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Diagnose and fix methane charging #593

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Diagnose and fix methane charging

Diagnose and fix methane charging #593

Run time

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Job Run time
pylint_check
20s
install_from_source_conda (3.10)
2m 38s
install_from_source_conda (3.11)
2m 38s
pypi_check
25s
install_from_source_conda (3.12)
2m 40s
CI (macOS-13, py-3.10, rdkit=false, openeye=true, dgl=false), pydantic=1
1s
CI (macOS-13, py-3.10, rdkit=false, openeye=true, dgl=true), pydantic=1
1s
CI (macOS-13, py-3.10, rdkit=true, openeye=false, dgl=false), pydantic=1
1s
CI (macOS-13, py-3.10, rdkit=true, openeye=false, dgl=true), pydantic=1
1s
CI (macOS-13, py-3.10, rdkit=true, openeye=true, dgl=false), pydantic=1
1s
CI (macOS-13, py-3.10, rdkit=true, openeye=true, dgl=true), pydantic=1
1s
CI (macOS-13, py-3.10, rdkit=false, openeye=true, dgl=false), pydantic=2
1s
CI (macOS-13, py-3.10, rdkit=false, openeye=true, dgl=true), pydantic=2
1s
CI (macOS-13, py-3.10, rdkit=true, openeye=false, dgl=false), pydantic=2
1s
CI (macOS-13, py-3.10, rdkit=true, openeye=false, dgl=true), pydantic=2
1s
CI (macOS-13, py-3.10, rdkit=true, openeye=true, dgl=false), pydantic=2
1s
CI (macOS-13, py-3.10, rdkit=true, openeye=true, dgl=true), pydantic=2
1s
CI (macOS-13, py-3.11, rdkit=false, openeye=true, dgl=false), pydantic=1
1s
CI (macOS-13, py-3.11, rdkit=false, openeye=true, dgl=true), pydantic=1
1s
CI (macOS-13, py-3.11, rdkit=true, openeye=false, dgl=false), pydantic=1
1s
CI (macOS-13, py-3.11, rdkit=true, openeye=false, dgl=true), pydantic=1
1s
CI (macOS-13, py-3.11, rdkit=true, openeye=true, dgl=false), pydantic=1
1s
CI (macOS-13, py-3.11, rdkit=true, openeye=true, dgl=true), pydantic=1
1s
CI (macOS-13, py-3.11, rdkit=false, openeye=true, dgl=false), pydantic=2
1s
CI (macOS-13, py-3.11, rdkit=false, openeye=true, dgl=true), pydantic=2
1s
CI (macOS-13, py-3.11, rdkit=true, openeye=false, dgl=false), pydantic=2
1s
CI (macOS-13, py-3.11, rdkit=true, openeye=false, dgl=true), pydantic=2
1s
CI (macOS-13, py-3.11, rdkit=true, openeye=true, dgl=false), pydantic=2
1s
CI (macOS-13, py-3.11, rdkit=true, openeye=true, dgl=true), pydantic=2
1s
CI (macOS-13, py-3.12, rdkit=false, openeye=true, dgl=false), pydantic=1
1s
CI (macOS-13, py-3.12, rdkit=false, openeye=true, dgl=true), pydantic=1
1s
CI (macOS-13, py-3.12, rdkit=true, openeye=false, dgl=false), pydantic=1
1s
CI (macOS-13, py-3.12, rdkit=true, openeye=false, dgl=true), pydantic=1
1s
CI (macOS-13, py-3.12, rdkit=true, openeye=true, dgl=false), pydantic=1
1s
CI (macOS-13, py-3.12, rdkit=true, openeye=true, dgl=true), pydantic=1
1s
CI (macOS-13, py-3.12, rdkit=false, openeye=true, dgl=false), pydantic=2
1s
CI (macOS-13, py-3.12, rdkit=false, openeye=true, dgl=true), pydantic=2
1s
CI (macOS-13, py-3.12, rdkit=true, openeye=false, dgl=false), pydantic=2
1s
CI (macOS-13, py-3.12, rdkit=true, openeye=false, dgl=true), pydantic=2
