svn commit: r535499 - in head/science/xcrysden: . files

Yuri Victorovich yuri at FreeBSD.org
Sat May 16 20:16:49 UTC 2020 

Author: yuri
Date: Sat May 16 20:16:48 2020
New Revision: 535499
URL: https://svnweb.freebsd.org/changeset/ports/535499

Log:
  science/xcrysden: Update 1.5.60 -> 1.6.2
  
  Reported by:	portscout

Deleted:
  head/science/xcrysden/files/patch-F_gengeom.f
Modified:
  head/science/xcrysden/Makefile
  head/science/xcrysden/distinfo
  head/science/xcrysden/files/Make.sys
  head/science/xcrysden/files/patch-Makefile
  head/science/xcrysden/pkg-plist

Modified: head/science/xcrysden/Makefile
==============================================================================
--- head/science/xcrysden/Makefile	Sat May 16 20:16:02 2020	(r535498)
+++ head/science/xcrysden/Makefile	Sat May 16 20:16:48 2020	(r535499)
@@ -1,8 +1,7 @@
 # $FreeBSD$
 
 PORTNAME=	xcrysden
-DISTVERSION=	1.5.60
-PORTREVISION=	8
+DISTVERSION=	1.6.2
 CATEGORIES=	science
 MASTER_SITES=	http://www.xcrysden.org/download/
 
@@ -12,9 +11,11 @@ COMMENT=	Crystalline and molecular structure visualisa
 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
@@ -23,16 +24,28 @@ 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 <bsd.port.mk>

Modified: head/science/xcrysden/distinfo
==============================================================================
--- head/science/xcrysden/distinfo	Sat May 16 20:16:02 2020	(r535498)
+++ head/science/xcrysden/distinfo	Sat May 16 20:16:48 2020	(r535499)
@@ -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

Modified: head/science/xcrysden/files/Make.sys
==============================================================================
--- head/science/xcrysden/files/Make.sys	Sat May 16 20:16:02 2020	(r535498)
+++ head/science/xcrysden/files/Make.sys	Sat May 16 20:16:48 2020	(r535499)
@@ -16,7 +16,7 @@ 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
@@ -41,12 +41,12 @@ 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
 
@@ -54,10 +54,10 @@ EXT_LIB      = -L/usr/local/lib -lgl2ps
 # 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 =
 

Modified: head/science/xcrysden/files/patch-Makefile
==============================================================================
--- head/science/xcrysden/files/patch-Makefile	Sat May 16 20:16:02 2020	(r535498)
+++ head/science/xcrysden/files/patch-Makefile	Sat May 16 20:16:48 2020	(r535499)
@@ -1,6 +1,6 @@
---- 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)
@@ -9,42 +9,3 @@
  
  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
- 
- 

Modified: head/science/xcrysden/pkg-plist
==============================================================================
--- head/science/xcrysden/pkg-plist	Sat May 16 20:16:02 2020	(r535498)
+++ head/science/xcrysden/pkg-plist	Sat May 16 20:16:48 2020	(r535499)
@@ -18,6 +18,7 @@ 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
@@ -25,12 +26,13 @@ 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
@@ -112,6 +114,7 @@ man/man1/xcrysden.1.gz
 %%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
@@ -124,6 +127,7 @@ man/man1/xcrysden.1.gz
 %%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
@@ -142,6 +146,7 @@ man/man1/xcrysden.1.gz
 %%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
@@ -157,108 +162,11 @@ man/man1/xcrysden.1.gz
 %%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
-%%DATADIR%%/examples/WIEN_struct_files/fef2.struct
-%%DATADIR%%/examples/WIEN_struct_files/ferrocen.struct
-%%DATADIR%%/examples/WIEN_struct_files/gaas.struct
-%%DATADIR%%/examples/WIEN_struct_files/in2o3.struct
-%%DATADIR%%/examples/WIEN_struct_files/mos2.struct
-%%DATADIR%%/examples/WIEN_struct_files/pt.struct
-%%DATADIR%%/examples/WIEN_struct_files/si111.struct
-%%DATADIR%%/examples/WIEN_struct_files/tellur.struct
-%%DATADIR%%/examples/WIEN_struct_files/ybco7.struct
-%%DATADIR%%/examples/WIEN_struct_files/yfe2.struct
-%%DATADIR%%/examples/XSF_Files/1.xsf
-%%DATADIR%%/examples/XSF_Files/1symb.xsf
-%%DATADIR%%/examples/XSF_Files/2.xsf
-%%DATADIR%%/examples/XSF_Files/ANIM.axsf
-%%DATADIR%%/examples/XSF_Files/ANIMsymb.axsf
-%%DATADIR%%/examples/XSF_Files/CO_homo.xsf.gz
-%%DATADIR%%/examples/XSF_Files/CO_lumo.xsf.gz
-%%DATADIR%%/examples/XSF_Files/GaAsH.xsf
-%%DATADIR%%/examples/XSF_Files/README
-%%DATADIR%%/examples/XSF_Files/ZnS.xsf
-%%DATADIR%%/examples/XSF_Files/ZnS_variable-cell.axsf
-%%DATADIR%%/examples/XSF_Files/bucky.xsf
-%%DATADIR%%/examples/XSF_Files/c2h4:Ag001.xsf
-%%DATADIR%%/examples/XSF_Files/fcc-410-1x1.xsf
-%%DATADIR%%/examples/XSF_Files/mol-urea.xsf.gz
-%%DATADIR%%/examples/XSF_Files/mol-urea2D.xsf
-%%DATADIR%%/examples/XSF_Files/oxirane_homo.xsf.gz
-%%DATADIR%%/examples/XSF_Files/vector_field.xsf
-%%DATADIR%%/examples/XSF_Files/zro2cluster.xsf
-%%DATADIR%%/examples/XYZ/anim.xyz
-%%DATADIR%%/examples/XYZ/bucky.xyz
-%%DATADIR%%/examples/XYZ/mol1.xyz
-%%DATADIR%%/examples/XYZ/mol2.xyz
 %%DATADIR%%/images/ak.gif
 %%DATADIR%%/images/backward.gif
 %%DATADIR%%/images/ballsticks1_2d.gif
@@ -352,6 +260,7 @@ man/man1/xcrysden.1.gz
 %%DATADIR%%/scripts/g98toxsf.sh
 %%DATADIR%%/scripts/gzmat2xsf.sh
 %%DATADIR%%/scripts/launch.sh
+%%DATADIR%%/scripts/orca2xsf.sh
 %%DATADIR%%/scripts/pwGetNC.sh
 %%DATADIR%%/scripts/pwLib_old.sh
 %%DATADIR%%/scripts/pwd.sh

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