.bash_profile_ohtaka

# .bash_profile

# Get the aliases and functions
if [ -f ~/.bashrc ]; then
	. ~/.bashrc
fi

# alias
alias e="emacs -nw" # emacs


# User specific environment and startup programs
export iterm2_hostname=ohtaka
test -e ~/.iterm2_shell_integration.bash && source ~/.iterm2_shell_integration.bash || true


alias ee='TERM="xterm-24bit" emacsclient -t'

# ALAMODE install
export SPGLIB_ROOT=${HOME}/src/spglib/bin
export LD_LIBRARY_PATH=$SPGLIB_ROOT/lib64:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH=${HOME}/src/eigen-3.4.0/Eigen:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH=${HOME}/src/eigen-3.4.0:$LD_LIBRARY_PATH


# ALAMODE
export PATH=$PATH:${HOME}/src/alamode_1_2_0/_build/alm/
export PATH=$PATH:${HOME}/src/alamode_1_2_0/_build/anphon/
export PATH=$PATH:${HOME}/src/alamode_1_2_0/tools/
export PYTHONPATH=$PYTHONPATH:${HOME}/src/alamode_1_2_0/tools/


# my code
export PYTHONPATH=$PYTHONPATH:${HOME}/works/codes/tools
export PYTHONPATH=$PYTHONPATH:${HOME}/works/jsr_utokyo/tools
export PATH=$PATH:${HOME}/works/codes/tools
export PATH=$PATH:${HOME}/works/jsr_utokyo/tools

# ESPRESSO_PSEUDO
export ESPRESSO_PSEUDO=${HOME}/src/pseudo

# Go
 export PATH=$PATH:${HOME}/src/go/bin

# ccat
export PATH=$PATH:${HOME}/src/ccat-1.1.0

# grc
export PATH=$PATH:${HOME}/src/grc

GRC_ALIASES=true
[[ -s "${HOME}/src/grc/grc.sh" ]] && source ${HOME}/src/grc/grc.sh


# anaconda3 for conda init
. ${HOME}/anaconda3/etc/profile.d/conda.sh


# cif2cell
export PYTHONPATH=${HOME}/src/cif2cell-1.2.10/PyCifRW-3.3/opt/PyCifRW-3.3/lib64/python2.7/site-packages:$PYTHONPATH


# wannier90
alias wannier90.x=/home/k0151/k015124/src/qe-7.0/external/wannier90/wannier90.x




# デフォルト設定(別になくても良い)
#LS_COLORS="デフォルトの色設定(ご自由に)"
#export LS_COLORS

#read dircolors
#dircolors-solarizedを使うため，対応するファイルを読み込む．

#対応するファイルの場所
# 2021/10/30 mv dotfiles to works/codes
# 2021/12/03 mv dotfiles to works/dotfiles
dircolorsPATH=${HOME}/works/dotfiles/iterm2/dircolors.ansi-modify-dark
#dircolorsPATH=~/dotfiles/iterm2setting/dircolors-solarized/dircolors.ansi-modify-dark
#dircolorsPATH=~/dotfiles/iterm2setting/dircolors-solarized/dircolors.256dark
#以下で読み込み
if [ -f  ${dircolorsPATH} ];then
    if type dircolors >/dev/null 2>&1;then
	eval $(dircolors ${dircolorsPATH} )
    elif type gdircolors >/dev/null 2>&1;then
	eval $(gdircolors ${dircolorsPATH} )
    fi
else
    echo error DO NOT exist ${dircolorsPATH}
fi





 export PYTHONPATH=/home/k0151/k015124/works/codes:$PYTHONPATH
 export PATH=/home/k0151/k015124/works/jsr_utokyo/tools:$PATH


 # gromacs
 export PATH=$PATH:/home/k0151/k015124/src/gromacs-2022.4/build/bin
 export PATH=$PATH:/home/k0151/k015124/src/gromacs-2022.4/build_nompi/bin

# psi4
# https://psicode.org/psi4manual/1.5.0/external.html
export PSI_SCRATCH=/work/k0151/k015124/psi4_scratch
eval "$(/home/k0151/k015124/.linuxbrew/bin/brew shellenv)"


# mpif90を含むのでcompile時に競合する可能性あり
# export PATH=$PATH:/home/k0151/k015124/anaconda3/bin

# export HOMEBREW_HOME=/home/k0151/k015124/.linuxbrew:${HOMEBREW_HOME}


# less
export LESS="-R"
export LESSOPEN="| ${HOMEBREW_HOME}/bin/src-hilite-lesspipe.sh  %s"

# cat
if [[ -x `which ccat` ]]; then
  alias cat='ccat'
fi

# libnettle
export LD_LIBRARY_PATH=${HOME}/local/nettle/lib64:$LD_LIBRARY_PATH
export PKG_CONFIG_PATH=${HOME}/local/nettle/lib64:$PKG_CONFIG_PATH

# diff
if [[ -x `which colordiff` ]]; then
    alias diff='colordiff -u'
fi
eval "$(/home/k0151/k015124/.linuxbrew/bin/brew shellenv)"


# 2022/09/23:icons-in-terminal
source ${HOME}/works/dotfiles/src/icons-in-terminal/build/icons_bash.sh

module load intel_compiler
module load intel_mkl
module load intel_mpi


echo
echo " your data is at /vol0006/mdt1/data/hp220331/"
echo