Update MUSCIA and Music-Box version (#359)

* update musica and music box version

* lower tolerances

Author: boulderdaze

CITATION.cff

@@ -1,7 +1,7 @@
 cff-version: 1.2.0
 message: If you use this software, please cite it as below.
 title: MusicBox
-version: v2.6.0
+version: v2.9.0
 authors:
   - family-names: Dawson
     given-names: Matthew

docker/Dockerfile

@@ -1,7 +1,7 @@
 FROM fedora:latest
 
 ARG MUSIC_BOX_TAG=main
-ARG MUSICA_TAG=v0.11.1.4
+ARG MUSICA_TAG=v0.12.0
 
 RUN dnf -y update \
     && dnf -y install \

pyproject.toml

@@ -25,7 +25,7 @@ classifiers = ["License :: OSI Approved :: Apache Software License"]
 dynamic = ["version", "description"]
 
 dependencies = [
-  "musica==0.11.1.4",
+  "musica==0.12.0",
   "xarray",
   "colorlog",
   "pandas",

src/acom_music_box/__init__.py

@@ -4,7 +4,7 @@
 This package contains modules for handling various aspects of a music box,
 including species, products, reactants, reactions, and more.
 """
-__version__ = "2.8.1"
+__version__ = "2.9.0"
 
 from .utils import convert_time, convert_pressure, convert_temperature, convert_concentration
 from .model_options import BoxModelOptions

tests/integration/test_chapman.py

@@ -29,8 +29,8 @@ def test_run(self):
                 assert math.isclose(
                     _model[column],
                     _expected[column],
-                    rel_tol=1e-19,
-                    abs_tol=1e-16,
+                    rel_tol=1.0e-12,
+                    abs_tol=1.0e-15,
                 ), f"Model results differ from expected for row index {_model_index} for species {column}"