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Expand file tree Collapse file tree Original file line number Diff line number Diff line change 1919# - April 17, 2024 Limit versions of cclib at advice of maintainers.
2020# - August 4, 2024 Restricted pyrms to <2
2121# - May 14, 2024 Removed diffeqpy by switching to call SciMLBase and Sundials using JuliaCall
22-
22+ # - March 15, 2024 - started migration to Python 3.9
23+ #
2324name : rmg_env
2425channels :
2526 - rmg
@@ -44,7 +45,7 @@ dependencies:
4445
4546# external software tools for chemistry
4647 - coolprop
47- - cantera::cantera=2.6
48+ - cantera::cantera >=3
4849 - conda-forge::mopac
4950 # see https://github.com/ReactionMechanismGenerator/RMG-Py/pull/2639#issuecomment-2050292972
5051 - conda-forge::cclib >=1.6.3,<1.9
@@ -56,11 +57,11 @@ dependencies:
5657 - conda-forge::pyjuliacall # for calling julia packages
5758
5859# Python tools
59- - python >=3.7
60+ - python >=3.9 # leave as GEQ so that GitHub actions can add EQ w/o breaking (contradictory deps)
6061 - coverage
6162 - cython >=0.25.2
6263 - scikit-learn
63- - scipy <1.11
64+ - scipy
6465 - numpy >=1.10.0
6566 - pydot
6667 - jinja2
@@ -71,13 +72,7 @@ dependencies:
7172 - networkx
7273 - pytest
7374 - pytest-cov
74- # we use a the pytest-check plugin, which is on Conda and PyPI, but the
75- # version compatible with Python 3.7 is only on PyPI
76- # switch to the conda version after upgrading to 3.11
77- # - conda-forge::pytest-check
78- - pip
79- - pip :
80- - pytest-check
75+ - conda-forge::pytest-check
8176 - matplotlib >=1.5
8277 - mpmath
8378 - pandas
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