1s
CI (macOS-13, py-3.12, rdkit=true, openeye=true, dgl=false), pydantic=2
1s
CI (macOS-13, py-3.12, rdkit=true, openeye=true, dgl=true), pydantic=2
1s
CI (macOS-latest, py-3.10, rdkit=false, openeye=true, dgl=false), pydantic=1
1s
CI (macOS-latest, py-3.10, rdkit=false, openeye=true, dgl=true), pydantic=1
1s
CI (macOS-latest, py-3.10, rdkit=true, openeye=false, dgl=false), pydantic=1
1s
CI (macOS-latest, py-3.10, rdkit=true, openeye=false, dgl=true), pydantic=1
1s
CI (macOS-latest, py-3.10, rdkit=true, openeye=true, dgl=false), pydantic=1
1s
CI (macOS-latest, py-3.10, rdkit=true, openeye=true, dgl=true), pydantic=1
1s
CI (macOS-latest, py-3.10, rdkit=false, openeye=true, dgl=false), pydantic=2
1s
CI (macOS-latest, py-3.10, rdkit=false, openeye=true, dgl=true), pydantic=2
1s
CI (macOS-latest, py-3.10, rdkit=true, openeye=false, dgl=false), pydantic=2
1s
CI (macOS-latest, py-3.10, rdkit=true, openeye=false, dgl=true), pydantic=2
1s
CI (macOS-latest, py-3.10, rdkit=true, openeye=true, dgl=false), pydantic=2
1s
CI (macOS-latest, py-3.10, rdkit=true, openeye=true, dgl=true), pydantic=2
1s
CI (macOS-latest, py-3.11, rdkit=false, openeye=true, dgl=false), pydantic=1
1s
CI (macOS-latest, py-3.11, rdkit=false, openeye=true, dgl=true), pydantic=1
1s
CI (macOS-latest, py-3.11, rdkit=true, openeye=false, dgl=false), pydantic=1
1s
CI (macOS-latest, py-3.11, rdkit=true, openeye=false, dgl=true), pydantic=1
1s
CI (macOS-latest, py-3.11, rdkit=true, openeye=true, dgl=false), pydantic=1
1s
CI (macOS-latest, py-3.11, rdkit=true, openeye=true, dgl=true), pydantic=1
1s
CI (macOS-latest, py-3.11, rdkit=false, openeye=true, dgl=false), pydantic=2
1s
CI (macOS-latest, py-3.11, rdkit=false, openeye=true, dgl=true), pydantic=2
1s
CI (macOS-latest, py-3.11, rdkit=true, openeye=false, dgl=false), pydantic=2
1s
CI (macOS-latest, py-3.11, rdkit=true, openeye=false, dgl=true), pydantic=2
1s
CI (macOS-latest, py-3.11, rdkit=true, openeye=true, dgl=false), pydantic=2
1s
CI (macOS-latest, py-3.11, rdkit=true, openeye=true, dgl=true), pydantic=2
1s
CI (macOS-latest, py-3.12, rdkit=false, openeye=true, dgl=false), pydantic=1
1s
CI (macOS-latest, py-3.12, rdkit=false, openeye=true, dgl=true), pydantic=1
1s
CI (macOS-latest, py-3.12, rdkit=true, openeye=false, dgl=false), pydantic=1
1s
CI (macOS-latest, py-3.12, rdkit=true, openeye=false, dgl=true), pydantic=1
1s
CI (macOS-latest, py-3.12, rdkit=true, openeye=true, dgl=false), pydantic=1
1s
CI (macOS-latest, py-3.12, rdkit=true, openeye=true, dgl=true), pydantic=1
1s
CI (macOS-latest, py-3.12, rdkit=false, openeye=true, dgl=false), pydantic=2
1s
CI (macOS-latest, py-3.12, rdkit=false, openeye=true, dgl=true), pydantic=2
1s
CI (macOS-latest, py-3.12, rdkit=true, openeye=false, dgl=false), pydantic=2
1s
CI (macOS-latest, py-3.12, rdkit=true, openeye=false, dgl=true), pydantic=2
1s
CI (macOS-latest, py-3.12, rdkit=true, openeye=true, dgl=false), pydantic=2
1s
