diff --git a/pyproject.toml b/pyproject.toml index 20983c95..e2b9f9c4 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -17,7 +17,7 @@ authors = [ ] maintainers = [{ name = "Janosh Riebesell" }, { name = "Shyue Ping Ong" }] readme = "README.md" -keywords = ["jit", "job", "just-in-time", "management", "vasp"] +keywords = ["jit", "job", "just-in-time", "management", "vasp", "nwchem", "qchem"] classifiers = [ "Development Status :: 4 - Beta", "Intended Audience :: Science/Research", @@ -38,7 +38,7 @@ requires-python = ">=3.9" dependencies = ["monty>=2.0.6", "psutil", "ruamel.yaml>=0.15.6"] [project.optional-dependencies] -materials = ["pymatgen"] # Error handlers and jobs for materials simulations, e.g., VASP, Nwchem, qchem, etc. +matsci = ["pymatgen"] # Error handlers and jobs for materials simulations, e.g., VASP, Nwchem, qchem, etc. gaussian = ["pymatgen", "matplotlib"] dev = ["pymatgen", "pytest", "pytest-cov"] lint = ["mypy", "pre-commit", "ruff"] @@ -57,7 +57,7 @@ Repo = "https://github.com/materialsproject/custodian" Package = "https://pypi.org/project/custodian" [tool.setuptools.packages.find] -include = ["custodian*"] +include = ["custodian.*"] exclude = ["*.tests", "*.tests.*"] [tool.ruff]