Turbomole V76 (#43)

* updates for supporting TM v7.6 * fix linting * Updated version and documentation for 1.3.1 release. * Update version of isort in .pre-commit-config This is to solve an issue with poetry config that is used in isort. * Update pyproject.toml Changed requirement on pymatgen version. * Update pyproject.toml Updated monty's dependency * Fixed comparison in test_files. * Fixed comparison utility function for tests. * Linting. * Fixed import error of plotting function from pymatgen for py3.9+. * Updated docs html. * Added tests_config.yaml and TMV6 in list of tests to be performed. * Updated docs and version. --------- Co-authored-by: Guido Petretto <[email protected]>
Matgenix · Feb 23, 2024 · ebe724f · ebe724f
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