Consolidate package configuration in pyproject.toml - #152

Merged

RMeli merged 16 commits into

copilot/move-to-pyproject-toml

Dec 21, 2025

Commits on Dec 20, 2025

Initial plan
Copilot
committed
f144b1f
Migrate configuration to pyproject.toml

Copilot
and
RMeli
committed
e102e4e
Remove setup.cfg, setup.py, and .coveragerc

Copilot
and
RMeli
committed
5e11cf2
Fix pre-commit formatting issues

Copilot
and
RMeli
committed
17e36fb
Add platform classifiers to pyproject.toml

Copilot
and
RMeli
committed
e82ee90
Merge develop branch and remove openbabel dependency

Copilot
and
RMeli
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93435cf
Merge develop branch into move-to-pyproject-toml
Copilot
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b6ca06d
Push merge commit (temp marker)

Copilot
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RMeli
committed
a08caa7
Remove temporary merge marker file

Copilot
and
RMeli
committed
baea991

Commits on Dec 21, 2025

Apply suggestion from @RMeli
RMeli
authored
6fa53bd
Add test and dev optional dependencies to pyproject.toml

Copilot
and
RMeli
committed
3f8a41c
Add pebble as optional dependency for parallelization

Copilot
and
RMeli
committed
3d646d7
Add requests to test optional dependencies

Copilot
and
RMeli
committed
7ebf786
Update CHANGELOG with pyproject.toml migration changes

Copilot
and
RMeli
committed
43afe0d
Apply suggestion from @RMeli
RMeli
authored
0e27009
Apply suggestions from code review
RMeli
authored
d57e619