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12 changes: 12 additions & 0 deletions environment.yml
Original file line number Diff line number Diff line change
Expand Up @@ -105,6 +105,18 @@ dependencies:
# configure packages to use OpenBLAS instead of Intel MKL
- blas=*=openblas

# Cantera 2.6 on the Cantera channel is configured to use Intel MKL. It doesn't specify a version minimum
# but crashes if MKL is too old, so we have to enforce a minimum version here. But, if we can switch over
# to the conda-forge version, we should be able to remove this line (and maybe the two after it)
# because it use OpenBLAS instead.
- conda-forge::mkl >=2023.1.0
# 2023.1.0 is just a guess at the minimum version. Older versions might work too.
- conda-forge::libcurl <= 8.9
# There's a Julia/PyCall installation bug associated with libcurl 8.10+:
# https://discourse.julialang.org/t/curl-multi-assign-and-segmentation-fault-when-installing-package/120901/3
- conda-forge::pyopenssl >20
# ThermoCentralDatabaseInterface fails if pyopenssl is too old. 20 is just a guess at the version number.

# additional packages that are required, but not specified here (and why)
# pydqed, pydas, mopac, and likely others require a fortran compiler (specifically gfortran)
# in the environment. Normally we would add this to the environment file with
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4 changes: 2 additions & 2 deletions test/rmgpy/rmg/inputTest.py
Original file line number Diff line number Diff line change
Expand Up @@ -117,7 +117,7 @@ def test_ml_estimator(self):
assert isinstance(rmg.ml_settings, dict)


class TestInputThemoCentralDatabase:
class TestInputThermoCentralDatabase:
"""
Contains unit tests rmgpy.rmg.input.thermo_central_database
"""
Expand All @@ -127,7 +127,7 @@ def teardown_class(self):
global rmg
rmg.thermo_central_database = None

def test_themo_central_database(self):
def test_thermo_central_database(self):
"""
Test that we can input.
"""
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