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spack.io : py-gmxapi

Python bindings and ensemble workflow management for GROMACS. The GROMACS C++ API is affected by its package variants. You can specify a particular GROMACS API by making the dependency variant explicit. E.g. ``spack install gmxapi ^gromacs+mpi~double``

Registry - Source - JSON
purl: pkg:spack/py-gmxapi
License: Other
Latest release: 10 months ago
First release: about 1 year ago
Last synced: 4 days ago

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