Merge remote-tracking branch 'origin/main' into dev

Author: purduercac-docs-bot

modulefiles/gautschi/cpu/Core/gaussian16/B.01.lua

@@ -0,0 +1,20 @@
+whatis("invoke Gaussian 16, Revision B.01")
+
+load("gaussview/6.0.16")
+
+-- for Tcl script use only
+local app = "g16"
+local version = "B.01"
+local basedir = "/apps/external/gaussian/"..app.."-"..version
+local g16root = basedir.."/g16-haswell"
+local modroot = g16root.."/"..app
+
+
+prepend_path("PATH",modroot)
+prepend_path("PATH",modroot.."/bsd")
+prepend_path("PATH",modroot.."/rcac")
+
+setenv("g16root",g16root)
+setenv("GAUSS_EXEDIR",modroot)
+setenv("GAUSS_LEXEDIR",modroot.."/linda-exe")
+setenv("GV_DIR", basedir.."/gv")

modulefiles/gautschi/cpu/Core/gaussview/6.0.16

@@ -0,0 +1,23 @@
+whatis("invoke GaussView 6.0.16")
+
+-- for Tcl script use only
+local version = "6.0.16"
+local app = "gaussview"
+local contact = "rcac-help"
+local license_type = "proprietary"
+local basedir = "/apps/external/gaussian/g16-B.01"
+local g16root = basedir.."/g16-haswell"
+local modroot = g16root.."/g16"
+local gvroot = basedir.."/gv"
+
+prepend_path("PATH",modroot)
+prepend_path("PATH",modroot.."/rcac")
+prepend_path("PATH",gvroot)
+prepend_path("PATH",gvroot.."/exec")
+
+setenv("g16root",g16root)
+setenv("GAUSS_EXEDIR",modroot)
+setenv("GAUSS_LEXEDIR",modroot.."/linda-exe")
+setenv("GV_DIR",gvroot)
+-- This is needed due to conflict with cuda libraries
+setenv("USE_MESAGL",1)

modulefiles/scholar/cpu/Core/modtree/loader.lua

@@ -7,7 +7,7 @@ if arch == "x86_64" then
     setenv('RCAC_SPACK_MODROOT', '/opt/spack/modulefiles')
     setenv('MODULEPATH','/opt/spack/modulefiles/Core')
     -- load modtree/all
-    load("modtree/all")
+    load("modtree/all") -- rcac module aliases to this from rc file
 elseif arch == "aarch64" then
    -- load aarch64 modtree
     setenv('RCAC_SPACK_MODROOT', '/opt/scholar-dgx-modulefiles/dgx')

modulefiles/scholar/cpu/Core/modtree/spark.lua

@@ -22,6 +22,6 @@ if (mode() == "load") then
    end
 end
 
-load("gcc/12.5.0")
+load("gcc/14.2.0")
 load("openmpi/5.0.5")
 load("cuda/13.1")