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lines changed Original file line number Diff line number Diff line change 7979 shell : bash
8080 if : runner.os == 'Linux'
8181 run : |
82- CodeEntropyPoseidon -f "CodeEntropy/tests/data/1AKI_prod_60.tpr" "CodeEntropy/tests/data/1AKI_prod_60.trr" -l "protein" -b 2 -e 12 -d 2 -t 2 --wm --res --uatom --topog 5 --solwm --solres --soluatom --solContact
83-
84- publish :
85- name : Publish to pypi if tagged
86- runs-on : ubuntu-latest
87- steps :
88- - uses : actions/checkout@v2
89- - uses : actions/setup-python@v2
90- - uses : casperdcl/deploy-pypi@v2
91- with :
92- password : ${{ secrets.PYPI_API_TOKEN }}
93- pip : wheel -w dist/ --no-deps .
94- # only upload if a tag is pushed (otherwise just build & check)
95- upload : ${{ github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags') }}
82+ CodeEntropyPoseidon -f "CodeEntropy/tests/data/1AKI_prod_60.tpr" "CodeEntropy/tests/data/1AKI_prod_60.trr" -l "protein" -b 2 -e 12 -d 2 -t 2 --wm --res --uatom --topog 5 --solwm --solres --soluatom --solContact
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