@@ -17,42 +17,42 @@ jobs:
1717 strategy :
1818 fail-fast : false
1919 matrix :
20- python-version : ["3.7 "]
20+ python-version : ["3.10 "]
2121 os : [ubuntu-latest]
2222
2323 runs-on : ${{ matrix.os }}
2424
2525 steps :
26- - uses : actions/checkout@v4
27- with :
28- lfs : true
29-
30- - name : Set up Python ${{ matrix.python-version }}
31- uses : actions/setup-python@v5
32- with :
33- python-version : ${{ matrix.python-version }}
34-
35- - name : Set up conda
36- uses : conda-incubator/setup-miniconda@v3
37- with :
38- python-version : ${{ matrix.python-version }}
39- activate-environment : mdproptools-env
40-
41- - name : Install dependencies
42- run : |
43- source /usr/share/miniconda/etc/profile.d/conda.sh
44- conda activate mdproptools-env
45- conda install -c conda-forge openbabel
46- pip install .[dev]
47-
48- - name : Run tests using pytest
49- run : |
50- source /usr/share/miniconda/etc/profile.d/conda.sh
51- conda activate mdproptools-env
52- pytest --durations=10 --cov=mdproptools --cov-report=xml -s
53-
54- - name : Upload coverage reports to Codecov
55- 56- with :
57- token : ${{ secrets.CODECOV_TOKEN }}
58- slug : molmd/mdproptools
26+ - uses : actions/checkout@v4
27+ with :
28+ lfs : true
29+
30+ - name : Set up Python ${{ matrix.python-version }}
31+ uses : actions/setup-python@v5
32+ with :
33+ python-version : ${{ matrix.python-version }}
34+
35+ - name : Set up conda
36+ uses : conda-incubator/setup-miniconda@v3
37+ with :
38+ python-version : ${{ matrix.python-version }}
39+ activate-environment : mdproptools-env
40+
41+ - name : Install dependencies
42+ run : |
43+ source /usr/share/miniconda/etc/profile.d/conda.sh
44+ conda activate mdproptools-env
45+ conda install -c conda-forge openbabel
46+ pip install .[dev]
47+
48+ - name : Run tests using pytest
49+ run : |
50+ source /usr/share/miniconda/etc/profile.d/conda.sh
51+ conda activate mdproptools-env
52+ pytest --durations=10 --cov=mdproptools --cov-report=xml -s
53+
54+ - name : Upload coverage reports to Codecov
55+ 56+ with :
57+ token : ${{ secrets.CODECOV_TOKEN }}
58+ slug : molmd/mdproptools
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