#!/usr/bin/env python # # This script only applies if you are performing a Python Distutils-based # installation of PyMOL. # # It may assume that all of PyMOL's external dependencies are # pre-installed into the system. from distutils.core import setup, Extension import sys, os #============================================================================ if sys.platform=='win32': # NOTE: this branch not tested in years and may not work... inc_dirs=["ov/src", "layer0","layer1","layer2", "layer3","layer4","layer5", "win32/include"] libs=["opengl32","glu32","glut32","libpng","zlib"] pyogl_libs = ["opengl32","glu32","glut32"] lib_dirs=["win32/lib"] def_macros=[("_PYMOL_MODULE",None), ("WIN32",None), ("_PYMOL_LIBPNG",None), ] ext_comp_args=[] ext_link_args=['/NODEFAULTLIB:"LIBC"'] #============================================================================ elif sys.platform=='cygwin': # NOTE: this branch not tested in years and may not work... inc_dirs=["ov/src", "layer0","layer1","layer2", "layer3","layer4","layer5", "modules/cealign/src", "modules/cealign/src/tnt" ] libs=["glut32","opengl32","glu32","png"] pyogl_libs = ["glut32","opengl32","glu32"] lib_dirs=["/usr/lib/w32api"] def_macros=[("_PYMOL_MODULE",None), ("CYGWIN",None), ("_PYMOL_LIBPNG",None)] ext_comp_args=[] ext_link_args=[] #============================================================================ elif sys.platform=='darwin': using_fink = "'/sw/" in str(sys.path) if using_fink: # under Fink, with the following packages installed: # # python27 # libpng15 # pmw-py27 # freetype219 # freeglut # glew # # REMEMBER to use Fink's Python! # try: os.makedirs("generated/include") except OSError: # ignore error if directory already exists pass try: os.makedirs("generated/src") except OSError: # ignore error if directory already exists pass import create_shadertext outputheader = open("generated/include/ShaderText.h",'w') outputfile = open("generated/src/ShaderText.c",'w') create_shadertext.create_shadertext("data/shaders", "shadertext.txt", outputheader, outputfile) outputheader.close() outputfile.close() inc_dirs=["ov/src", "layer0","layer1","layer2", "layer3","layer4","layer5", "/sw/include/freetype2/freetype", "/sw/include/freetype2", "/sw/include", "/usr/X11/include", "modules/cealign/src", "modules/cealign/src/tnt", "contrib/uiuc/plugins/include/", "contrib/uiuc/plugins/molfile_plugin/src", "generated/include", "generated/src", ] libs=[] pyogl_libs = [] lib_dirs=[] def_macros=[("_PYMOL_MODULE",None), ("_PYMOL_LIBPNG",None), ("_PYMOL_FREETYPE",None), ("_PYMOL_INLINE",None), ("_PYMOL_NUMPY",None), ("_PYMOL_OPENGL_SHADERS",None), ("NO_MMLIBS",None), ("_PYMOL_CGO_DRAWARRAYS",None), ("_PYMOL_CGO_DRAWBUFFERS",None), ("_CGO_DRAWARRAYS",None), ("_PYMOL_GL_CALLLISTS",None), ("OPENGL_ES_2",None), ] ext_comp_args=[] ext_link_args=[ "-L/sw/lib", "-lpng", "/usr/X11/lib/libGL.dylib", "/usr/X11/lib/libGLU.dylib", "-lfreeglut", "-lglew", "-L/sw/lib/freetype219/lib", "-lfreetype" ] else: # Not using Fink -- building as if we are on Linux/X11 with # the external dependencies compiled into "./ext" in the # current working directory, # # REMEMEBER to use "./ext/bin/python ..." # # create shader text try: os.makedirs("generated/include") except OSError: # ignore error if directory already exists pass try: os.makedirs("generated/src") except OSError: # ignore error if directory already exists pass import create_shadertext outputheader = open("generated/include/ShaderText.h",'w') outputfile = open("generated/src/ShaderText.c",'w') create_shadertext.create_shadertext("data/shaders", "shadertext.txt", outputheader, outputfile) outputheader.close() outputfile.close() EXT = "/opt/local" inc_dirs=["ov/src", "layer0","layer1","layer2", "layer3","layer4","layer5", EXT+"/include", EXT+"/include/GL", EXT+"/include/freetype2", "modules/cealign/src", "modules/cealign/src/tnt", "generated/include", "generated/src", ] libs=[] pyogl_libs = [] lib_dirs=[] def_macros=[("_PYMOL_MODULE",None), ("_PYMOL_LIBPNG",None), ("_PYMOL_FREETYPE",None), ("_PYMOL_INLINE",None), ("_PYMOL_NUMPY",None), ("_PYMOL_OPENGL_SHADERS",None), ("NO_MMLIBS",None), ("_PYMOL_CGO_DRAWARRAYS",None), ("_PYMOL_CGO_DRAWBUFFERS",None), ("_CGO_DRAWARRAYS",None), ("_PYMOL_GL_CALLLISTS",None), ("OPENGL_ES_2",None), ] ext_comp_args=["-ffast-math","-funroll-loops","-O3","-fcommon"] ext_link_args=[ "-L"+EXT+"/lib", "-lpng", "-lGL", "-lglut", "-lGLEW", "-lfreetype" ] #============================================================================ else: # linux or other unix # create shader text try: os.makedirs("generated/include") except OSError: # ignore error if directory already exists pass try: os.makedirs("generated/src") except OSError: # ignore error if directory already exists pass import create_shadertext outputheader = open("generated/include/ShaderText.h",'w') outputfile = open("generated/src/ShaderText.c",'w') create_shadertext.create_shadertext("data/shaders", "shadertext.txt", outputheader, outputfile) outputheader.close() outputfile.close() inc_dirs = [ "ov/src", "layer0", "layer1", "layer2", "layer3", "layer4", "layer5", "/usr/include/freetype2", # VMD plugin support "contrib/uiuc/plugins/include", "contrib/uiuc/plugins/molfile_plugin/src", "modules/cealign/src", "modules/cealign/src/tnt", "generated/include", "generated/src", ] libs = [ "GL", "GLU", "glut", "png", "z", "freetype", "GLEW", # "Xxf86vm" ] pyogl_libs = [ "GL", "GLU", "glut", "GLEW"] lib_dirs = [ "/usr/X11R6/lib64", ] def_macros = [ ("_PYMOL_MODULE",None), ("_PYMOL_INLINE",None), ("_PYMOL_FREETYPE",None), ("_PYMOL_LIBPNG",None), # OpenGL shaders ("_PYMOL_OPENGL_SHADERS",None), # Numeric Python support ("_PYMOL_NUMPY",None), # VMD plugin support ("_PYMOL_VMD_PLUGINS",None), ("_PYMOL_CGO_DRAWARRAYS",None), ("_PYMOL_CGO_DRAWBUFFERS",None), ("_CGO_DRAWARRAYS",None), ("_PYMOL_GL_CALLLISTS",None), ("OPENGL_ES_2",None), ] ext_comp_args = [ "-ffast-math", "-funroll-loops", "-O3", "-g" ] ext_link_args = [] distribution = setup ( # Distribution meta-data name = "pymol", version = "1.5.0.3", # see layer0/Version.h for updated version author = "Schrodinger", url = "http://pymol.org", contact = "pymol-users@lists.sourceforge.net", description = "PyMOL is a Python-enhanced molecular graphics tool. It excels at 3D visualization of proteins, small molecules, density, surfaces, and trajectories. It also includes molecular editing, ray tracing, and movies. Open Source PyMOL is free to everyone!", package_dir = {'' : 'modules'}, packages = [ 'chempy', 'chempy/bmin', 'chempy/champ', 'chempy/fast', 'chempy/fragments', 'chempy/tinker', 'pmg_tk', 'pmg_tk/startup', 'pmg_tk/skins', 'pmg_tk/skins/normal', 'pmg_wx', 'pymol', 'pymol/contrib', 'pymol/opengl', 'pymol/opengl/gl', 'pymol/opengl/glu', 'pymol/opengl/glut', 'pymol/wizard', 'pymol/plugins', 'pymol2', 'web', 'web/examples', 'web/javascript', ], ext_modules = [ Extension("pymol._cmd", [ "modules/cealign/src/ccealignmodule.cpp", "generated/src/ShaderText.c", "ov/src/OVContext.c", "ov/src/OVHeapArray.c", "ov/src/OVHeap.c", "ov/src/OVLexicon.c", "ov/src/OVOneToOne.c", "ov/src/OVOneToAny.c", "ov/src/OVRandom.c", "ov/src/ov_utility.c", "layer0/Block.c", "layer0/Crystal.c", "layer0/Debug.c", "layer0/Deferred.c", "layer0/Err.c", "layer0/Feedback.c", "layer0/Field.c", "layer0/Isosurf.c", "layer0/Map.c", "layer0/Match.c", "layer0/Matrix.c", "layer0/MemoryDebug.c", "layer0/MemoryCache.c", "layer0/MyPNG.c", "layer0/Parse.c", "layer0/Pixmap.c", "layer0/Queue.c", "layer0/Raw.c", "layer0/Sphere.c", "layer0/ShaderMgr.c", "layer0/Tetsurf.c", "layer0/Texture.c", "layer0/Tracker.c", "layer0/Triangle.c", "layer0/Util.c", "layer0/Vector.c", "layer0/Word.c", "layer0/os_gl.c", "layer1/Basis.c", "layer1/ButMode.c", "layer1/Character.c", "layer1/CGO.c", "layer1/Color.c", "layer1/Control.c", "layer1/Extrude.c", "layer1/Font.c", "layer1/FontType.c", "layer1/FontGLUT.c", "layer1/FontGLUT8x13.c", "layer1/FontGLUT9x15.c", "layer1/FontGLUTHel10.c", "layer1/FontGLUTHel12.c", "layer1/FontGLUTHel18.c", "layer1/Movie.c", "layer1/Ortho.c", "layer1/P.c", "layer1/PConv.c", "layer