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Merge next for version 3.1.1 - #15

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MSallermann merged 7 commits into
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Jul 16, 2026
Merged

Merge next for version 3.1.1#15
MSallermann merged 7 commits into
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MSallermann and others added 5 commits May 4, 2026 11:52
- add init, ask, tell, and finish lifecycle methods
- reuse the lifecycle in SciPy and Nevergrad backends
- support parallel and partial evaluation batches
- handle Nevergrad budget remainders
- document custom optimization loops
the difference to the current logo is that the
font has been converted to a path, which renders
the same on all machines (previously the logo
would look weird if the font was not available and
a fallback font was used)

The docs and the readme now use the portable
version

the portable version is in
`logo/chemfit_logo_portable.svg`, the editable
version remains as
`logo/chemfit_logo_portable.svg`
* file_based_computer: implemented a new options
that allows the output parsing to be attempted
even if subprocess run failed

* file_based_computer: parsing after subproc failure

Add coverage for opt-in output parsing after CalledProcessError and preserve
the default failure behavior. Document the option and make subprocess
diagnostics handle both text and byte output.
now points to the root readthedocs link (instead
of /latest). This way the link goes to whatever
is configured as the default version on
readthedocs

Also moved the mention of the documentation before
the installation section
@MSallermann
MSallermann merged commit 73b78e0 into main Jul 16, 2026
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