From 810555e31fcefc2cc97036d0998ecff1d5217f44 Mon Sep 17 00:00:00 2001
From: PythonFZ <fabian.zills@web.de>
Date: Thu, 27 Jul 2023 15:28:04 +0200
Subject: [PATCH 1/6] poetry update & new version

---
 poetry.lock                                  | 4309 +++++++++---------
 pyproject.toml                               |    8 +-
 tests/{test_atomsuite.py => test_ipsuite.py} |    2 +-
 3 files changed, 2109 insertions(+), 2210 deletions(-)
 rename tests/{test_atomsuite.py => test_ipsuite.py} (88%)

diff --git a/poetry.lock b/poetry.lock
index 7abeb95b..be98d842 100644
--- a/poetry.lock
+++ b/poetry.lock
@@ -1,10 +1,9 @@
-# This file is automatically @generated by Poetry 1.4.2 and should not be changed by hand.
+# This file is automatically @generated by Poetry 1.5.1 and should not be changed by hand.
 
 [[package]]
 name = "absl-py"
 version = "1.4.0"
 description = "Abseil Python Common Libraries, see https://github.com/abseil/abseil-py."
-category = "main"
 optional = true
 python-versions = ">=3.6"
 files = [
@@ -16,7 +15,6 @@ files = [
 name = "aiofiles"
 version = "22.1.0"
 description = "File support for asyncio."
-category = "dev"
 optional = false
 python-versions = ">=3.7,<4.0"
 files = [
@@ -26,99 +24,98 @@ files = [
 
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 name = "aiohttp"
-version = "3.8.4"
+version = "3.8.5"
 description = "Async http client/server framework (asyncio)"
-category = "main"
 optional = false
 python-versions = ">=3.6"
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 ]
 
 [package.dependencies]
@@ -137,7 +134,6 @@ speedups = ["Brotli", "aiodns", "cchardet"]
 name = "aiohttp-retry"
 version = "2.8.3"
 description = "Simple retry client for aiohttp"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -152,7 +148,6 @@ aiohttp = "*"
 name = "aiosignal"
 version = "1.3.1"
 description = "aiosignal: a list of registered asynchronous callbacks"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -167,7 +162,6 @@ frozenlist = ">=1.1.0"
 name = "aiosqlite"
 version = "0.19.0"
 description = "asyncio bridge to the standard sqlite3 module"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -183,7 +177,6 @@ docs = ["sphinx (==6.1.3)", "sphinx-mdinclude (==0.5.3)"]
 name = "amqp"
 version = "5.1.1"
 description = "Low-level AMQP client for Python (fork of amqplib)."
-category = "main"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -198,7 +191,6 @@ vine = ">=5.0.0"
 name = "antlr4-python3-runtime"
 version = "4.9.3"
 description = "ANTLR 4.9.3 runtime for Python 3.7"
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -207,32 +199,31 @@ files = [
 
 [[package]]
 name = "anyio"
-version = "3.6.2"
+version = "3.7.1"
 description = "High level compatibility layer for multiple asynchronous event loop implementations"
-category = "dev"
 optional = false
-python-versions = ">=3.6.2"
+python-versions = ">=3.7"
 files = [
-    {file = "anyio-3.6.2-py3-none-any.whl", hash = "sha256:fbbe32bd270d2a2ef3ed1c5d45041250284e31fc0a4df4a5a6071842051a51e3"},
-    {file = "anyio-3.6.2.tar.gz", hash = "sha256:25ea0d673ae30af41a0c442f81cf3b38c7e79fdc7b60335a4c14e05eb0947421"},
+    {file = "anyio-3.7.1-py3-none-any.whl", hash = "sha256:91dee416e570e92c64041bd18b900d1d6fa78dff7048769ce5ac5ddad004fbb5"},
+    {file = "anyio-3.7.1.tar.gz", hash = "sha256:44a3c9aba0f5defa43261a8b3efb97891f2bd7d804e0e1f56419befa1adfc780"},
 ]
 
 [package.dependencies]
+exceptiongroup = {version = "*", markers = "python_version < \"3.11\""}
 idna = ">=2.8"
 sniffio = ">=1.1"
 
 [package.extras]
-doc = ["packaging", "sphinx-autodoc-typehints (>=1.2.0)", "sphinx-rtd-theme"]
-test = ["contextlib2", "coverage[toml] (>=4.5)", "hypothesis (>=4.0)", "mock (>=4)", "pytest (>=7.0)", "pytest-mock (>=3.6.1)", "trustme", "uvloop (<0.15)", "uvloop (>=0.15)"]
-trio = ["trio (>=0.16,<0.22)"]
+doc = ["Sphinx", "packaging", "sphinx-autodoc-typehints (>=1.2.0)", "sphinx-rtd-theme (>=1.2.2)", "sphinxcontrib-jquery"]
+test = ["anyio[trio]", "coverage[toml] (>=4.5)", "hypothesis (>=4.0)", "mock (>=4)", "psutil (>=5.9)", "pytest (>=7.0)", "pytest-mock (>=3.6.1)", "trustme", "uvloop (>=0.17)"]
+trio = ["trio (<0.22)"]
 
