Package dependencies

Mrsimulator works with Python versions >3.7 and is compatible with the following operating systems:

• MacOS 10.15 or later

• Windows 7 or later

• Most releases of Linux

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mrsimulator depends on the following packages:

Required packages

• NumPy>=1.17

• matplotlib>=3.3.4 for figures and visualization

• lmfit>=1.0.3 for least-squares fitting

• pandas>=1.1.3

• csdmpy>=0.4.1

• pydantic>=1.9

• nmrglue>=0.9

• monty>=2.0.4

• typing-extensions>=3.7

• numexpr>=2.7.1

• psutil>=5.4.8

• joblib>=1.0.0

Required libraries for local build

• openblas

• fftw

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For mrsimualtor developers, the following packages are required:

For building C libraries

• cython>=0.29.14

For unit tests - sympy - pytest>=5.3 - pytest-cov - sybil>=3.0.0

For formatting

• black

• pre-commit>=2.11.1

For building documentation

• sphinxjp.themes.basicstrap

• sphinx>=2.0

• sphinx-gallery>=0.10

• pillow>=7.1.2

• breathe==4.34.0

• sphinx_copybutton>=0.3.0

• sphinx-tabs>=1.1.13

• recommonmark

• sphinx-version-warning