Added the Schnet interface #22
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name: Python Package using Conda | |
on: [push] | |
jobs: | |
build-linux: | |
runs-on: ubuntu-latest | |
strategy: | |
max-parallel: 5 | |
steps: | |
- uses: actions/checkout@v3 | |
- name: Set up Python 3.10 | |
uses: actions/setup-python@v3 | |
with: | |
python-version: '3.10' | |
- name: Add conda to system path | |
run: | | |
# $CONDA is an environment variable pointing to the root of the miniconda directory | |
echo $CONDA/bin >> $GITHUB_PATH | |
- name: Install dependencies | |
run: | | |
conda create -c conda-forge -n bisamplepsi4ase psi4 ase |