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EITHER putting the OE license back, OR changing the little remaining functionality that requires it over to SDF (should be possible now that OFFTK supports partial-charges-in-SDF). I'd think that the latter is a better choice since it will remove the need for an OE license in CI and will let @leeping allow PRs from forks.
Re-enabling Py27 tests
Re-establishing double precision GROMACS builds
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Some folks have move GROMACS over from Bioconda to Conda Forge. I have a feedstock up that adds double-precision builds - it should be as simple as specifying it in the environment file.
The text was updated successfully, but these errors were encountered: