conda_env_installer.bash

#!/bin/bash

# Copyright (c) 2025, Amogh S. Joshi

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# FILENAME:  conda_env_installer

# load module cmd to prevent weird bug experienced by few folks
source /etc/profile.d/modules.sh

# necessary loading. DO NOT MODIFY
source config_slurm.bash

# system constants. DO NOT MODIFY
USER=$(whoami)
FLAG=false

# usage help message
usage() {
	echo "usage: $0 [-h] [-r] [-f YML_FILENAME] [-p YML_PATH] [-n ENV_NAME] [-P RQMT_TXT_FILE]" 1>&2;
	echo "-h: Display help message"
    echo "-r: Re-install env from default yml loaction"
	echo "-f YML_FILENAME: Name of env yml file. Defaults to 'environment.yml'"
    echo "-p YML_PATH: Path to yml file. Defaults to '${HOME}/rcac-utils'"
    echo "-n ENV_NAME: Name of env to be created. Defaults to 'environment'"
    echo "-P RQMT_TXT_FILENAME: File with absolute path to requirements.txt file"
	exit 1;
}

# arg init
YML_FILENAME=environment.yml
YML_PATH=$HOME/rcac-utils
ENV_NAME=environment
REINSTALL=""
PIP_FILE=""

# read args
while getopts "hf:p:n:rP:" opts; do
	case "${opts}" in
		h)	usage;;
		f)	YML_FILENAME=$OPTARG;;
        p)  YML_PATH=$OPTARG;;
        n)  ENV_NAME=$OPTARG;;
        r)  REINSTALL="true";;
        P)  PIP_FILE=$OPTARG;;
		*)	usage;;
	esac
done

# idiot-proofing
if [[ ! ".yml" == *"$YML_FILENAME"* ]]; then
    YML_FILENAME="$YML_FILENAME.yml"
fi

HOST=$(echo $(hostname) | cut -d '.' -f 1)
UNSUPPORTED_HOSTS=("i000" "i001" "i002")
if [[ " ${UNSUPPORTED_HOSTS[@]} " =~ " $HOST " ]]; then
	echo -e "[${red}FATAL${nc}] Conda envs can not be installed from within compute nodes as this causes SSL2 errors. Please install envs only from a login node"
	exit 1
fi

# set YML_PATH to default if reinstalling
if [ $REINSTALL ]; then
    YML_PATH=$HOME/ymls
fi

# navigate to home dir
cd $HOME

if [ -d "anaconda3" ]; then
    read -p " $( echo -e "[${yellow}WARNING${nc}] Anaconda installation found! This conflicts with Lmod module conda and causes job failures. Should it be deleted? (y/n) ")" confirm && [[ $confirm == [yY] || $confirm == [yY][eE][sS] ]] || FLAG=true
    if $FLAG; then
        exit 1
    fi
    # remove custom anaconda dir
    rm -rf $HOME/anaconda3/
    # remove old conda installation scripts (if any)
    rm -f $HOME/Anaconda*.bash
fi

# DO NOT LOAD THE LMOD conda HERE, as it overwrites the conda settings specified in .condarc

# import lmod cuda module to ensure the correct version of pytorch gets installed
module load cuda
# import lmod pip module
module load pip

# ensure conda install dir is in scratch
if [ ! -d "/scratch/${CLUSTER}/${USER}/.conda" ]; then
    echo -ne "[${yellow}WARNING${nc}] Default conda install dir not in scratch! Creating..."
    mkdir /scratch/${CLUSTER}/${USER}/.conda
    mkdir /scratch/${CLUSTER}/${USER}/.conda/pkgs
    mkdir /scratch/${CLUSTER}/${USER}/.conda/envs
    echo -e "[${green}DONE${nc}]"
fi

# set default paths if new conda location exists but isn't pointed to
if ! grep -q "/scratch/${CLUSTER}/${USER}/.conda/pkgs" "$HOME/.condarc"; then
    conda config --add pkgs_dirs /scratch/${CLUSTER}/${USER}/.conda/pkgs
    conda config --add envs_dirs /scratch/${CLUSTER}/${USER}/.conda/envs
fi

export CONDARC="/home/${USER}/.condarc"
export CONDA_ENVS_DIRS="/scratch/gautschi/joshi157/.conda/envs"
export CONDA_PKGS_DIRS="/scratch/gautschi/joshi157/.conda/pkgs"

# create env
echo -e "[${yellow}INFO${nc}] Installing env..."
conda env create -n $ENV_NAME --file ${YML_PATH}/${YML_FILENAME}
echo -e "[${green}DONE${nc}]"

if [[ -f $PIP_FILE ]]; then
    conda activate $ENV_NAME
    echo -e "[${yellow}INFO${nc}] Installing pip dependencies..."
    pip install $PIP_FILE
    echo -e "[${green}DONE${nc}]"
    conda deactivate
elif [[ ! $PIP_FILE ]]; then
    echo -e "[${green}INFO${nc}] pip dependency file not specified. Skipping pip installation step."
else
    echo -e "[${red}FATAL${nc}] Specified pip dependency file not found"
    exit 1
fi