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pythonPackages.atomman: init at 1.2.3 #48183
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Package name normalize and ready for merge. |
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Commit message needs to be fixed and merge conflict needs to be resolved.
propagatedBuildInputs = [ xmltodict datamodeldict numpy matplotlib scipy pandas cython numericalunits ]; | ||
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# tests not included with Pypi release | ||
doCheck = false; |
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You should enable tests once a new version with this PR merged is released.
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@dotlambda fixed merge conflict. I will create a new PR later to include tests if atomman adds them. |
@GrahamcOfBorg build python2.pkgs.atomman python3.pkgs.atomman |
Success on x86_64-darwin (full log) Attempted: python2.pkgs.atomman, python3.pkgs.atomman Partial log (click to expand)
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Success on x86_64-linux (full log) Attempted: python2.pkgs.atomman, python3.pkgs.atomman Partial log (click to expand)
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Failure on aarch64-linux (full log) Attempted: python2.pkgs.atomman, python3.pkgs.atomman Partial log (click to expand)
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Motivation for this change
Material science python packages for molecular dynamics.
Things done
pythonPackages.numericalunits: init at 1.16
pythonPackages.DataModelDict: init at 0.9.4
pythonPackages.atomman: init at 1.2.3
sandbox
innix.conf
on non-NixOS)nix-shell -p nox --run "nox-review wip"
./result/bin/
)nix path-info -S
before and after)