Commit c91bdc77 authored by Christof Schulze's avatar Christof Schulze 😎 Committed by cschulze
Browse files

[+] ASAP3 new version 3.10.2. unfortunately it requires MPI

[*] ASAP3 module finished - 3.10.2 - for python3 (python3-ase) 

parent 9965ecfb
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+6 −4
Original line number Diff line number Diff line
#%Module
#
# Asap3  3.8.4
# Asap3  3.10.2
#

set     version      3.8.4
set     version      3.10.2

proc ModulesHelp { } {
        global version
@@ -18,9 +18,11 @@ proc ModulesHelp { } {

module-whatis   "sets up the environment for ASAP3 with GCC 4.9 for Python 2.7"

set          pkghome	/opt/apps/libs/py3-asap-3.8.4
set          pkghome	/opt/apps/libs/py3-asap-$version-mpi

conflict        asap3
prereq          mpi/openmpi-x86_64
conflict        python2
conflict	python3

setenv  ASAP3_BASE       $pkghome
setenv  ASAP3_LIBDIR     $pkghome
+36 −0
Original line number Diff line number Diff line
#%Module
#
# Asap3  3.10.2
#

set     version      3.10.2

proc ModulesHelp { } {
        global version
        puts stderr "\tSets up the environment for ASAP3 with GCC 6.2.1 for Python 3.5\n"
        puts stderr "\n\tDescription TODO"
        puts stderr "\t- ASAP3_BASE"
        puts stderr "\t- ASAP3_LIBDIR"
        puts stderr "\t- LD_LIBRARY_PATH"
        puts stderr "\n\tVersion $version\n"
}


module-whatis   "sets up the environment for ASAP3 with GCC 6.2.1 for Python 3.5"

set          pkghome	/opt/apps/libs/py3-asap-$version-mpi

prereq          mpi/openmpi-x86_64
conflict        python2
conflict	python3

setenv  ASAP3_BASE       $pkghome
setenv  ASAP3_LIBDIR     $pkghome

prepend-path    PYTHONPATH       $pkghome
prepend-path    LD_LIBRARY_PATH     $pkghome

unset        pkghome

#set MSG ""
#source $env(MODULESHOME)/modincludes/info_logging.tcl