 [[package]]
 name = "apax"
 version = "0.1.0"
-description = "Atomistic Learned Potentail Package in JAX"
-category = "main"
+description = "Atomistic Learned Potential Package in JAX"
 optional = true
-python-versions = "^3.10.0"
+python-versions = ">=3.10,<3.12"
 files = []
 develop = false
 
@@ -240,27 +231,30 @@ develop = false
 ase = "^3.22.1"
 chex = "^0.1.5"
 clu = "^0.0.7"
+e3nn-jax = "0.19.1"
 einops = "^0.6.0"
 jax = "^0.4.1"
 jax-md = "^0.2.3"
 jaxtyping = "^0.2.8"
+lazy-loader = "^0.2"
+matscipy = "^0.8.0"
 numpy = "^1.23"
 optax = "^0.1.3"
 pydantic = "^1.10.2"
 tensorflow-cpu = "^2.11.0"
 typer = "^0.7.0"
+znh5md = "^0.1.7"
 
 [package.source]
 type = "git"
 url = "https://github.com/apax-hub/apax.git"
 reference = "dev"
-resolved_reference = "37418f70129305dca94a2fbbb794c5df5daa3401"
+resolved_reference = "331ee30a27c816438fdb8a8e1583f2f54b4723f5"
 
 [[package]]
 name = "appdirs"
 version = "1.4.4"
 description = "A small Python module for determining appropriate platform-specific dirs, e.g. a \"user data dir\"."
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -272,7 +266,6 @@ files = [
 name = "appnope"
 version = "0.1.3"
 description = "Disable App Nap on macOS >= 10.9"
-category = "dev"
 optional = false
 python-versions = "*"
 files = [
@@ -284,7 +277,6 @@ files = [
 name = "argon2-cffi"
 version = "21.3.0"
 description = "The secure Argon2 password hashing algorithm."
-category = "dev"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -304,7 +296,6 @@ tests = ["coverage[toml] (>=5.0.2)", "hypothesis", "pytest"]
 name = "argon2-cffi-bindings"
 version = "21.2.0"
 description = "Low-level CFFI bindings for Argon2"
-category = "dev"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -340,15 +331,14 @@ tests = ["pytest"]
 
 [[package]]
 name = "array-record"
-version = "0.2.0"
+version = "0.4.0"
 description = "A file format that achieves a new frontier of IO efficiency"
-category = "main"
 optional = true
 python-versions = ">=3.8"
 files = [
-    {file = "array_record-0.2.0-py310-none-any.whl", hash = "sha256:4b9335c7e21b54f559bada68b26f79309903015ff65101d4a3c3c42c62658398"},
-    {file = "array_record-0.2.0-py38-none-any.whl", hash = "sha256:12ce6844f8acb2e65f0bc4d8bcecbe19ac45a39cd2ba5bb56828668f118b1e87"},
-    {file = "array_record-0.2.0-py39-none-any.whl", hash = "sha256:d3b9a3a0d11f43a06a37fd8129d78e2894d7ff65b5fa53def198698c5592562a"},
+    {file = "array_record-0.4.0-py310-none-any.whl", hash = "sha256:5470d4e912d1ff3dffb4dc49883740aeecf572f6ba707bb9373325b0aacb6178"},
+    {file = "array_record-0.4.0-py38-none-any.whl", hash = "sha256:ca2768a1da3a593666f21709707eb9dc5fb95c8c915cf61795ed9269165ab003"},
+    {file = "array_record-0.4.0-py39-none-any.whl", hash = "sha256:0adae765e4111776d378e48bba6d76bd9e7c986c38e92d59f5fcfe87a5274124"},
 ]
 
 [package.dependencies]
@@ -359,7 +349,6 @@ etils = {version = "*", extras = ["epath"]}
 name = "arrow"
 version = "1.2.3"
 description = "Better dates & times for Python"
-category = "dev"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -374,7 +363,6 @@ python-dateutil = ">=2.7.0"
 name = "ase"
 version = "3.22.1"
 description = "Atomic Simulation Environment"
-category = "main"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -395,7 +383,6 @@ test = ["pytest (>=5.0.0)", "pytest-mock (>=3.3.0)", "pytest-xdist (>=1.30.0)"]
 name = "asttokens"
 version = "2.2.1"
 description = "Annotate AST trees with source code positions"
-category = "dev"
 optional = false
 python-versions = "*"
 files = [
@@ -413,7 +400,6 @@ test = ["astroid", "pytest"]
 name = "astunparse"
 version = "1.6.3"
 description = "An AST unparser for Python"
-category = "main"
 optional = true
 python-versions = "*"
 files = [
@@ -429,7 +415,6 @@ wheel = ">=0.23.0,<1.0"
 name = "async-timeout"
 version = "4.0.2"
 description = "Timeout context manager for asyncio programs"
-category = "main"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -439,14 +424,13 @@ files = [
 
