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To-do items for Github Actions CI #199

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leeping opened this issue Jan 21, 2021 · 1 comment
Open

To-do items for Github Actions CI #199

leeping opened this issue Jan 21, 2021 · 1 comment

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@leeping
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leeping commented Jan 21, 2021

  • 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
@mattwthompson
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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.

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