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Finally fixed all the CI issues, what an absolute pain. Turns out the version of |
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This PR modernises the BioSimSpace build system by switching to
pixifor environment creation/maintenance andrattler-buildfor building conda packages. This builds on top of the changes to the Sire build system introduced here. In addition, the PR also removes the outdatedsetup.pyinstallation by introducing the a standardsrc/BioSimSpacelayout using apyproject.tom. I've also switched to usingversioningitfor package versioning for consistency with other downstream OpenBioSim packages.Other unrelated changes are:
Processbase class through the sub-module__init__to avoid lazy-loading issues.namd3, which was released in late 2025.This is the first time the CI will be run, so there might be minor issues to iron out.
Closes #358
develinto this branch before issuing this pull request (e.g. by runninggit pull origin devel): [y]