ChimeraX header files not present in CentOS RPM

[Tristan Croll]

Trying to build Clipper against today's daily build (CentOS):

In file included from /opt/UCSF/ChimeraX-daily/lib/python3.7/site-packages/chimerax/atomic/include/atomstruct/Atom.h:37:0,
                 from src/clipper_ext/chimerax_bridge.h:22,
                 from src/clipper_ext/xtal_mgr.h:34,
                 from src/clipper_ext/xtal_mgr.cpp:22:
/opt/UCSF/ChimeraX-daily/lib/python3.7/site-packages/chimerax/atomic/include/atomstruct/string_types.h:20:28: fatal error: chutil/CString.h: No such file or directory
 #include <chutil/CString.h>

CString.h isn't anywhere in the ChimeraX installation directory.

[Tristan Croll]

... actually, turns out that /opt/UCSF/ChimeraX-daily/include is almost 
empty. Contains only imex.i and the python3.7m directory.

On 2020-03-06 15:23, ChimeraX wrote:

[Tristan Croll]

Copying the include directory from my devtoolset-7 ChimeraX build into 
/opt/UCSF/ChimeraX-daily/include gets my bundles building successfully 
again.

On 2020-03-06 15:34, ChimeraX wrote:

[Greg Couch]

The bug is that the header files are missing from the transient ChimeraX_Core wheel. Which is only an issue for the Linux builds use that wheel to have the same binaries on all variants.

[Greg Couch]

Actually, it was not just the header files from the ChimeraX_Core wheel that were missing, but also all of the header files from the prereqs installation. Should be fixed in tonight's build.

[Tristan Croll]

Well, the new build (official 0.92 release) now has a lot more - but not 
everything that was there before. I can work around it (I believe the 
only missing component I need is the OpenMM headers, which I can copy 
in).

{{{
ls /opt/UCSF/ChimeraX/include/
appdirs/          GL/               KHR/              libavfilter/      
libpostproc/      libyasm/          logger/           python3.7m/       
x264_config.h
arrays/           imex.i            libavcodec/       libavformat/      
libswresample/    libyasm.h         ogg/              theora/           
x264.h
chutil/           ioutil/           libavdevice/      libavutil/        
libswscale/       libyasm-stdint.h  pysupport/        vpx/



ls /opt/UCSF/ChimeraX-daily/include/
AmoebaOpenMMCWrapper.h         cursslk.h    imex.i                 
logger            OpenMMDrude.h            tclDecls.h         termcap.h  
    tkFileFilter.h    tkPort.h         zconf.h
AmoebaOpenMMFortranModule.f90  default.h    ioutil                 
lzma.h            OpenMMFortranModule.f90  tcl.h              
term_entry.h  tkFont.h          tkScale.h        zlib.h
appdirs                        eti.h        itcl2TclOO.h           
menu.h            OpenMM.h                 tclOODecls.h       term.h     
    tk.h              tkScrollbar.h
arrays                         etip.h       itclDecls.h            
mysqlStubs.h      panel.h                  tclOO.h            tic.h      
    tkImgPhoto.h      tkSelect.h
chutil                         fakemysql.h  itcl.h                 
nc_tparm.h        pqStubs.h                tclPlatDecls.h     tk3d.h     
    tkIntDecls.h      tkText.h
cursesapp.h                    fakepq.h     itclIntDecls.h         
ncurses_dll.h     pysupport                tclThread.h        tkBusy.h   
    tkInt.h           tkUndo.h
cursesf.h                      fakesql.h    itclInt.h              
ncurses.h         python3.7m               tclTomMathDecls.h  tkButton.h 
    tkIntPlatDecls.h  tkUnixDefault.h
curses.h                       ffi.h        itclMigrate2TclCore.h  
odbcStubs.h       sfmt                     tclTomMath.h       tkCanvas.h 
    tkIntXlibDecls.h  tkUnixInt.h
cursesm.h                      ffitarget.h  itclTclIntStubsFcn.h   
openmm            sqlite3ext.h             tdbcDecls.h        tkColor.h  
    tkMenubutton.h    tkUnixPort.h
cursesp.h                      form.h       ks_names.h             
OpenMMAmoeba.h    sqlite3.h                tdbc.h             tkDecls.h  
    tkMenu.h          unctrl.h
cursesw.h                      histedit.h   lepton                 
OpenMMCWrapper.h  swig                     tdbcInt.h          tkEntry.h  
    tkPlatDecls.h     yaml.h
}}}


On 2020-03-07 08:34, ChimeraX wrote:

[Greg Couch]

Were the OpenMM header there before? It doesn't look like they were ever installed.

[Tristan Croll]

I think so. At least, I don’t believe I ever installed them into the ChimeraX-Daily tree.  But then, I only noticed them there the other day myself... up until then I’d been relying on my own set of headers. Would certainly make things easier if they were provided by ChimeraX, so I can always be certain they match the installed version.
 

 

[Greg Couch]

CString.h is in site-packages/chimerax/core/include/chutil/CString.h