 [[package]]
 name = "asyncssh"
-version = "2.13.1"
+version = "2.13.2"
 description = "AsyncSSH: Asynchronous SSHv2 client and server library"
-category = "main"
 optional = false
 python-versions = ">= 3.6"
 files = [
-    {file = "asyncssh-2.13.1-py3-none-any.whl", hash = "sha256:c90eb5e2b4f9a7cc6e6af01fd844563d722c0d667f8c5f51fe5b3c2a79fa0575"},
-    {file = "asyncssh-2.13.1.tar.gz", hash = "sha256:ebbb83c05c0b45cf230de1ef2f06059e360f9afa5c3ddf60fc92faf7b94ff887"},
+    {file = "asyncssh-2.13.2-py3-none-any.whl", hash = "sha256:c7dfe9085c0659acb2ef0d177fb12421e92a20d52b98ab83eed4a5916a1d60cc"},
+    {file = "asyncssh-2.13.2.tar.gz", hash = "sha256:991e531c4bb7dbec62b754878d96a3246338aac11a28ce3c3e99018fb2f5828c"},
 ]
 
 [package.dependencies]
@@ -464,21 +448,19 @@ pywin32 = ["pywin32 (>=227)"]
 
 [[package]]
 name = "atpublic"
-version = "3.1.1"
+version = "4.0"
 description = "Keep all y'all's __all__'s in sync"
-category = "main"
 optional = false
-python-versions = ">=3.7"
+python-versions = ">=3.8"
 files = [
-    {file = "atpublic-3.1.1-py3-none-any.whl", hash = "sha256:37f714748e77b8a7b34d59b7b485fd452a0d5906be52cb1bd28d29a2bd84f295"},
-    {file = "atpublic-3.1.1.tar.gz", hash = "sha256:3098ee12d0107cc5009d61f4e80e5edcfac4cda2bdaa04644af75827cb121b18"},
+    {file = "atpublic-4.0-py3-none-any.whl", hash = "sha256:80057c55641253b86dcb68b524f82328172371b6547d4c7462a9127fbfbbabfc"},
+    {file = "atpublic-4.0.tar.gz", hash = "sha256:0f40433219e124edf115c6c363808ca6f0e1cfa7d160d86b2fb94793086d1294"},
 ]
 
 [[package]]
 name = "attrs"
 version = "23.1.0"
 description = "Classes Without Boilerplate"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -497,7 +479,6 @@ tests-no-zope = ["cloudpickle", "hypothesis", "mypy (>=1.1.1)", "pympler", "pyte
 name = "babel"
 version = "2.12.1"
 description = "Internationalization utilities"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -509,7 +490,6 @@ files = [
 name = "backcall"
 version = "0.2.0"
 description = "Specifications for callback functions passed in to an API"
-category = "dev"
 optional = false
 python-versions = "*"
 files = [
@@ -521,7 +501,6 @@ files = [
 name = "beautifulsoup4"
 version = "4.12.2"
 description = "Screen-scraping library"
-category = "dev"
 optional = false
 python-versions = ">=3.6.0"
 files = [
@@ -538,49 +517,44 @@ lxml = ["lxml"]
 
 [[package]]
 name = "billiard"
-version = "3.6.4.0"
+version = "4.1.0"
 description = "Python multiprocessing fork with improvements and bugfixes"
-category = "main"
 optional = false
-python-versions = "*"
+python-versions = ">=3.7"
 files = [
-    {file = "billiard-3.6.4.0-py3-none-any.whl", hash = "sha256:87103ea78fa6ab4d5c751c4909bcff74617d985de7fa8b672cf8618afd5a875b"},
-    {file = "billiard-3.6.4.0.tar.gz", hash = "sha256:299de5a8da28a783d51b197d496bef4f1595dd023a93a4f59dde1886ae905547"},
+    {file = "billiard-4.1.0-py3-none-any.whl", hash = "sha256:0f50d6be051c6b2b75bfbc8bfd85af195c5739c281d3f5b86a5640c65563614a"},
+    {file = "billiard-4.1.0.tar.gz", hash = "sha256:1ad2eeae8e28053d729ba3373d34d9d6e210f6e4d8bf0a9c64f92bd053f1edf5"},
 ]
 