1/Pop.c", "layer1/PyMOLObject.c", "layer1/Ray.c", "layer1/Rep.c", "layer1/Scene.c", "layer1/ScrollBar.c", "layer1/Seq.c", "layer1/Setting.c", "layer1/Shaker.c", "layer1/Symmetry.c", "layer1/Text.c", "layer1/TypeFace.c", "layer1/Wizard.c", "layer1/View.c", "layer2/AtomInfo.c", "layer2/CoordSet.c", "layer2/GadgetSet.c", "layer2/DistSet.c", "layer2/ObjectAlignment.c", "layer2/ObjectCGO.c", "layer2/ObjectCallback.c", "layer2/ObjectDist.c", "layer2/ObjectMap.c", "layer2/ObjectMesh.c", "layer2/ObjectMolecule.c", "layer2/ObjectMolecule2.c", "layer2/ObjectSurface.c", "layer2/ObjectSlice.c", "layer2/ObjectVolume.c", "layer2/RepCartoon.c", "layer2/RepCylBond.c", "layer2/RepDistDash.c", "layer2/RepDistLabel.c", "layer2/RepDot.c", "layer2/RepLabel.c", "layer2/RepMesh.c", "layer2/ObjectGadget.c", "layer2/ObjectGadgetRamp.c", "layer2/ObjectGroup.c", "layer2/RepAngle.c", "layer2/RepDihedral.c", "layer2/RepNonbonded.c", "layer2/RepNonbondedSphere.c", "layer2/RepRibbon.c", "layer2/RepSphere.c", "layer2/RepEllipsoid.c", "layer2/RepSurface.c", "layer2/RepWireBond.c", "layer2/Sculpt.c", "layer2/SculptCache.c", "layer2/VFont.c", "layer3/PlugIOManager.c", "layer3/Editor.c", "layer3/Executive.c", "layer3/Seeker.c", "layer3/Selector.c", "layer4/Cmd.c", "layer4/Export.c", "layer4/Menu.c", "layer4/PopUp.c", "layer5/PyMOL.c", "layer5/TestPyMOL.c", "layer5/main.c", # VMD plugin support # switch the 0 to 1 to activate the additional source code ] + 1 * [ # (incomplete support -- only TRJ, TRR, XTC, DCD so far...) 'contrib/uiuc/plugins/molfile_plugin/src/PlugIOManagerInit.c', 'contrib/uiuc/plugins/molfile_plugin/src/avsplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/basissetplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/bgfplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/binposplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/biomoccaplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/brixplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/carplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/ccp4plugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/corplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/cpmdlogplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/cpmdplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/crdplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/cubeplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/dcdplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/dlpolyplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/dsn6plugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/dtrplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/dxplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/edmplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/fs4plugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/gamessplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/gaussianplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/graspplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/grdplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/gridplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/gromacsplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/hash.c', 'contrib/uiuc/plugins/molfile_plugin/src/jsplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/maeffplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/mapplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/mdfplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/mmcif.