Package: gopenmol Version: 3.00 Revision: 1 GCC: 3.3 Description: Molecular visualization and analysis program DescDetail: << With gOpenMol small molecules, and to lesser extent protein structures, as well as the chemical properties, total electron densities and molecule orbitals of small molecules can be visualized and analyzed. Data from a variety of computational chemistry programs such as TurboMole, Gaussian, Gamess, etc., can be analyzed if the output files from these programs have been converted into the .plt-file format understood by gOpenMol. Moreover, dynamics done with, e.g., InsightII can be visualized and a short mpeg animation of the dynamics files generated. Copyright info (from the website): The program is distributed free of charge for academic installations and academic use. If you have used gOpenMol for your publication, please use the following references: * Laaksonen, L. (1992) A graphics program for the analysis and display of molecular dynamics trajectories. J. Mol. Graph. 10: 33-34. * Bergman, D.L., Laaksonen, L., and Laaksonen, A. (1997) Visualization of solvation structures in liquid mixtures. J. Mol. Graph. Model. 15: 301-306. << DescPort: << Require modern tcltk to avoid bug in line-endings emitted from older tclsh Standard darwin malloc.h fix The build/install process doesn't understand how to install in a temp packaging location for later installation somewhere else, so need to fix the pathnames in some runtime scripts. Package installs lots of docs in its private hierarchies, so move to or make links from the standard share/doc/%n location. Patch install.mk to not install libs that we already have from other Fink packages. Set our Depends for each of those packages >= version that comes in Source tarball. Put libgopenmol in private lib/ instead of private bin/ Disabled icon8 because there are too many compiling problems (non-portable code and old coding standards). No default $TMP or $TMPDIR, so set GOM_TEMP in environment.txt The "rungOpenMol" script just sets variables (many of which are not needed for fink's installation and/or are not appropriate for OS X) and calls the actual "gopenmol" program, so put the key variable in a profile.d and patch install.mk to omit the wrapper. Symlink "gopenmol" from %p/bin. Data files get installed in %p/share but program looks in %p/lib (==$GOM_ROOT), so symlink them to the GOM_ROOT location. Utility programs are in %p/lib/gOpenMol-%v/bin so you have to either add that to your PATH or call the programs using the full pathname. This is so we don't conflict with (for example) imagemagick's convert program. This will eventually be handled automatically via a splitoff for placing these programs in PATH and/or using alternatives. Make sure local -I flags go ahead of global ones. See https://postit.csc.fi/sympa/arc/gopenmol/2007-01/msg00000.html Implements a non-standard dependency-tracking configure flag. How odd. Make sure plugins build aborts if any plugins/* build fails. See https://postit.csc.fi/sympa/arc/gopenmol/2007-01/msg00001.html Fix prototypes in p_showc.c See https://postit.csc.fi/sympa/arc/gopenmol/2006-12/msg00002.html https://postit.csc.fi/sympa/arc/gopenmol/2006-12/msg00003.html nmedit failure if building shared (misformatted symbol that doesn't exist anyway), https://postit.csc.fi/sympa/arc/gopenmol/2007-01/msg00002.html Hack gomapi.exp to remove bogus symbol. Library interface is not guaranteed to be stable (compatibility 0.0.0 and placed in %v-specific path), so no hope for true Shlibs policy. Could off-load libs/headers into into %N%v-{shlibs,dev} if others need a stable way to link it. << DescPackaging: << Starting in gopenmol-3.00-1, headers are in %p/lib/gOpenMol-%v/include not %p/include, and %N-dev is re-absorbed into %N. << DescUsage: << The main program is called "gopenmol" and is in the default fink command PATH. Utility programs are in %p/lib/gOpenMol-%v/bin so you have to either add that to your PATH or call the programs using the full pathname. May not run correctly over remote X11 << Homepage: http://www.csc.fi/gopenmol/ License: Restrictive Maintainer: Daniel Macks BuildDepends: tcltk-dev (>= 8.4.13-1), tclxml-dev, tclexpat-dev, freeglut, libjpeg, python24, g77, x11-dev Depends: tcltk (>= 8.4.13-1), tcltk-shlibs (>= 8.4.13-1), tcllib (>= 1.4-1), bwidget (>= 1.6.0), tclxml (>= 2.6-1), tclexpat (>= 2.6-1), freeglut-shlibs, libjpeg-shlibs, python24-shlibs, x11 Conflicts: %N-dev (<< %v-%r) Replaces: %N-dev (<< %v-%r) Source: http://www.csc.fi/english/pages/g0penMol/Downloads/%n-%v-linux.tar.gz Source-MD5: 4e12ee6680c093a3bf056dde1d28fea2 SourceDirectory: gOpenMol-%v Patch: %n.patch PatchScript: << perl -pi -e 's///' `find . -name \*.\[hc\]` perl -pi -e 's#__fink_d__#%d#g;s#__fink_p__#%p#g' src/config.mk.ac src/unix/make/install.mk << ConfigureParams: --with-x --enable-shared --disable-deps CompileScript: << #!/bin/sh -ev cd src TCLSH=%p/bin/tclsh PYTHON=%p/bin/python2.4 ./configure %c # perl -pi -e 's/.*def.*\s(ENABLE_EXTENSIONS).*/#define \1/' config.h make all << InstallScript: << cd src; make prefix=%i install mkdir -p -m 0755 %i/bin ln -s %p/lib/gOpenMol-%v/bin/gopenmol %i/bin mkdir -p -m 0755 %i/share/doc/%n ln -s %p/share/gOpenMol-%v/help %i/share/doc/%n/html mv %i/share/gOpenMol-%v/docs/* %i/share/doc/%n rmdir %i/share/gOpenMol-%v/docs mv %i/share/gOpenMol-%v/utility %i/share/doc/%n rm %i/share/gOpenMol-%v/README-GLUT-win32.txt mv %i/share/gOpenMol-%v/{COPYRIGHT,README.txt} %i/share/doc/%n mv %i/include %i/lib/gOpenMol-%v ln -s %p/share/gOpenMol-%v/{data,demo,help} %i/lib/gOpenMol-%v << RuntimeVars: << GOM_ROOT: %p/lib/gOpenMol-%v <<