 [[package]]
 name = "black"
-version = "23.3.0"
+version = "23.7.0"
 description = "The uncompromising code formatter."
-category = "dev"
 optional = false
-python-versions = ">=3.7"
+python-versions = ">=3.8"
 files = [
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+    {file = "black-23.7.0.tar.gz", hash = "sha256:022a582720b0d9480ed82576c920a8c1dde97cc38ff11d8d8859b3bd6ca9eedb"},
 ]
 
 [package.dependencies]
@@ -601,7 +575,6 @@ uvloop = ["uvloop (>=0.15.2)"]
 name = "bleach"
 version = "6.0.0"
 description = "An easy safelist-based HTML-sanitizing tool."
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -620,7 +593,6 @@ css = ["tinycss2 (>=1.1.0,<1.2)"]
 name = "cached-property"
 version = "1.5.2"
 description = "A decorator for caching properties in classes."
-category = "main"
 optional = true
 python-versions = "*"
 files = [
@@ -630,88 +602,85 @@ files = [
 
 [[package]]
 name = "cachetools"
-version = "5.3.0"
+version = "5.3.1"
 description = "Extensible memoizing collections and decorators"
-category = "main"
 optional = true
-python-versions = "~=3.7"
+python-versions = ">=3.7"
 files = [
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+    {file = "cachetools-5.3.1.tar.gz", hash = "sha256:dce83f2d9b4e1f732a8cd44af8e8fab2dbe46201467fc98b3ef8f269092bf62b"},
 ]
 
 [[package]]
 name = "celery"
-version = "5.2.7"
+version = "5.3.1"
 description = "Distributed Task Queue."
-category = "main"
 optional = false
-python-versions = ">=3.7"
+python-versions = ">=3.8"
 files = [
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 ]
 
 [package.dependencies]
-billiard = ">=3.6.4.0,<4.0"
-click = ">=8.0.3,<9.0"
-click-didyoumean = ">=0.0.3"
+billiard = ">=4.1.0,<5.0"
+click = ">=8.1.2,<9.0"
+click-didyoumean = ">=0.3.0"
 click-plugins = ">=1.1.1"
 click-repl = ">=0.2.0"
-kombu = ">=5.2.3,<6.0"
-pytz = ">=2021.3"
+kombu = ">=5.3.1,<6.0"
+python-dateutil = ">=2.8.2"
+tzdata = ">=2022.7"
 vine = ">=5.0.0,<6.0"
 
 [package.extras]
-arangodb = ["pyArango (>=1.3.2)"]
-auth = ["cryptography"]
-azureblockblob = ["azure-storage-blob (==12.9.0)"]
+arangodb = ["pyArango (>=2.0.1)"]
+auth = ["cryptography (==41.0.1)"]
+azureblockblob = ["azure-storage-blob (>=12.15.0)"]
 brotli = ["brotli (>=1.0.0)", "brotlipy (>=0.7.0)"]
-cassandra = ["cassandra-driver (<3.21.0)"]
-consul = ["python-consul2"]
-cosmosdbsql = ["pydocumentdb (==2.3.2)"]
+cassandra = ["cassandra-driver (>=3.25.0,<4)"]
+consul = ["python-consul2 (==0.1.5)"]
+cosmosdbsql = ["pydocumentdb (==2.3.5)"]
 couchbase = ["couchbase (>=3.0.0)"]
-couchdb = ["pycouchdb"]
-django = ["Django (>=1.11)"]
-dynamodb = ["boto3 (>=1.9.178)"]
-elasticsearch = ["elasticsearch"]
+couchdb = ["pycouchdb (==1.14.2)"]
+django = ["Django (>=2.2.28)"]
+dynamodb = ["boto3 (>=1.26.143)"]
+elasticsearch = ["elasticsearch (<8.0)"]
 eventlet = ["eventlet (>=0.32.0)"]
 gevent = ["gevent (>=1.5.0)"]
-librabbitmq = ["librabbitmq (>=1.5.0)"]
-memcache = ["pylibmc"]
-mongodb = ["pymongo[srv] (>=3.11.1)"]
-msgpack = ["msgpack"]
-pymemcache = ["python-memcached"]
-pyro = ["pyro4"]
-pytest = ["pytest-celery"]
-redis = ["redis (>=3.4.1,!=4.0.0,!=4.0.1)"]
-s3 = ["boto3 (>=1.9.125)"]
+librabbitmq = ["librabbitmq (>=2.0.0)"]
+memcache = ["pylibmc (==1.6.3)"]
+mongodb = ["pymongo[srv] (>=4.0.2)"]
+msgpack = ["msgpack (==1.0.5)"]
+pymemcache = ["python-memcached (==1.59)"]
+pyro = ["pyro4 (==4.82)"]
+pytest = ["pytest-celery (==0.0.0)"]
+redis = ["redis (>=4.5.2,!=4.5.5)"]
+s3 = ["boto3 (>=1.26.143)"]
 slmq = ["softlayer-messaging (>=1.0.3)"]
-solar = ["ephem"]
-sqlalchemy = ["sqlalchemy"]
-sqs = ["kombu[sqs]"]
+solar = ["ephem (==4.1.4)"]
+sqlalchemy = ["sqlalchemy (>=1.4.48,<2.1)"]
+sqs = ["boto3 (>=1.26.143)", "kombu[sqs] (>=5.3.0)", "pycurl (>=7.43.0.5)", "urllib3 (>=1.26.16)"]
 tblib = ["tblib (>=1.3.0)", "tblib (>=1.5.0)"]
 yaml = ["PyYAML (>=3.10)"]
 zookeeper = ["kazoo (>=1.3.1)"]
-zstd = ["zstandard"]
+zstd = ["zstandard (==0.21.0)"]
 
