#%Module1.0##################################################################### ## ## ccp4 modulefile ## Requires manual editing. set ccp4_master "/xtal" set version "7.0" set ccp4 "${ccp4_master}/ccp4-${version}" # a per-user temporary (scratch) directory used by CCP4 programs set ccp4_scr "/tmp/$env(USER)" module-whatis "loads the CCP4 $version" proc ModulesHelp { } { global version puts stderr "\tccp4 - loads the CCP4 software environment" puts stderr "\tSets environment variables for running ccp4i, coot, etc." puts stderr "\tVersion: $version\n" } #### For the Diamond synchrotron #### #if { [uname machine] != "x86_64" } { # puts stderr "**** This version is only for x86_64 ****" # break #} #if { ! [is-loaded global/directories] } { module load global/directories } #if { ! [info exists env(http_proxy)] } { module load global/http_proxy } #if { ! [is-loaded hhsuite] } { module load hhsuite } #if { ! [is-loaded shelx] } { module load shelx } #set ccp4_scr $env(networkTEMP) #setenv __GL_FSAA_MODE 5; # workaround for coot graphics problem (still needed?) #source /dls_sw/apps/Modules/modulefiles/ccp4/logs/write_log.tcl # The environment variables set below are described in ccp4.setup-sh.in. # The same order is kept. setenv CCP4_MASTER ${ccp4_master} setenv CCP4 ${ccp4} setenv CCP4I_TCLTK ${ccp4}/bin setenv BALBES_ROOT ${ccp4_master}/BALBES setenv GFORTRAN_UNBUFFERED_PRECONNECTED 1 setenv CBIN ${ccp4}/bin setenv CLIB ${ccp4}/lib setenv CCP4I_TOP ${ccp4}/share/ccp4i setenv CCP4_OPEN UNKNOWN setenv MMCIFDIC ${ccp4}/lib/ccp4/cif_mmdic.lib setenv CRANK ${ccp4}/share/ccp4i/crank setenv CLIBD_MON ${ccp4}/lib/data/monomers/ setenv CCP4_HELPDIR ${ccp4}/help/ setenv CETC ${ccp4}/etc setenv CEXAM ${ccp4}/examples setenv CHTML ${ccp4}/html setenv CINCL ${ccp4}/include setenv CLIBD ${ccp4}/lib/data prepend-path PATH ${ccp4}/bin prepend-path PATH ${ccp4}/etc # nowadays man path is rather configured in /etc/man_db.conf or /etc/man.conf #prepend-path MANPATH ${ccp4}/share/man: set arpwarp ${ccp4_master}/arp_warp_7.6 if { [ file isdirectory ${arpwarp}/bin/bin-x86_64-Linux ] } { prepend-path PATH ${arpwarp}/bin/bin-x86_64-Linux setenv warpbin ${arpwarp}/bin/bin-x86_64-Linux setenv warpdoc ${arpwarp}/manual } setenv CCP4_SCR ${ccp4_scr} if { ! [ file exists $ccp4_scr ] } { file mkdir $ccp4_scr }