%%/Tcl/scripting.tcl %%DATADIR%%/Tcl/scriptingAtomicLabels.tcl %%DATADIR%%/Tcl/scriptingFilter.tcl %%DATADIR%%/Tcl/scriptingMakeMovie.tcl %%DATADIR%%/Tcl/scriptingScalarField2D.tcl %%DATADIR%%/Tcl/scriptingScalarField3D.tcl %%DATADIR%%/Tcl/scroll.tcl %%DATADIR%%/Tcl/selection.tcl %%DATADIR%%/Tcl/setIsosurfArray.tcl %%DATADIR%%/Tcl/sizes.tcl %%DATADIR%%/Tcl/state.tcl %%DATADIR%%/Tcl/stereo.tcl %%DATADIR%%/Tcl/tclIndex %%DATADIR%%/Tcl/test.tcl %%DATADIR%%/Tcl/thermometer.tcl +%%DATADIR%%/Tcl/toglOpt.tcl %%DATADIR%%/Tcl/toglZoom.tcl %%DATADIR%%/Tcl/undoAdvGeom.tcl %%DATADIR%%/Tcl/unmapWin.tcl %%DATADIR%%/Tcl/wigner.tcl %%DATADIR%%/Tcl/wnDensity.tcl %%DATADIR%%/Tcl/wnDetComOpt.tcl %%DATADIR%%/Tcl/wnKPath.tcl %%DATADIR%%/Tcl/wnMultiSlab.tcl %%DATADIR%%/Tcl/wnOpen.tcl %%DATADIR%%/Tcl/wnRunWIEN.tcl %%DATADIR%%/Tcl/wnSaveSFile.tcl %%DATADIR%%/Tcl/xcAbout.tcl %%DATADIR%%/Tcl/xcInit.tcl %%DATADIR%%/Tcl/xcInitLib.tcl %%DATADIR%%/Tcl/xctr.tcl +%%DATADIR%%/Tcl/xlfd.tcl +%%DATADIR%%/Tcl/xsf2Open.tcl %%DATADIR%%/Tcl/xsfAnim.tcl %%DATADIR%%/Tcl/xsfOpen.tcl %%DATADIR%%/Tcl/xyz.tcl -%%DATADIR%%/examples/CRYSTALxx_input_files/Pt322.r1 -%%DATADIR%%/examples/CRYSTALxx_input_files/Pt_fcc.r1 -%%DATADIR%%/examples/CRYSTALxx_input_files/ZnS.r1 -%%DATADIR%%/examples/CRYSTALxx_input_files/argonite.r1 -%%DATADIR%%/examples/CRYSTALxx_input_files/calcite.r1 -%%DATADIR%%/examples/CRYSTALxx_input_files/chabazite.r1 -%%DATADIR%%/examples/CRYSTALxx_input_files/cluster.r1 -%%DATADIR%%/examples/CRYSTALxx_input_files/corundum.r1 -%%DATADIR%%/examples/CRYSTALxx_input_files/cuprite.r1 -%%DATADIR%%/examples/CRYSTALxx_input_files/graphite.r1 -%%DATADIR%%/examples/CRYSTALxx_input_files/mgo.r1 -%%DATADIR%%/examples/CRYSTALxx_input_files/polymer.r1 -%%DATADIR%%/examples/CRYSTALxx_input_files/pyrite.r1 -%%DATADIR%%/examples/CRYSTALxx_input_files/rutile.r1 -%%DATADIR%%/examples/CRYSTALxx_input_files/urea.r1 -%%DATADIR%%/examples/CRYSTALxx_input_files/zro2.r1 -%%DATADIR%%/examples/FHI98MD_files/GaAsSurface_coord.out -%%DATADIR%%/examples/FHI98MD_files/GaAsSurface_inp.ini -%%DATADIR%%/examples/FHI98MD_files/GaAs_inp.ini -%%DATADIR%%/examples/FermiSurface/MgB2.bxsf.gz -%%DATADIR%%/examples/FermiSurface/RhBulkFcc.bxsf.gz -%%DATADIR%%/examples/GAUSSIAN_files/N2O_homo+lumo.cube.gz -%%DATADIR%%/examples/GAUSSIAN_files/benzene-6CH3-OCH3.g98 -%%DATADIR%%/examples/GAUSSIAN_files/benzene.g98_out -%%DATADIR%%/examples/Makefile -%%DATADIR%%/examples/PDB/bucky.pdb -%%DATADIR%%/examples/PDB/cluster.pdb -%%DATADIR%%/examples/PDB/mol2.pdb -%%DATADIR%%/examples/PWSCF_files/CH3Rh111.inp -%%DATADIR%%/examples/PWSCF_files/CH3Rh111.out -%%DATADIR%%/examples/PWSCF_files/EthAl001-2x2.inp -%%DATADIR%%/examples/PWSCF_files/EthAl001-2x2.out -%%DATADIR%%/examples/README -%%DATADIR%%/examples/Scripting/ZnS_molsurf.xcrysden -%%DATADIR%%/examples/Scripting/animation.tcl -%%DATADIR%%/examples/Scripting/atomic_labels.tcl -%%DATADIR%%/examples/Scripting/build_crystal.tcl -%%DATADIR%%/examples/Scripting/build_crystal.tcl.bck -%%DATADIR%%/examples/Scripting/colorplane_animation.tcl -%%DATADIR%%/examples/Scripting/colorplane_animation.tcl.bck -%%DATADIR%%/examples/Scripting/contours.tcl -%%DATADIR%%/examples/Scripting/contours.tcl.bck -%%DATADIR%%/examples/Scripting/g98cube.tcl -%%DATADIR%%/examples/Scripting/g98cube_multiScript.tcl -%%DATADIR%%/examples/Scripting/isosurface+colorplane+print.tcl -%%DATADIR%%/examples/Scripting/isosurface+colorplane+print.tcl.bck -%%DATADIR%%/examples/Scripting/movie.tcl -%%DATADIR%%/examples/Scripting/multiScript.tcl -%%DATADIR%%/examples/Scripting/multiScript.tcl.bck -%%DATADIR%%/examples/Scripting/plot_all_MO.sh -%%DATADIR%%/examples/Scripting/pw_filters.tcl -%%DATADIR%%/examples/Scripting/pwofilter.tcl -%%DATADIR%%/examples/WIEN_struct_files/a-quartz.struct -%%DATADIR%%/examples/WIEN_struct_files/al2o3.struct -%%DATADIR%%/examples/WIEN_struct_files/b12.struct -%%DATADIR%%/examples/WIEN_struct_files/bi.struct -%%DATADIR%%/examples/WIEN_struct_files/cab6.struct -%%DATADIR%%/examples/WIEN_struct_files/cd16te15sb.struct -%%DATADIR%%/examples/WIEN_struct_files/cd8te7sb.struct -%%DATADIR%%/examples/WIEN_struct_files/coo.struct -%%DATADIR%%/examples/WIEN_struct_files/cos2.struct -%%DATADIR%%/examples/WIEN_struct_files/cr2o3.struct -%%DATADIR%%/examples/WIEN_struct_files/crb2.struct -%%DATADIR%%/examples/WIEN_struct_files/fe2p.struct -%%DATADIR%%/examples/WIEN_struct_files/fe4n.struct -%%DATADIR%%/examples/WIEN_struct_files/fecl2.struct 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