 [[package]]
 name = "certifi"
-version = "2022.12.7"
+version = "2023.7.22"
 description = "Python package for providing Mozilla's CA Bundle."
-category = "main"
 optional = false
 python-versions = ">=3.6"
 files = [
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+    {file = "certifi-2023.7.22.tar.gz", hash = "sha256:539cc1d13202e33ca466e88b2807e29f4c13049d6d87031a3c110744495cb082"},
 ]
 
 [[package]]
 name = "cffi"
 version = "1.15.1"
 description = "Foreign Function Interface for Python calling C code."
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -786,94 +755,110 @@ pycparser = "*"
 
 [[package]]
 name = "charset-normalizer"
-version = "3.1.0"
+version = "3.2.0"
 description = "The Real First Universal Charset Detector. Open, modern and actively maintained alternative to Chardet."
-category = "main"
 optional = false
 python-versions = ">=3.7.0"
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+description = "Read and write computational chemistry files"
+optional = false
+python-versions = "*"
+files = [
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+[package.dependencies]
+numpy = "*"
+
 [[package]]
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 version = "0.1.7"
 description = "Chex: Testing made fun, in JAX!"
-category = "main"
 optional = true
 python-versions = ">=3.8"
 files = [
@@ -892,14 +877,13 @@ typing-extensions = {version = ">=4.2.0", markers = "python_version < \"3.11\""}
 
 [[package]]
 name = "click"
-version = "8.1.3"
+version = "8.1.6"
 description = "Composable command line interface toolkit"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
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 ]
 
 [package.dependencies]
@@ -909,7 +893,6 @@ colorama = {version = "*", markers = "platform_system == \"Windows\""}
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 version = "0.3.0"
 description = "Enables git-like *did-you-mean* feature in click"
-category = "main"
 optional = false
 python-versions = ">=3.6.2,<4.0.0"
 files = [
@@ -924,7 +907,6 @@ click = ">=7"
 name = "click-plugins"
 version = "1.1.1"
 description = "An extension module for click to enable registering CLI commands via setuptools entry-points."
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -940,26 +922,26 @@ dev = ["coveralls", "pytest (>=3.6)", "pytest-cov", "wheel"]
 
 [[package]]
 name = "click-repl"
-version = "0.2.0"
+version = "0.3.0"
 description = "REPL plugin for Click"
-category = "main"
 optional = false
-python-versions = "*"
+python-versions = ">=3.6"
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 ]
 
 [package.dependencies]
-click = "*"
-prompt-toolkit = "*"
-six = "*"
+click = ">=7.0"
+prompt-toolkit = ">=3.0.36"
+
+[package.extras]
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 version = "0.0.7"
 description = "Set of libraries for ML training loops in JAX."
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 optional = true
 python-versions = "*"
 files = [
@@ -988,7 +970,6 @@ test = ["dm-sonnet", "pytest", "torch (>=1.2.0)"]
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 optional = false
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*,!=3.6.*,>=2.7"
 files = [
@@ -1000,7 +981,6 @@ files = [
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 version = "0.1.3"
 description = "Jupyter Python Comm implementation, for usage in ipykernel, xeus-python etc."
-category = "dev"
 optional = false
 python-versions = ">=3.6"
 files = [
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 version = "0.9.1"
 description = "Python parser for the CommonMark Markdown spec"
-category = "main"
 optional = false
 python-versions = "*"
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@@ -1035,7 +1014,6 @@ test = ["flake8 (==3.7.8)", "hypothesis (==3.55.3)"]
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 description = "Config file reading, writing and validation."
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 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
 files = [
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 name = "contextlib2"
 version = "21.6.0"
 description = "Backports and enhancements for the contextlib module"
-category = "main"
 optional = true
 python-versions = ">=3.6"
 files = [
@@ -1060,138 +1037,129 @@ files = [
 
