Skip to content

Commit

Permalink
Merge branch 'bugfix'
Browse files Browse the repository at this point in the history
  • Loading branch information
JosephMontoya-TRI committed Apr 24, 2023
2 parents 40434cb + e8c5b00 commit de6222f
Show file tree
Hide file tree
Showing 5 changed files with 741 additions and 1,622 deletions.
4 changes: 2 additions & 2 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -20,8 +20,8 @@ Tutorial jupyter notebooks showing how to use _piro_ locally are provided in the

## Prerequisites

### Python 3.7
- `piro` uses Python 3.7. If you wish to develop or run a local server, we recommend following the Docker instructions below to create your own `piro` container instead of configuring your local environment.
### Python 3.9
- `piro` uses Python 3.9. If you wish to develop or run a local server, you can also following the Docker instructions below to create your own `piro` container instead of configuring your local environment.

### Pymatgen API key
- `piro` has a dependency on `pymatgen` which requires you to generate an API key. Go [here](https://materialsproject.org/open) and follow the instructions to generate your API key.
Expand Down
2 changes: 1 addition & 1 deletion piro/__init__.py
Original file line number Diff line number Diff line change
@@ -1 +1 @@
__version__ = "2021.10.6-post0"
__version__ = "2023.4.24"
2,351 changes: 735 additions & 1,616 deletions piro/notebooks/BaTiO3-Example.ipynb

Large diffs are not rendered by default.

2 changes: 1 addition & 1 deletion setup.py
Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@

setup(
name="piro",
version="2021.10.6-post0",
version="2023.4.24",
packages=find_packages(),
description=DESCRIPTION,
long_description=LONG_DESCRIPTION,
Expand Down
4 changes: 2 additions & 2 deletions tests/unit_tests/test_routes.py
Original file line number Diff line number Diff line change
Expand Up @@ -49,8 +49,8 @@ def test_basic_route(self):
def test_explicit_includes(self):
route = SynthesisRoutes(
"mp-5020",
epitaxies={k.replace('mp-5020', '').strip('_'): v for k, v in loadfn(TEST_FILES / "_epitaxy_cache.json").items()},
similarities={k.replace('mp-5020', '').strip('_'): v for k, v in loadfn(TEST_FILES / "_epitaxy_cache.json").items()},
# epitaxies={k.replace('mp-5020', '').strip('_'): v for k, v in loadfn(TEST_FILES / "_epitaxy_cache.json").items()},
# similarities={k.replace('mp-5020', '').strip('_'): v for k, v in loadfn(TEST_FILES / "_epitaxy_cache.json").items()},
explicit_includes=["mp-2657"],
)
route.recommend_routes(temperature=298)
Expand Down

0 comments on commit de6222f

Please sign in to comment.