Update AMBER_Installation.yml #11
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name: AmberTools Installation and Run | |
on: [push, pull_request] | |
jobs: | |
build: | |
runs-on: ubuntu-latest | |
steps: | |
- name: Checkout code | |
uses: actions/checkout@v2 | |
- name: Setup Miniconda | |
uses: conda-incubator/setup-miniconda@v2 | |
with: | |
auto-update-conda: true | |
python-version: 3.8 | |
- name: Create conda environment | |
run: | | |
conda create --name AmberTools23 | |
shell: bash -l {0} | |
- name: Install AmberTools | |
run: | | |
conda activate AmberTools23 | |
conda install -c conda-forge ambertools=23 | |
shell: bash -l {0} | |
- name: Run AmberTools | |
run: | | |
conda activate AmberTools23 | |
# Add commands to run AmberTools here | |
shell: bash -l {0} |