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CI #544

Workflow file for this run

name: CI
on:
push:
branches: [ master ]
pull_request:
branches: [ master ]
schedule:
# Run every Sunday at midnight
- cron: '0 0 * * 0'
defaults:
run:
shell: bash -l {0}
jobs:
build:
name: ${{ matrix.name }}
runs-on: ubuntu-22.04
strategy:
fail-fast: false
matrix:
include:
# Oldest supported versions
- name: Linux (CUDA 10.2, Python 3.8, PyTorch 1.11)
enable_cuda: true
cuda: "10.2.89"
gcc: "8.5.*"
nvcc: "10.2"
python: "3.8.*"
torchani: "2.2.*"
pytorch: "1.11.*"
# Older supported versions
- name: Linux (CUDA 11.2, Python 3.9, PyTorch 1.12)
enable_cuda: true
cuda: "11.2.2"
gcc: "10.3.*"
nvcc: "11.2"
python: "3.9.*"
torchani: "2.2.*"
pytorch: "1.12.*"
# Latest supported versions (with CUDA)
- name: Linux (CUDA 11.8, Python 3.10, PyTorch 2.0)
enable_cuda: true
cuda: "11.8.0"
gcc: "10.3.*"
nvcc: "11.8"
python: "3.10.*"
torchani: "2.2.*"
pytorch: "2.0.*"
# Latest supported versions (without CUDA)
- name: Linux (no CUDA, Python 3.10, PyTorch 2.0)
enable_cuda: false
gcc: "10.3.*"
python: "3.10.*"
pytorch: "2.0.*"
torchani: "2.2.*"
steps:
- name: Check out
uses: actions/checkout@v2
- name: Install CUDA Toolkit
uses: Jimver/[email protected]
with:
cuda: ${{ matrix.cuda }}
linux-local-args: '["--toolkit", "--override"]'
if: ${{ matrix.enable_cuda }}
- name: Install Miniconda
uses: conda-incubator/setup-miniconda@v2
with:
activate-environment: ""
auto-activate-base: true
miniforge-variant: Mambaforge
- name: Prepare dependencies (with CUDA)
if: ${{ matrix.enable_cuda }}
run: |
sed -i -e "/cudatoolkit/c\ - cudatoolkit ${{ matrix.cuda }}" \
-e "/gxx_linux-64/c\ - gxx_linux-64 ${{ matrix.gcc }}" \
-e "/torchani/c\ - torchani ${{ matrix.torchani }}" \
-e "/nvcc_linux-64/c\ - nvcc_linux-64 ${{ matrix.nvcc }}" \
-e "/python/c\ - python ${{ matrix.python }}" \
-e "/pytorch-gpu/c\ - pytorch-gpu ${{ matrix.pytorch }}" \
environment.yml
- name: Prepare dependencies (without CUDA)
if: ${{ !matrix.enable_cuda }}
run: |
sed -i -e "/cudatoolkit/c\ # - cudatoolkit" \
-e "/gxx_linux-64/c\ - gxx_linux-64 ${{ matrix.gcc }}" \
-e "/torchani/c\ - torchani ${{ matrix.torchani }}" \
-e "/nvcc_linux-64/c\ # - nvcc_linux-64" \
-e "/python/c\ - python ${{ matrix.python }}" \
-e "/pytorch-gpu/c\ - pytorch-cpu ${{ matrix.pytorch }}" \
environment.yml
- name: Show dependency file
run: cat environment.yml
- name: Install dependencies
run: mamba env create -n nnpops -f environment.yml
env:
# Needed to install pytorch-gpu on a machine without a GPU
CONDA_OVERRIDE_CUDA: ${{ matrix.nvcc }}
- name: List conda environment
run: |
conda activate nnpops
conda list
- name: Configure, compile, and install
run: |
conda activate nnpops
mkdir build && cd build
cmake .. \
-DENABLE_CUDA=${{ matrix.enable_cuda }} \
-DTorch_DIR=$(python -c 'import torch.utils; print(torch.utils.cmake_prefix_path)')/Torch \
-DCMAKE_INSTALL_PREFIX=$CONDA_PREFIX
make install
- name: Test
run: |
conda activate nnpops
cd build
ctest --verbose --exclude-regex TestCuda