diff --git a/materials/sources/manifest.yml b/materials/sources/manifest.yml new file mode 100644 index 0000000..ecf322a --- /dev/null +++ b/materials/sources/manifest.yml @@ -0,0 +1,23 @@ +sources: + - filename: 2dm-3993.poscar + common_name: Graphene + lattice_type: HEX + space_group: P6/mmm + dimensionality: 2D + form_factor: Monolayer + source_id: 2dm-3993 + source: 2dmatpedia + doi: 10.1038/s41597-019-0097-3 + url: http://www.2dmatpedia.org/2dmaterials/doc/2dm-3993/ + - filename: 2dm-4991.poscar + common_name: Hexagonal Boron Nitride + lattice_type: HEX + space_group: P6/mmm + dimensionality: 2D + form_factor: Monolayer + source_id: 2dm-4991 + source: 2dmatpedia + doi: 10.1038/s41597-019-0097-3 + url: http://www.2dmatpedia.org/2dmaterials/doc/2dm-4991/ + + \ No newline at end of file diff --git a/pyproject.toml b/pyproject.toml index c6be38b..e86b43c 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -22,7 +22,7 @@ dependencies = [ ] [project.optional-dependencies] -dev = ["pre-commit", "black", "ruff", "isort", "mypy", "pip-tools"] +dev = ["pre-commit", "black", "ruff", "isort", "mypy", "pip-tools", "express-py"] tests = ["pytest", "pytest-cov", "pytest-mock"] # Entrypoint scripts can be defined here, see examples below.