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 python-versions = ">=3.8"
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 [package.dependencies]
 numpy = ">=1.16"
 
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 [package.extras]
@@ -1201,7 +1169,6 @@ toml = ["tomli"]
 name = "cp2k-input-tools"
 version = "0.8.2"
 description = "Python tools to handle CP2K input files"
-category = "main"
 optional = false
 python-versions = ">=3.6.1,<4"
 files = [
@@ -1224,7 +1191,6 @@ yaml = ["ruamel.yaml (>=0.16.5,<0.18.0)"]
 name = "cp2k-output-tools"
 version = "0.5.0"
 description = "Python tools to handle CP2K output files"
-category = "main"
 optional = false
 python-versions = ">=3.6,<4.0"
 files = [
@@ -1242,31 +1208,34 @@ yaml = ["ruamel.yaml (>=0.16.5,<0.18.0)"]
 
 [[package]]
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 description = "cryptography is a package which provides cryptographic recipes and primitives to Python developers."
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 optional = false
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@@ -1275,18 +1244,17 @@ cffi = ">=1.12"
 [package.extras]
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-pep8test = ["black", "check-manifest", "mypy", "ruff"]
-sdist = ["setuptools-rust (>=0.11.4)"]
+nox = ["nox"]
+pep8test = ["black", "check-sdist", "mypy", "ruff"]
+sdist = ["build"]
 ssh = ["bcrypt (>=3.1.5)"]
-test = ["iso8601", "pretend", "pytest (>=6.2.0)", "pytest-benchmark", "pytest-cov", "pytest-shard (>=0.1.2)", "pytest-subtests", "pytest-xdist"]
+test = ["pretend", "pytest (>=6.2.0)", "pytest-benchmark", "pytest-cov", "pytest-xdist"]
 test-randomorder = ["pytest-randomly"]
-tox = ["tox"]
 
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 name = "cycler"
 version = "0.11.0"
 description = "Composable style cycles"
-category = "main"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -1298,7 +1266,6 @@ files = [
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 version = "0.6"
 description = "A backport of the dataclasses module for Python 3.6"
-category = "main"
 optional = true
 python-versions = "*"
 files = [
@@ -1310,7 +1277,6 @@ files = [
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 version = "1.6.7"
 description = "An implementation of the Debug Adapter Protocol for Python"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -1338,7 +1304,6 @@ files = [
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 version = "5.1.1"
 description = "Decorators for Humans"
-category = "dev"
 optional = false
 python-versions = ">=3.5"
 files = [
@@ -1350,7 +1315,6 @@ files = [
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 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
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 version = "0.9.0"
 description = "Dictdiffer is a library that helps you to diff and patch dictionaries."
-category = "main"
 optional = false
 python-versions = "*"
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 name = "diskcache"
 version = "5.6.1"
 description = "Disk Cache -- Disk and file backed persistent cache."
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 python-versions = ">=3"
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 description = "Distro - an OS platform information API"
-category = "main"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -1402,14 +1363,13 @@ files = [
 
 [[package]]
 name = "dm-haiku"
-version = "0.0.9"
+version = "0.0.10"
 description = "Haiku is a library for building neural networks in JAX."
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 python-versions = "*"
 files = [
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 [package.dependencies]
@@ -1419,13 +1379,12 @@ numpy = ">=1.18.0"
 tabulate = ">=0.8.9"
 
 [package.extras]
-jax = ["jax (==0.3.16)", "jaxlib (==0.3.15)"]
+jax = ["jax (>=0.4.13)", "jaxlib (>=0.4.13)"]
 
 [[package]]
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 description = "Tree is a library for working with nested data structures."
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 python-versions = "*"
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 optional = false
 python-versions = ">=3.7"
 files = [
@@ -1484,21 +1442,19 @@ files = [
 
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+version = "2.1.6"
 description = "Filesystem-like pathing and searching for dictionaries"
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 python-versions = ">=3.7"
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 version = "1.2.2"
 description = "A Python package for creating feature transformations in applications of machine learning to materials science."
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 optional = true
 python-versions = ">=3.6"
 files = [
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 ]
 
 [package.dependencies]
@@ -1591,14 +1546,13 @@ pgp = ["gpg"]
 
 [[package]]
 name = "dvc"
-version = "2.55.0"
+version = "3.8.1"
 description = "Git for data scientists - manage your code and data together"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
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+    {file = "dvc-3.8.1-py3-none-any.whl", hash = "sha256:7c6454d9a0ffc0ba7758a50dfbe4af6dcbbd8af5e50164dcf363462097916096"},
+    {file = "dvc-3.8.1.tar.gz", hash = "sha256:1185c7fac30076b1f183bfcc60d9865c4203b78d8ab687d51165e2539c642ecb"},
 ]
 
