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Remove dead dependencies in source_cell #1924

Remove dead dependencies in source_cell

Remove dead dependencies in source_cell #1924

Workflow file for this run

name: Atomic Simulation Environment (ASE) Plugin Test
on:
pull_request:
defaults:
run:
shell: bash
jobs:
test:
name: abacuslite
runs-on: ubuntu-latest
container:
image: ghcr.io/deepmodeling/abacus-gnu
steps:
- name: Checkout code
uses: actions/checkout@v7
- name: Set up Miniconda
uses: conda-incubator/setup-miniconda@v4
with:
miniconda-version: 'latest'
activate-environment: abacuslite
python-version: '3.10'
- name: Install dependencies
shell: bash -l {0}
run: |
conda install -y pip
pip install numpy scipy matplotlib
- name: Install abacuslite
shell: bash -l {0}
run: |
cd interfaces/ASE_interface
pip install .
- name: Install external tools from toolchain
run: |
sudo apt update && sudo apt install -y xz-utils ninja-build
cd toolchain
./install_abacus_toolchain_new.sh --with-dftd4=install --dry-run -j8
./scripts/stage4/install_stage4.sh
cd ..
- name: Configure & Build ABACUS (GNU)
run: |
git config --global --add safe.directory `pwd`
source toolchain/install/setup
prepend_path CMAKE_PREFIX_PATH ${PEXSI32_ROOT}:${SUPERLU_DIST32_ROOT}:${PARMETIS32_ROOT}:${METIS32_ROOT}:${GKLIB_ROOT}
rm -rf build
cmake -B build -G Ninja
cmake --build build -j2
- name: Install and Soft Link ABACUS
run: |
cmake --install build
if [ -f /usr/local/bin/abacus_2p ]; then
ln -sf /usr/local/bin/abacus_2p /usr/local/bin/abacus
fi
- name: Run unit tests
shell: bash -l {0}
run: |
cd interfaces/ASE_interface/abacuslite
chmod +x xtest.sh
./xtest.sh
- name: Run integration tests
shell: bash -l {0}
run: |
cd interfaces/ASE_interface/tests
chmod +x xtest.sh
./xtest.sh