forcebalance
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To-do items for Github Actions CI
- 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
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.