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attempt switch CI to latest pytorch
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anjohan committed Oct 21, 2024
1 parent d5cb250 commit 32f56df
Showing 1 changed file with 4 additions and 9 deletions.
13 changes: 4 additions & 9 deletions .github/workflows/tests.yml
Original file line number Diff line number Diff line change
Expand Up @@ -9,8 +9,6 @@ jobs:
strategy:
matrix:
python-version: [3.9]
torch-version: [1.11.0]
nequip-branch: ["main"]

steps:
- uses: actions/checkout@v2
Expand All @@ -26,9 +24,9 @@ jobs:
sudo apt update
sudo apt install -y cmake
python -m pip install --upgrade pip
pip install torch==${TORCH} -f https://download.pytorch.org/whl/cpu/torch_stable.html
pip install pytest mkl-include
wget -q https://download.pytorch.org/libtorch/cpu/libtorch-cxx11-abi-shared-with-deps-$TORCH%2Bcpu.zip
pip install torch --index-url https://download.pytorch.org/whl/cpu
pip install pytest
wget -q https://download.pytorch.org/libtorch/cpu/libtorch-cxx11-abi-shared-with-deps-latest%2Bcpu.zip
unzip -q libtorch-cxx11-abi-shared-with-deps-$TORCH+cpu.zip
- name: Install MPI
run: |
Expand All @@ -39,9 +37,6 @@ jobs:
GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
run: |
pip install "https://github.com/mir-group/nequip/archive/main.zip"
# git clone --depth=1 "https://github.com/mir-group/allegro"
# cd allegro
# pip install .
pip install "https://github.com/mir-group/allegro/archive/main.zip"
- name: Fetch and build LAMMPS
run: |
Expand All @@ -53,7 +48,7 @@ jobs:
cd lammps_dir/lammps/
mkdir build/
cd build/
cmake ../cmake -DCMAKE_BUILD_TYPE=Release -DPKG_KOKKOS=ON -DKokkos_ENABLE_OPENMP=ON -DCMAKE_PREFIX_PATH=../../../libtorch -DMKL_INCLUDE_DIR=`python -c "import sysconfig;from pathlib import Path;print(Path(sysconfig.get_paths()[\"include\"]).parent)"`
cmake ../cmake -DCMAKE_BUILD_TYPE=Release -DPKG_KOKKOS=ON -DKokkos_ENABLE_OPENMP=ON -DCMAKE_PREFIX_PATH=../../../libtorch -DMKL_INCLUDE_DIR=/tmp
make -j$(nproc)
echo "LAMMPS in dir"
pwd
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