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Feature/categorical molecular2 #586

Feature/categorical molecular2

Feature/categorical molecular2 #586

Workflow file for this run

name: Tests
on:
push:
branches:
- main
pull_request:
branches:
- main
jobs:
testing_minimal:
runs-on: ubuntu-latest
strategy:
matrix:
python-version: ['3.9', '3.10', '3.11' ]
steps:
- uses: actions/checkout@v2
- uses: actions/setup-python@v2
with:
python-version: ${{ matrix.python-version }}
- name: Minimal Bofire, Python ${{ matrix.python-version }}
run: pip install "." pytest
- name: Run domain-only test, Python ${{ matrix.python-version }}
run: |
pytest tests/bofire/data_models/test_domain.py \
tests/bofire/data_models/test_base.py \
tests/bofire/data_models/test_constraint_fulfillment.py \
tests/bofire/data_models/test_constraints.py \
tests/bofire/data_models/test_domain_validators.py \
tests/bofire/data_models/test_features.py \
tests/bofire/data_models/test_filters.py \
tests/bofire/data_models/test_nchoosek_combinatorics.py \
tests/bofire/data_models/test_numeric.py \
tests/bofire/data_models/test_unions.py \
tests/bofire/data_models/test_util.py
testing:
runs-on: ubuntu-latest
strategy:
matrix:
python-version: [ '3.9', '3.11' ]
steps:
- uses: actions/checkout@v3
- uses: conda-incubator/setup-miniconda@v2
with:
miniconda-version: "latest"
activate-environment: test
python-version: ${{ matrix.python-version }}
- name: Install Dependencies, Python ${{ matrix.python-version }}
shell: bash -l {0}
run: |
conda install -c conda-forge cyipopt
pip install ".[optimization,tests,cheminfo,xgb]"
- name: Run tests, Python ${{ matrix.python-version }}
shell: bash -l {0}
run: pytest -ra --cov=bofire --cov-report term-missing tests
- name: Run pip freeze, Python ${{ matrix.python-version }}
shell: bash -l {0}
run: pip freeze
testing_against_latest_botorch:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v3
- uses: conda-incubator/setup-miniconda@v2
with:
miniconda-version: "latest"
activate-environment: test
python-version: '3.10'
- name: Install Dependencies
shell: bash -l {0}
run: |
conda install -c conda-forge cyipopt
pip install --upgrade git+https://github.com/cornellius-gp/linear_operator.git
pip install --upgrade git+https://github.com/cornellius-gp/gpytorch.git
export ALLOW_LATEST_GPYTORCH_LINOP=true
pip install --upgrade git+https://github.com/pytorch/botorch.git
pip install ".[optimization,tests,cheminfo,xgb]"
- name: Run tests, Python ${{ matrix.python-version }}
shell: bash -l {0}
run: pytest -ra --cov=bofire --cov-report term-missing tests
- name: Run pip freeze, Python ${{ matrix.python-version }}
shell: bash -l {0}
run: pip freeze
testing_tutorials:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v3
- uses: conda-incubator/setup-miniconda@v2
with:
miniconda-version: "latest"
activate-environment: test
python-version: '3.10'
- name: Install Dependencies
shell: bash -l {0}
run: |
conda install -c conda-forge cyipopt
pip install ".[optimization,tests,cheminfo,xgb]"
- name: Run notebooks
shell: bash -l {0}
run: python scripts/run_tutorials.py -p "$(pwd)"