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Re: Verwendung von MolMol

"Dr. Bernhard Kleine" <bernhard.kleine@mne.uka.de> schrieb:

> ..
> Läuft das Programm denn jetzt? 

Ja (ich bin aber für die Doku zu dumm. Wie messe ich den Abstand zweier
Atome)? 

> Erscheint das Herstellen ein deb-Paketes
> möglich? 

Ja, schon. Aber es wird etwas Arbeit brauchen, daher kann ich jetzt noch
keines anbieten. Ich habe schon mal in der debian-mentors-Liste
angefragt, dort wurden zwei Vorschläge gemacht, wie man aus den beiden
tar.gz ein Paket baut.

> oder gibts Du eine genaue Anleitung heraus?

Oh, Entschuldigung - ich wollte natürlich makedef mit dazu packen, habe
es aber vergessen. Ich hänge sie unten an.
Naja, ist dir das genau genug:

1. src.tar.gz in eigenem Verzeichnis entpacken, makedef aus dem
   Attachment (kommt das durch die Listsoftware) in das Verzeichnis
   kopieren. 

2. Die Korrektur in dem einen c-File, die ich oben gepostet habe,
   durchführen 

3. make; cd src/main; strip molmol; mv molmol molmol.lnx

4. Als root ein Verzeichnis unter /usr/local erstellen,
   z.B. /usr/local/molmol 

5. Dorthin das binary molmol.lnx kopieren und den Inhalt von doc.tar.gz
   entpacken.

6. ./INSTALL ausführen

7. Am besten einen Link anlegen:

/usr/local/bin# ln -s ../molmol/molmol molmol

Der zeigt auf das wrapper-Skript, nicht auf molmol.lnx

Gruß, Frank





# If your system supports OpenGL or XGL, the program can generate
# TIFF, JPEG and PNG files. In this case, the corresponding libraries
# (libtiff by Sam Leffler, libjpeg by Independent JPEG Group,
# libpng by Group 42) are required. Uncomment and edit the following
# lines to configure support for the desired formats.

# added for debian:

DEB_INCLUDEDIR = /usr/include
DEB_LIBDIR = /usr/lib

# Uncomment this line if TIFF support is desired, and set it to the
# directory that contains header files and library of libtiff. A copy
# of libtiff is in  distributed in the libtiff subdirectory the latest
# version is available from ftp.sgi.com.

# TIFFDIR = $(TOP)/tiff-v3.4/libtiff

TIFFDIR = $(DEB_INCLUDEDIR)

# Uncomment this line if JPEG support is desired, and set it to the
# directory that contains header files and library of libjpeg. The
# source code is availabe from ftp.uu.net:/graphics/jpeg/.

# JPEGDIR = $(TOP)/jpeg-6a

JPEGDIR = $(DEB_INCLUDEDIR)

# Uncomment these two lines if PNG support is desired, and set it to
# the directories that contain header files and libraries for libpng
# and libz. The source code is availabe from ftp.uu.net:/graphics/png/.

# PNGDIR = $(TOP)/libpng-0.89c
# ZLIBDIR = $(TOP)/zlib-1.0.2

PNGDIR = $(DEB_INCLUDEDIR)
ZLIBDIR = $(DEB_INCLUDEDIR)

# If you configured any of the above three image formats, uncomment
# the following four lines, and delete the non-relevant parts if
# necessary, i. e. if you did not configure all three formats.

IMGDEF  = -DTIFF_SUPPORT -DJPEG_SUPPORT -DPNG_SUPPORT
IMGINCL = -I$(TIFFDIR) -I$(JPEGDIR) -I$(PNGDIR) -I$(ZLIBDIR)
# IMGLIB  = $(TIFFDIR)/libtiff.a $(JPEGDIR)/libjpeg.a \
#           $(PNGDIR)/libpng.a $(ZLIBDIR)/libz.a
IMGLIB  = $(DEB_LIBDIR)/libtiff.a $(DEB_LIBDIR)/libjpeg.a \
          $(DEB_LIBDIR)/libpng.a $(DEB_LIBDIR)/libz.a

# Some systems do not have the float versions of various math functions,
# uncomment the following lines if this is the case

# MISSFUNC = -Dsqrtf=sqrt -Dexpf=exp -Dlogf=log -Dpowf=pow \
#            -Dsinf=sin -Dcosf=cos -Dtanf=tan \
#            -Dasinf=asin -Dacosf=acos -Datanf=atan -Datan2f=atan2 \
#            -Dfabsf=fabs -Dceilf=ceil

# C preprocessor. This path is often correct, edit if needed.

CPP = /lib/cpp

# Options used by preprocessor and compiler. These are typically include
# paths (-I) and symbol definitions (-D).

# MCPPFLAGS = $(MISSFUNC)
MCPPFLAGS = $(MISSFUNC) -I/usr/X11R6/include -L/usr/lib -L/usr/X11R6/lib

# C compiler. This is the correct path on many machines, adapt this if
# your C compiler is at a different location, or if you want to use a
# different compiler (e. g. gcc). The compiler must be able to handle
# ANSI C.

CC = /usr/bin/cc

# Options used by compiler, the options given as MCPPFLAGS above do not
# have to be repeated. These are typically options giving optimization
# levels etc. If your compiler needs a special switch for ANSI C, also
# add it here.