CI (macOS-latest, py-3.12, rdkit=true, openeye=true, dgl=true), pydantic=2
1s
CI (ubuntu-latest, py-3.10, rdkit=false, openeye=true, dgl=false), pydantic=1
2m 36s
CI (ubuntu-latest, py-3.10, rdkit=false, openeye=true, dgl=true), pydantic=1
2m 37s
CI (ubuntu-latest, py-3.10, rdkit=true, openeye=false, dgl=false), pydantic=1
1s
CI (ubuntu-latest, py-3.10, rdkit=true, openeye=false, dgl=true), pydantic=1
2m 11s
CI (ubuntu-latest, py-3.10, rdkit=true, openeye=true, dgl=false), pydantic=1
2m 7s
CI (ubuntu-latest, py-3.10, rdkit=true, openeye=true, dgl=true), pydantic=1
1s
CI (ubuntu-latest, py-3.10, rdkit=false, openeye=true, dgl=false), pydantic=2
1s
CI (ubuntu-latest, py-3.10, rdkit=false, openeye=true, dgl=true), pydantic=2
1s
CI (ubuntu-latest, py-3.10, rdkit=true, openeye=false, dgl=false), pydantic=2
1s
CI (ubuntu-latest, py-3.10, rdkit=true, openeye=false, dgl=true), pydantic=2
1s
CI (ubuntu-latest, py-3.10, rdkit=true, openeye=true, dgl=false), pydantic=2
1s
CI (ubuntu-latest, py-3.10, rdkit=true, openeye=true, dgl=true), pydantic=2
1s
CI (ubuntu-latest, py-3.11, rdkit=false, openeye=true, dgl=false), pydantic=1
1s
CI (ubuntu-latest, py-3.11, rdkit=false, openeye=true, dgl=true), pydantic=1
1s
CI (ubuntu-latest, py-3.11, rdkit=true, openeye=false, dgl=false), pydantic=1
1s
CI (ubuntu-latest, py-3.11, rdkit=true, openeye=false, dgl=true), pydantic=1
1s
CI (ubuntu-latest, py-3.11, rdkit=true, openeye=true, dgl=false), pydantic=1
1s
CI (ubuntu-latest, py-3.11, rdkit=true, openeye=true, dgl=true), pydantic=1
1s
CI (ubuntu-latest, py-3.11, rdkit=false, openeye=true, dgl=false), pydantic=2
1s
CI (ubuntu-latest, py-3.11, rdkit=false, openeye=true, dgl=true), pydantic=2
1s
CI (ubuntu-latest, py-3.11, rdkit=true, openeye=false, dgl=false), pydantic=2
1s
CI (ubuntu-latest, py-3.11, rdkit=true, openeye=false, dgl=true), pydantic=2
1s
CI (ubuntu-latest, py-3.11, rdkit=true, openeye=true, dgl=false), pydantic=2
1s
CI (ubuntu-latest, py-3.11, rdkit=true, openeye=true, dgl=true), pydantic=2
1s
CI (ubuntu-latest, py-3.12, rdkit=false, openeye=true, dgl=false), pydantic=1
1s
CI (ubuntu-latest, py-3.12, rdkit=false, openeye=true, dgl=true), pydantic=1
1s
CI (ubuntu-latest, py-3.12, rdkit=true, openeye=false, dgl=false), pydantic=1
1s
CI (ubuntu-latest, py-3.12, rdkit=true, openeye=false, dgl=true), pydantic=1
1s
CI (ubuntu-latest, py-3.12, rdkit=true, openeye=true, dgl=false), pydantic=1
1s
CI (ubuntu-latest, py-3.12, rdkit=true, openeye=true, dgl=true), pydantic=1
1s
CI (ubuntu-latest, py-3.12, rdkit=false, openeye=true, dgl=false), pydantic=2
1s
CI (ubuntu-latest, py-3.12, rdkit=false, openeye=true, dgl=true), pydantic=2
1s
CI (ubuntu-latest, py-3.12, rdkit=true, openeye=false, dgl=false), pydantic=2
1s
CI (ubuntu-latest, py-3.12, rdkit=true, openeye=false, dgl=true), pydantic=2
1s
CI (ubuntu-latest, py-3.12, rdkit=true, openeye=true, dgl=false), pydantic=2
1s
CI (ubuntu-latest, py-3.12, rdkit=true, openeye=true, dgl=true), pydantic=2
1s
19m 56s