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#%Module3.1.1###################################################################
# module info: http://homepages.nesc.ac.uk/~gcw/NGS/UI.html#modulefiles
#
# AMBER
################################################################################
proc ModulesHelp { } {
global AMBERHOME
puts stderr "The TACC Amber installation only includes the parallel Sander/pmemd modules."
puts stderr "The Amber modulefile defines the following environment variables:"
puts stderr "TACC_AMBER_DIR, TACC_AMBER_DOC, TACC_AMBER_BIN for the location of"
puts stderr "the Amber distribution, documentation, and binaries, respectively.\n"
puts stderr "Also, AMBERHOME is set to the Amber Home Directory (TACC_AMBER_DIR),\n"
puts stderr "and \$AMBERHOME/exe is included in the PATH variable.\n"
puts stderr "Here is an example command for executing the Sander module:"
puts stderr "sander.LES -i tes.in -o tes.out -p tes.prmtop.save -c tes.x -r tes.rst"
puts stderr "\nVersion 9"
}
module-whatis "Name: AMBER"
module-whatis "Version: 9.0"
module-whatis "Version-notes: MKL 9.0, FFTW 3.1; only login has full directories: doc, examples"
module-whatis "Category: Application, Chemistry"
module-whatis "URL: http://amber.scripps.edu/"
module-whatis "Description: Molecular Modeling Package"
#
# Create environment variables.
#
set amber_dir /unknown/apps/amber/amber-9
set amber_doc /unknown/apps/amber/amber-9/doc
set amber_bin /unknown/apps/amber/amber-9/exe
setenv TACC_AMBER_DIR $amber_dir
setenv TACC_AMBER_DOC $amber_doc
setenv TACC_AMBER_BIN $amber_bin
#
# Append path
#
setenv AMBERHOME $amber_dir
append-path PATH $amber_bin
|
