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44 changes: 42 additions & 2 deletions .github/workflows/ci.yml
Original file line number Diff line number Diff line change
Expand Up @@ -15,9 +15,9 @@ defaults:
shell: bash -l {0}

jobs:
tests:
intro-tutorial:
runs-on: ubuntu-latest
name: "Test answer key"
name: "Intro tutorial"
strategy:
matrix:
CONDA_PY:
Expand All @@ -34,6 +34,7 @@ jobs:
python-version: ${{ matrix.CONDA_PY }}
environment-file: binder/environment.yml
activate-environment: ops-tutorial
miniforge-variant: Mambaforge
- name: "Install testing tools"
run: python -m pip install pytest nbval
- name: "Conda info"
Expand All @@ -51,3 +52,42 @@ jobs:
2_tps_analysis_tutorial.ipynb \
3_committor_analysis_tutorial.ipynb \
4_mstis_sampling_tutorial.ipynb

advanced-tutorial:
runs-on: ubuntu-latest
name: "Advanced tutorial"
strategy:
matrix:
CONDA_PY:
- 3.7
- 3.8
- 3.9

steps:
- uses: actions/checkout@v2
- uses: actions/setup-python@v2
- uses: conda-incubator/setup-miniconda@v2
with:
auto-update-conda: true
python-version: ${{ matrix.CONDA_PY }}
environment-file: binder/environment.yml
activate-environment: ops-tutorial
miniforge-variant: Mambaforge
- name: "Install testing tools"
run: python -m pip install pytest nbval
- name: "Conda info"
run: |
conda info
conda list
- name: "Patch answers"
run: source devtools/patch-all
- name: "Run tests"
run: |
pytest --nbval-lax 5_custom_shooting_setup.ipynb
source devtools/run5.sh
pytest --nbval-lax \
6_custom_shooting_analysis.ipynb \
7_parallel_tis_setup.ipynb
source devtools/run7.sh
pytest --nbval-lax 8_parallel_tis_analysis.ipynb

6 changes: 4 additions & 2 deletions 1_tps_sampling_tutorial.ipynb
Original file line number Diff line number Diff line change
Expand Up @@ -326,7 +326,9 @@
"source": [
"## Running the simulation\n",
"\n",
"Now all the parts are in place, and we can run the simulation! First, we open a file to store the results in, and then we build the simulation and run it."
"Now all the parts are in place, and we can run the simulation! First, we open a file to store everything in, and then we build the simulation and run it.\n",
"\n",
"In practice, for a long-running simulation you might save all the relevant information to a \"setup\" file, and then use the OPS Command Line Interface (CLI) to run it (perhaps on a remote computer). The advantage of that approach is that you can re-use the same exact objects, guaranteeing that they will behave the same way and making analysis easier. That approach is described in notebook 5 of this tutorial. In this notebook, we'll directly run the simulation."
]
},
{
Expand Down Expand Up @@ -398,7 +400,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.7.3"
"version": "3.7.10"
},
"toc": {
"base_numbering": 1,
Expand Down
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