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/mol2plugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/moldenplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/mrcplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/msmsplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/namdbinplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/parm7plugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/parmplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/pbeqplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/pdbplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/phiplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/pltplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/pqrplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/psfplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/raster3dplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/rst7plugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/situsplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/spiderplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/stlplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/tinkerplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/uhbdplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/vaspchgcarplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/vaspoutcarplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/vaspparchgplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/vaspposcarplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/vaspxdatcarplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/vaspxmlplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/vtfplugin.c', 'contrib/uiuc/plugins/molfile_plugin/src/xbgfplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/xsfplugin.cpp', 'contrib/uiuc/plugins/molfile_plugin/src/xyzplugin.c' ], include_dirs = inc_dirs, libraries = libs, library_dirs = lib_dirs, define_macros = def_macros, extra_link_args = ext_link_args, extra_compile_args = ext_comp_args, ), Extension("chempy.champ._champ", [ "contrib/champ/champ.c", "contrib/champ/champ_module.c", "contrib/champ/chiral.c", "contrib/champ/err2.c", "contrib/champ/feedback2.c", "contrib/champ/list.c", "contrib/champ/os_memory.c", "contrib/champ/sort.c", "contrib/champ/strblock.c", "contrib/champ/vla.c", ], include_dirs=["contrib/champ"] ), Extension("pymol.opengl.glu._glu_num", ["contrib/pyopengl/_glu_nummodule.c"], include_dirs = inc_dirs, libraries = pyogl_libs, library_dirs = lib_dirs, define_macros = def_macros, extra_link_args = ext_link_args, extra_compile_args = ext_comp_args, ), Extension("pymol.opengl.glu._glu", ["contrib/pyopengl/_glumodule.c"], include_dirs = inc_dirs, libraries = pyogl_libs, library_dirs = lib_dirs, define_macros = def_macros, extra_link_args = ext_link_args, extra_compile_args = ext_comp_args, ), Extension("pymol.opengl.glut._glut", ["contrib/pyopengl/_glutmodule.c"], include_dirs = inc_dirs, libraries = pyogl_libs, library_dirs = lib_dirs, define_macros = def_macros, extra_link_args = ext_link_args, extra_compile_args = ext_comp_args, ), Extension("pymol.opengl.gl._opengl_num", ["contrib/pyopengl/_opengl_nummodule.c"], include_dirs = inc_dirs, libraries = pyogl_libs, library_dirs = lib_dirs, define_macros = def_macros, extra_link_args = ext_link_args, extra_compile_args = ext_comp_args, ), Extension("pymol.opengl.gl._opengl", ["contrib/pyopengl/_openglmodule.c"], include_dirs = inc_dirs, libraries = pyogl_libs, library_dirs = lib_dirs, define_macros = def_macros, extra_link_args = ext_link_args, extra_compile_args = ext_comp_args, ), Extension("pymol.opengl.gl.openglutil", ["contrib/pyopengl/openglutil.c"], include_dirs = inc_dirs, libraries = pyogl_libs, library_dirs = lib_dirs, define_macros = def_macros, extra_link_args = ext_link_args, extra_compile_args = ext_comp_args, ), Extension("pymol.opengl.gl.openglutil_num", ["contrib/pyopengl/openglutil_num.c"], include_dirs = inc_dirs, libraries = pyogl_libs, library_dirs = lib_dirs, define_macros = def_macros, extra_link_args = ext_link_args, extra_compile_args = ext_comp_args, ) ]) # make available for setup2.py try: site_packages = distribution.command_obj['install'].install_libbase except KeyError: print """ Error: Please run, 'setup.py install' not 'setup build' or other variant. """ sys.exit(2) f = open('setup3.py', 'w') print >> f, 'site_packages =', repr(site_packages) f.close() print ''' After running: python setup.py install Please run, to complete the installation: python setup2.py install To uninstall PyMOL, run: python setup2.py uninstall '''