feat: add dedicated fireworks optional dependency (Fix #1033). (#1035)

hongyi-zhao · web-flow · commit 62660937bc5e · 2024-11-01T12:59:39.000+01:00
* feat: add dedicated fireworks optional dependency

Move FireWorks dependency from docs and tests to its own optional dependency
group. This allows users to explicitly install FireWorks components with
`pip install atomate2[fireworks]` and makes the dependency structure more
modular and clear.

* Update pyproject.toml

* fix little typo.
diff --git a/pyproject.toml b/pyproject.toml
@@ -68,6 +68,7 @@ openmm = [
     "openmm-mdanalysis-reporter>=0.1.0",
     "openmm>=8.1.0",
 ]
+fireworks = ["FireWorks==2.0.3"]
 docs = [
     "FireWorks==2.0.3",
     "autodoc_pydantic==2.2.0",

Original file line number	Diff line number	Diff line change
`@@ -68,6 +68,7 @@ openmm = [`
`68`	`68`	`"openmm-mdanalysis-reporter>=0.1.0",`
`69`	`69`	`"openmm>=8.1.0",`
`70`	`70`	`]`
	`71`	`+fireworks = ["FireWorks==2.0.3"]`
`71`	`72`	`docs = [`
`72`	`73`	`"FireWorks==2.0.3",`
`73`	`74`	`"autodoc_pydantic==2.2.0",`