 [package.dependencies]
@@ -1606,13 +1560,13 @@ colorama = ">=0.3.9"
 configobj = ">=5.0.6"
 distro = ">=1.3"
 dpath = ">=2.1.0,<3"
-dvc-data = ">=0.47.1,<0.48"
+dvc-data = ">=2.6.0,<2.7.0"
 dvc-http = ">=2.29.0"
-dvc-render = ">=0.3.1,<0.4.0"
-dvc-studio-client = ">=0.6.1,<1"
-dvc-task = ">=0.2.0,<1"
+dvc-render = ">=0.3.1,<1"
+dvc-studio-client = ">=0.9.2,<1"
+dvc-task = ">=0.3.0,<1"
 flatten-dict = ">=0.4.1,<1"
-"flufl.lock" = ">=5"
+"flufl.lock" = ">=5,<8"
 funcy = ">=1.14"
 grandalf = ">=0.7,<1"
 hydra-core = ">=1.1"
@@ -1628,7 +1582,7 @@ pyparsing = ">=2.4.7"
 requests = ">=2.22"
 rich = ">=12"
 "ruamel.yaml" = ">=0.17.11"
-scmrepo = ">=1.0.0,<2"
+scmrepo = ">=1.0.4,<2"
 shortuuid = ">=0.5"
 shtab = ">=1.3.4,<2"
 tabulate = ">=0.8.7"
@@ -1639,45 +1593,44 @@ voluptuous = ">=0.11.7"
 
 [package.extras]
 all = ["dvc[azure,gdrive,gs,hdfs,oss,s3,ssh,webdav,webhdfs]"]
-azure = ["dvc-azure (==2.21.1)"]
+azure = ["dvc-azure (>=2.21.2)"]
 dev = ["dvc[azure,gdrive,gs,hdfs,lint,oss,s3,ssh,terraform,tests,webdav,webhdfs]"]
-gdrive = ["dvc-gdrive (==2.19.2)"]
-gs = ["dvc-gs (==2.22.0)"]
+gdrive = ["dvc-gdrive (==2.20)"]
+gs = ["dvc-gs (==2.22.1)"]
 hdfs = ["dvc-hdfs (==2.19)"]
-lint = ["mypy (==1.2.0)", "pylint (==2.17.2)", "types-colorama", "types-psutil", "types-requests", "types-tabulate", "types-toml", "types-tqdm"]
+lint = ["mypy (==1.4.1)", "pylint (==2.17.4)", "types-colorama", "types-psutil", "types-pyinstaller", "types-requests", "types-tabulate", "types-toml", "types-tqdm"]
 oss = ["dvc-oss (==2.19)"]
-s3 = ["dvc-s3 (==2.22.0)"]
+s3 = ["dvc-s3 (==2.23.0)"]
 ssh = ["dvc-ssh (>=2.22.1,<3)"]
 ssh-gssapi = ["dvc-ssh[gssapi] (>=2.22.1,<3)"]
 terraform = ["tpi[ssh] (>=2.1)"]
-testing = ["pytest-test-utils"]
-tests = ["beautifulsoup4 (>=4.4)", "dvc-ssh", "filelock", "flaky", "pytest (>=7,<8)", "pytest-cov", "pytest-docker (>=1,<2)", "pytest-lazy-fixture", "pytest-mock", "pytest-test-utils", "pytest-timeout (>=2)", "pytest-xdist (>=3.2)", "pywin32 (>=225)"]
+testing = ["pytest-benchmark[histogram]", "pytest-test-utils", "pytest-virtualenv"]
+tests = ["beautifulsoup4 (>=4.4)", "dvc-ssh", "dvc[testing]", "filelock", "flaky", "pytest (>=7,<8)", "pytest-cov (>=4.1.0)", "pytest-docker (>=1,<2)", "pytest-lazy-fixture", "pytest-mock", "pytest-test-utils", "pytest-timeout (>=2)", "pytest-xdist (>=3.2)", "pywin32 (>=225)", "tzdata"]
 webdav = ["dvc-webdav (==2.19.1)"]
 webhdfs = ["dvc-webhdfs (==2.19)"]
 webhdfs-kerberos = ["dvc-webhdfs[kerberos] (==2.19)"]
 
