chore: use poetry for python dependencies

Dockerfile

@@ -33,6 +33,8 @@ EOF
 # Strip all the binaries
 #RUN find -L /spack/opt/spack -type f -exec readlink -f '{}' \; | xargs file -i | grep 'charset=binary' | grep 'x-executable\|x-archive\|x-sharedlib' | awk -F: '{print $1}' | xargs strip -S
 
+RUN curl -sSL https://install.python-poetry.org | POETRY_HOME=/usr/local python3 -
+
 RUN sed -i 's/  exec "\/bin\/bash"/  exec "\/bin\/bash" "-l"/g'  /opt/nvidia/nvidia_entrypoint.sh \
  && sed -i 's/  exec "$@"/  exec "\/bin\/bash" "-l" "-c" "$*"/g' /opt/nvidia/nvidia_entrypoint.sh
 

pyproject.toml

@@ -0,0 +1,16 @@
+[tool.poetry]
+name = "esi-shell"
+description = ""
+authors = ["BNL NPPS"]
+readme = "README.md"
+package-mode = false
+
+[tool.poetry.dependencies]
+python = "^3.10"
+ipython = "^8.24.0"
+numpy = "^1.26.4"
+pyvista = "^0.43.8"
+
+[build-system]
+requires = ["poetry-core"]
+build-backend = "poetry.core.masonry.api"