From 62660937bc5ea34701c0d2b213b31a4560d19c77 Mon Sep 17 00:00:00 2001 From: hongyi-zhao Date: Fri, 1 Nov 2024 19:59:39 +0800 Subject: [PATCH] feat: add dedicated fireworks optional dependency (Fix #1033). (#1035) * 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. --- pyproject.toml | 1 + 1 file changed, 1 insertion(+) diff --git a/pyproject.toml b/pyproject.toml index 9bf506a0c9..13a8431876 100644 --- 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",