diff --git a/pyproject.toml b/pyproject.toml index ea2bcfd..9c6e719 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -62,12 +62,13 @@ test = [ "pytest", "pytest-xdist", "prefect==3.1.11", - "pymatgen@git+https://github.com/chiang-yuan/pymatgen" # hotfix for deprecated pymatgen property https://github.com/materialsproject/pymatgen/pull/4242 + "pymatgen>=2025.1.9" ] mace = [ "mace-torch==0.3.9", ] deepmd = [ + "torch==2.2.0", "deepmd-kit@git+https://github.com/deepmodeling/deepmd-kit.git@v3.0.0b4" ] diff --git a/serve/models/alerts.py b/serve/models/alerts.py deleted file mode 100644 index 9301ce2..0000000 --- a/serve/models/alerts.py +++ /dev/null @@ -1,4 +0,0 @@ -import streamlit as st - - -st.markdown("# Alerts") \ No newline at end of file diff --git a/serve/models/bugs.py b/serve/models/bugs.py deleted file mode 100644 index a50cdc7..0000000 --- a/serve/models/bugs.py +++ /dev/null @@ -1,4 +0,0 @@ -import streamlit as st - - -st.markdown("# Bugs") \ No newline at end of file diff --git a/serve/tools/history.py b/serve/tools/history.py deleted file mode 100644 index ab8fdea..0000000 --- a/serve/tools/history.py +++ /dev/null @@ -1,28 +0,0 @@ -import plotly.express as px -import streamlit as st - -st.markdown("# History") - - - -df = px.data.gapminder() - -fig = px.scatter( - df.query("year==2007"), - x="gdpPercap", - y="lifeExp", - size="pop", - color="continent", - hover_name="country", - log_x=True, - size_max=60, -) - -tab1, tab2 = st.tabs(["Streamlit theme (default)", "Plotly native theme"]) -with tab1: - # Use the Streamlit theme. - # This is the default. So you can also omit the theme argument. - st.plotly_chart(fig, theme="streamlit", use_container_width=True) -with tab2: - # Use the native Plotly theme. - st.plotly_chart(fig, theme=None, use_container_width=True) \ No newline at end of file diff --git a/serve/tools/search.py b/serve/tools/search.py deleted file mode 100644 index d184151..0000000 --- a/serve/tools/search.py +++ /dev/null @@ -1,4 +0,0 @@ -import streamlit as st - - -st.markdown("# Search") \ No newline at end of file