setenv.sh

#!/bin/bash

# Copyright 2025 ByteDance Inc.
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
#     http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
#

# Optionally activate user virtualenv at ~/Documents/venv
if [ -f "$HOME/Documents/venv/bin/activate" ]; then
  # shellcheck disable=SC1091
  . "$HOME/Documents/venv/bin/activate"
fi

# Add the current repository to PYTHONPATH
export PYTHONPATH="${PYTHONPATH}:$(pwd)"

# Also add a local gpu4pyscf checkout if present
if [ -d "$HOME/Documents/gpu4pyscf" ]; then
  export PYTHONPATH="${PYTHONPATH}:$HOME/Documents/gpu4pyscf"
fi