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bump python, encourage higher versions for other deps, remove pip deps
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environment.yml

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# - April 17, 2024 Limit versions of cclib at advice of maintainers.
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# - August 4, 2024 Restricted pyrms to <2
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# - May 14, 2024 Removed diffeqpy by switching to call SciMLBase and Sundials using JuliaCall
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# - March 15, 2024 - started migration to Python 3.9
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#
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name: rmg_env
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channels:
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- rmg
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# external software tools for chemistry
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- coolprop
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- cantera::cantera=2.6
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- cantera::cantera >=3
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- conda-forge::mopac
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# see https://github.com/ReactionMechanismGenerator/RMG-Py/pull/2639#issuecomment-2050292972
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- conda-forge::cclib >=1.6.3,<1.9
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- conda-forge::pyjuliacall # for calling julia packages
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# Python tools
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- python >=3.7
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- python >=3.9 # leave as GEQ so that GitHub actions can add EQ w/o breaking (contradictory deps)
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- coverage
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- cython >=0.25.2
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- scikit-learn
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- scipy <1.11
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- scipy
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- numpy >=1.10.0
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- pydot
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- jinja2
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- networkx
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- pytest
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- pytest-cov
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# we use a the pytest-check plugin, which is on Conda and PyPI, but the
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# version compatible with Python 3.7 is only on PyPI
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# switch to the conda version after upgrading to 3.11
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# - conda-forge::pytest-check
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- pip
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- pip:
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- pytest-check
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- conda-forge::pytest-check
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- matplotlib >=1.5
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- mpmath
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- pandas

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