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Add LAMMPS testing #78
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7e22116
Test box module with LAMMPS.
clpetix 7f3ab64
Test data file module with LAMMPS
mayukhkundu14 ac8671b
Minor fix
mayukhkundu14 5133811
Modify topology test for the data file
mayukh33 987e93b
Minor comment fix
mayukh33 cabb042
Apply suggested fixes
mayukh33 1f9a779
Ensure tests only run when LAMMPS is found and clean up topology test.
clpetix efcc22a
Remove redundant LAMMPS checks on the box.
clpetix 2ff7749
Add LAMMPS testing to copy_from methods in dump file.
clpetix 00f4641
Add LAMMPS skip condition to copy_from tests
clpetix f6c05fd
Fix triclinic box dimensions in fixtures and tests to ensure all part…
clpetix 1fdf46b
Test copy from methods using LAMMPS.
clpetix e9b8817
Test dump file with all parameters with LAMMPS.
clpetix 6f319ec
Add LAMMPS skip condition to test_dump_file_all_lammps if LAMMPS is n…
clpetix 2e87def
Add LAMMPS testing job to GitHub Actions workflow
clpetix 4174ce9
Fix LAMMPS testing with GitHub runners.
clpetix 07af0e3
Remove MPI portions and duplicate test from test.yml
clpetix 02310cd
Use tmp_path in test_data_file.
clpetix ecf8cb3
Apply reviewer's suggestions to test_data_file.
clpetix 2346be9
Combine GitHub tests to one step.
clpetix ac59c42
Remove vestigial sorting.
clpetix bdc99c9
Fix test_dump to only test dump and streamline test.
clpetix a5620fc
Add lammps marker to ensure tests only run once.
clpetix d6193b1
Include custom marker.
clpetix 4a55978
Remove reliance on os to check file exists.
clpetix 3f85f19
Add dump minimum LAMMPS test.
clpetix c38d27e
Make creation of two atoms separate cmds.
clpetix 38c66fd
Add comment to clarify atom ID assignment in LAMMPS test
clpetix 19ead46
Fix small typos in tests.
clpetix f23181b
Do LAMMPS test with optins by default.
clpetix 64760a8
Update LAMMPS test implementations.
clpetix 30f43d1
Fix white space in test_data_file_topology_lammps file.
clpetix c6c198f
Put LAMMPS version in test names.
clpetix 5145555
Apply suggestions from code review
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Original file line number | Diff line number | Diff line change |
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@@ -11,3 +11,6 @@ target-version = ["py39"] | |
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[tool.isort] | ||
profile = "black" | ||
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||
[tool.pytest.ini_options] | ||
markers = ["lammps"] |
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