Skip to content

drop conda in the test workflow #313

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
wanghan-iapcm merged 1 commit into from
Jun 19, 2022
Merged

drop conda in the test workflow #313

Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
13 changes: 6 additions & 7 deletions .github/workflows/test.yml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -15,16 +15,15 @@ jobs:
- uses: actions/checkout@v2
# set up conda
- name: Set up Python ${{ matrix.python-version }}
uses: conda-incubator/setup-miniconda@v2
uses: actions/setup-python@v4
with:
auto-activate-base: true
activate-environment: ""
python-version: ${{ matrix.python-version }}
# install rdkit and openbabel
- name: Install rdkit
run: conda create -c conda-forge -n my-rdkit-env python=${{ matrix.python-version }} rdkit openbabel;
run: python -m pip install rdkit openbabel-wheel
- name: Install dependencies
run: source $CONDA/bin/activate my-rdkit-env && pip install .[amber,ase,pymatgen] coverage codecov
run: python -m pip install .[amber,ase,pymatgen] coverage codecov
- name: Test
run: source $CONDA/bin/activate my-rdkit-env && cd tests && coverage run --source=../dpdata -m unittest && cd .. && coverage combine tests/.coverage && coverage report
run: cd tests && coverage run --source=../dpdata -m unittest && cd .. && coverage combine tests/.coverage && coverage report
- name: Run codecov
run: source $CONDA/bin/activate my-rdkit-env && codecov
run: codecov