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apps.bash
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apps.bash
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msg_install --message "Installing the applications..."
# Make all default modules
build_set --default-setting $IS_MODULE
build_set --default-setting $CRT_DEF_MODULE
source_pack applications/blender.bash
source_pack applications/mopac.bash
source_pack applications/tinker.bash
source_pack applications/radiance.bash
source_pack applications/openfoam.bash
source_pack applications/dftd4.bash
# Analysis tools
source_pack applications/bedtools.bash
source_pack applications/bader.bash
source_pack applications/plumed.bash
# Pseudo potential generation
source_pack applications/atom.bash
source_pack applications/ape.bash
source_pack applications/oncvpsp.bash
source_pack applications/lammps.bash
# Graphics applications
source_pack applications/gnuplot.bash
source_pack applications/molden.bash
source_pack applications/xmgrace.bash
#source_pack applications/gracegtk.bash
source_pack applications/xcrysden.bash
source_pack applications/vesta.bash
source_pack applications/vmd.bash
# VTK is used through Python
# Installed by source to get python support
source_pack applications/vmd-python.bash
source_pack applications/gdis.bash
source_pack applications/povray.bash
source_pack applications/getfem.bash
source_pack applications/siesta.bash
source_pack applications/siesta-master.bash # GitLab siesta
source_pack applications/siesta-master-debug.bash
source_pack applications/siesta-bulk-bias.bash # siesta trunk development
source_pack applications/fhiaims.bash
source_pack applications/octave.bash
# Specfial photonics applications
source_pack applications/mpb.bash # [gmp,libunistring,guile]
source_pack applications/meep.bash # [gmp,libunistring,guile]
# Create a module with default all plotting tools
tmp=
for i in gnuplot molden grace xcrysden vmd povray gdis
do
if [[ $(pack_installed $i) -eq $_I_INSTALLED ]]; then
tmp="$tmp $i"
fi
done
create_module \
--module-path $(build_get --module-path)-apps \
-n "Script for loading different graphical tools: $(get_c)" \
-v 1.0 \
-M graphics \
-P "/directory/should/not/exist" \
$(list --prefix '-RL ' $tmp)
# DFT codes
source_pack applications/gromacs.bash
source_pack applications/dftb.bash
source_pack applications/dftb_slako.bash
source_pack applications/wannier.bash
source_pack applications/gulp.bash
source_pack applications/dftd3.bash
source_pack applications/espresso.bash
source_pack applications/elk.bash
source_pack applications/openmx.bash
source_pack applications/bigdft.bash
source_pack applications/abinit.bash
# Needs to be installed AFTER wannier90 :)
source applications/vasp/vasp.bash
source_pack applications/vasp-potcar.bash
source_pack applications/bgw.bash
source_pack applications/cp2k.bash
# Requires bgw
source_pack applications/octopus.bash
source_pack applications/atk.bash
# analysis tools
source_pack applications/otf2.bash
source_pack applications/opari2.bash
source_pack applications/papi.bash
source_pack applications/bsc-perf-tools.bash
source_pack applications/valgrind.bash
source_pack applications/scorep.bash
source_pack applications/tau.bash
source_pack applications/scalasca.bash
build_set --remove-default-setting module