benchmark with MP dataset

spglib · Apr 20, 2024 · b899e43 · b899e43
1 parent 4af9172
commit b899e43
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diff --git a/.gitignore b/.gitignore
@@ -348,14 +348,15 @@ docs/_build/
 # Others
 ###############################################################################
 .vscode/
-*.ipynb
 flamegraph.svg
 output/
 target/
 *.so
+.ipynb_checkpoints/
 
 *.json
 !**/assets/*.json
 .env
+*.png
 
 docs/note/
diff --git a/README.md b/README.md
@@ -1,6 +1,6 @@
 # moyo
 
-🚧 This project is under construction 🚧
+[![moyo at crates.io](https://img.shields.io/crates/v/moyo.svg)](https://img.shields.io/crates/v/moyo)
 
 ## Interfaces
 
@@ -19,6 +19,14 @@
 - Crystallographic groups in other than three dimensions
 - Matching two similar crystal structures
 
+## Dev
+
+### How to release
+
+1. Increment the version number in `Cargo.toml`
+1. `cargo release --execute`
+1. `git push origin <tag-version>`
+
 ## Acknowledgments
 
 We thank Dr. Yusuke Seto for providing the crystallographic database.
diff --git a/bench/mp/analysis.ipynb b/bench/mp/analysis.ipynb
diff --git a/bench/get_mp.py → bench/mp/get_mp.py b/bench/get_mp.py → bench/mp/get_mp.py
diff --git a/bench/mp.py → bench/mp/mp.py b/bench/mp.py → bench/mp/mp.py
diff --git a/bench/requirements.txt b/bench/requirements.txt
@@ -2,3 +2,4 @@ matbench-discovery==1.1.1
 ipython
 nbformat
 mp_api
+seaborn