MCFLAGS = -O

# If the system needs ranlib, set the path here.

RANLIB = /bin/true

# Some system miss to write all files into libraries if files from
# different directories go into the same library, and the machine
# compiles very fast. Give a command that causes a short wait period
# if this happens (it does not hurt much otherwise, too..).

WAIT = /bin/sleep 2

# Bourne shell, this should mostly be right.

SHELL = /bin/sh

# Directories that contain the code of all supported graphics devices.
# All possibilites are listed here, remove the ones that are not desired
# or not supported (e. g. XGL only exists on Sun). Explanation:
#    gl:    GL, mostly used on SGI
#    ogl:   OpenGL, available on many machines
#    xgl:   XGL, only available on Sun
#    x11:   X11, available on all supported machines
#    no:    no graphics, text interface, possible on all supported machines
#    pov:   plotting in POV-Ray format, possible on all machines
#    rib:   plotting in RIB (RenderMan) format, possible on all machines
#    vrml1: plotting in VRML1 format, possible on all machines
#    vrml2: plotting in VRML2 (VRML97) format, possible on all machines
#    ps:    plotting in PostScript format, possible on all machines
#    fm:    plotting in FrameMaker (MIF) format, possible on all machines

# SGDEVDIR = gl ogl xgl x11 no pov rib vrml1 vrml2 ps fm
SGDEVDIR = ogl x11 no pov rib vrml1 vrml2 ps fm

# Definiton of supported graphics devices. These symbols must correspond
# to the directories defined above, there must be a -DSG_DEV_XXX for each
# directory xxx. ps has two devices, PS (black & white) and CPS (color).
# The same is true for fm, add FM3 (FrameMaker 3) and FM4 (FrameMaker 4).

# SGDEVDEF = -DSG_DEV_GL -DSG_DEV_OGL -DSG_DEV_XGL -DSG_DEV_X11 -DSG_DEV_NO -DSG_DEV_POV -DSG_DEV_RIB -DSG_DEV_VRML1 -DSG_DEV_VRML2 -DSG_DEV_PS -DSG_DEV_CPS -DSG_DEV_FM3 -DSG_DEV_FM4
SGDEVDEF = -DSG_DEV_OGL -DSG_DEV_X11 -DSG_DEV_NO -DSG_DEV_POV -DSG_DEV_RIB -DSG_DEV_VRML1 -DSG_DEV_VRML2 -DSG_DEV_PS -DSG_DEV_CPS -DSG_DEV_FM3 -DSG_DEV_FM4

# Directories that contain the code of all supported window systems.
# All possibilites are listed here, remove the ones that are not desired
# or not supported. Explanation:
#    motif: Motif (1.1 and 1.2 are tested)
#    tty: text interface

PUDEVDIR = motif tty

# Definiton of supported window systems. These symbols must correspond
# to the directories defined above, there must be a -DPU_DEV_XXX for each
# directory xxx.

PUDEVDEF = -DPU_DEV_MOTIF -DPU_DEV_TTY

# Directories that contain the code of all supported combinations of
# window systems and graphics devices. All possibilites are listed here,
# remove the ones that are not desired or not supported. For all
# combinations, the corresponding graphics device and window system
# has to be defined in the previous variables (SG*, PU*). Explanation:
#    motgl:  Motif/GL
#    motogl: Motif/OpenGL
#    motxgl: Motif/XGL
#    motx11: Motif/X11
#    ttyno:  TTY/NO

# IODEVDIR = motgl motogl motxgl motx11 ttyno
IODEVDIR = motogl motx11 ttyno

# Definiton of supported combinations of window systems and graphics
# devices. These symbols must correspond to the directories defined above,
# there must be a -DIO_DEV_XXX_YYY for each directory xxxyyy.

# IODEVDEF = -DIO_DEV_MOTIF_GL -DIO_DEV_MOTIF_OGL -DIO_DEV_MOTIF_XGL -DIO_DEV_MOTIF_X11 -DIO_DEV_MOTIF_XGL -DIO_DEV_TTY_NO
IODEVDEF =  -DIO_DEV_MOTIF_OGL -DIO_DEV_MOTIF_X11 -DIO_DEV_TTY_NO

# Put special defines for OpenGL code here if necessary.
# If OPENGL_SGI_STEREO is defined, old style SGI fullscreen stereo
# support is compiled in.
# There is a bug in IRIX 5.3 (fixed in patch #1333 for IRIX 6.2) that
# causes the stereo buffers for stereo in a window to be exchanged,
# this is worked around if OPENGL_STEREO_BUG is defined.

# OPENGLDEF = -DOPENGL_SGI_STEREO -DOPENGL_STEREO_BUG

# Motif header files on some systems do not have prototypes unless this
# variable is defined. Does not hurt otherwise.

MOTIFDEF = -DFUNCPROTO

# Libraries required for linking. This is very system specific, look at
# the examples in other makedef.* files. If you are not sure what you
# need, just try with a minimal set (like the one listed here), and add
# the required libraries until you have no undefined symbols.

SYSLIB = -lXm -lXt -lX11 -lm -lGL -lGLw -lGLU -lpthread

# Do not change anything below this line.

TOOLSDIR = $(TOP)/tools
SGDIR    = $(TOP)/sg

-- 
Frank Küster, Biozentrum der Univ. Basel
Abt. Biophysikalische Chemie
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