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feat: atom_ener in energy fitting #1431

feat: atom_ener in energy fitting

feat: atom_ener in energy fitting #1431

Workflow file for this run

name: "CodeQL"
on:
push:
branches-ignore:
- "gh-readonly-queue/**"
pull_request:
schedule:
- cron: '45 2 * * 2'
concurrency:
group: ${{ github.workflow }}-${{ github.ref || github.run_id }}
cancel-in-progress: true
jobs:
analyze:
name: Analyze
runs-on: ${{ (matrix.language == 'swift' && 'macos-latest') || 'ubuntu-latest' }}
timeout-minutes: ${{ (matrix.language == 'swift' && 120) || 360 }}
permissions:
actions: read
contents: read
security-events: write
strategy:
fail-fast: false
matrix:
language: [ 'c-cpp', 'javascript-typescript', 'python' ]
steps:
- name: Checkout repository
uses: actions/checkout@v4
- uses: actions/setup-python@v5
with:
python-version: '3.11'
cache: 'pip'
if: matrix.language == 'c-cpp'
- name: "Setup dependencies"
if: matrix.language == 'c-cpp'
run: |
wget https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/x86_64/cuda-keyring_1.0-1_all.deb \
&& sudo dpkg -i cuda-keyring_1.0-1_all.deb \
&& sudo apt-get update \
&& sudo apt-get -y install cuda-cudart-dev-12-2 cuda-nvcc-12-2
python -m pip install tensorflow
wget https://download.pytorch.org/libtorch/cpu/libtorch-cxx11-abi-shared-with-deps-2.1.2%2Bcpu.zip -O libtorch.zip
unzip libtorch.zip
env:
DEBIAN_FRONTEND: noninteractive
# Initializes the CodeQL tools for scanning.
- name: Initialize CodeQL
uses: github/codeql-action/init@v3
with:
languages: ${{ matrix.language }}
queries: security-extended,security-and-quality
- name: "Run, Build Application using script"
run: |
export CMAKE_PREFIX_PATH=$GITHUB_WORKSPACE/libtorch
source/install/build_cc.sh
env:
DP_VARIANT: cuda
DOWNLOAD_TENSORFLOW: "FALSE"
if: matrix.language == 'c-cpp'
- name: Perform CodeQL Analysis
uses: github/codeql-action/analyze@v3
with:
category: "/language:${{matrix.language}}"