 [[package]]
 name = "dvc-data"
-version = "0.47.2"
+version = "2.6.0"
 description = "dvc data"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
-    {file = "dvc-data-0.47.2.tar.gz", hash = "sha256:9951dcde1cd40806936a7621d0c94e0b6265fe4d768e0464695abc87285745c2"},
-    {file = "dvc_data-0.47.2-py3-none-any.whl", hash = "sha256:24331f2a4255fb0bd5c3ced2211149be499dd07cb405afac3570ce753fb70c27"},
+    {file = "dvc-data-2.6.0.tar.gz", hash = "sha256:d0c731a5ddbac576b13c91423dae84877680dd28a94aa0ab06c569b74dd17387"},
+    {file = "dvc_data-2.6.0-py3-none-any.whl", hash = "sha256:e32d1dc25437dc54a80e68dba5f6cb1102b3c9bd5671940ebc8c17510e9e735d"},
 ]
 
 [package.dependencies]
 attrs = ">=21.3.0"
 dictdiffer = ">=0.8.1"
 diskcache = ">=5.2.1"
-dvc-objects = ">=0.21.1,<1"
+dvc-objects = ">=0.23.0,<1"
 funcy = ">=1.14"
 nanotime = ">=0.5.2"
 pygtrie = ">=2.3.2"
 shortuuid = ">=0.5.0"
-sqltrie = ">=0.3.1,<1"
+sqltrie = ">=0.6.0,<1"
 
 [package.extras]
 all = ["rich (>=10.11.0,<14.0.0)", "typer[all] (>=0.6)"]
@@ -1689,7 +1642,6 @@ tests = ["mypy (==0.971)", "pylint (==2.15.0)", "pytest (==7.2.0)", "pytest-benc
 name = "dvc-http"
 version = "2.30.2"
 description = "http plugin for dvc"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -1706,19 +1658,19 @@ tests = ["dvc[testing]", "flaky (==3.7.0)", "mypy (==0.910)", "pylint (==2.15.9)
 
 [[package]]
 name = "dvc-objects"
-version = "0.21.1"
+version = "0.24.0"
 description = "dvc objects"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
-    {file = "dvc-objects-0.21.1.tar.gz", hash = "sha256:d0dcb74b8b9cc46a101af59658ebe325684d6d9c34dd968404a7960e22826097"},
-    {file = "dvc_objects-0.21.1-py3-none-any.whl", hash = "sha256:e7a92714c30dd14bbee9dc678c46b493b5b4b6882856b423870c0ac88f6ecdcd"},
+    {file = "dvc-objects-0.24.0.tar.gz", hash = "sha256:4c58153162b71d2290e13c47de4f4f009c6ed43f1b3e37cfe8a9a76065101e37"},
+    {file = "dvc_objects-0.24.0-py3-none-any.whl", hash = "sha256:8fda8bb68643f3c429c1600e6f218c263a5b020f60d1ff1a56017cfaac5e7be6"},
 ]
 
 [package.dependencies]
 fsspec = ">=2022.10.0"
 funcy = ">=1.14"
+packaging = ">=19"
 shortuuid = ">=0.5.0"
 tqdm = ">=4.63.1,<5"
 typing-extensions = ">=3.7.4"
@@ -1729,33 +1681,31 @@ tests = ["mypy (==0.971)", "pylint (==2.15.0)", "pytest (==7.2.0)", "pytest-cov
 
 [[package]]
 name = "dvc-render"
-version = "0.3.1"
+version = "0.5.3"
 description = "DVC render"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
-    {file = "dvc-render-0.3.1.tar.gz", hash = "sha256:af718d813017db9b2e688576f33a8ce27398949620340894afae4f1023f0e07a"},
-    {file = "dvc_render-0.3.1-py3-none-any.whl", hash = "sha256:98667e4290bab07bb9c404e796a212d41408d70e8094ed9b73166176788de944"},
+    {file = "dvc-render-0.5.3.tar.gz", hash = "sha256:009dc09db44e416285c719324d8e101f675a58d7d846822a9faef307df22c7f2"},
+    {file = "dvc_render-0.5.3-py3-none-any.whl", hash = "sha256:562c2d08fe12a57ab03eba766702fd5ca75fb28a3560d5fc31f75e9850a6b515"},
 ]
 
 [package.extras]
-dev = ["funcy (>=1.17)", "matplotlib", "mkdocs (==1.3.1)", "mkdocs-gen-files (==0.3.5)", "mkdocs-material (==8.4.1)", "mkdocs-section-index (==0.3.4)", "mkdocstrings-python (==0.7.1)", "mypy (==0.981)", "pylint (==2.15.0)", "pytest (==7.2.0)", "pytest-cov (==3.0.0)", "pytest-mock (==3.8.2)", "pytest-sugar (==0.9.5)", "pytest-test-utils (>=0.0.6)", "tabulate (>=0.8.7)"]
+dev = ["flatten-dict (>=0.4.1,<1)", "funcy (>=1.17)", "matplotlib", "mkdocs (==1.3.1)", "mkdocs-gen-files (==0.3.5)", "mkdocs-material (==8.4.1)", "mkdocs-section-index (==0.3.4)", "mkdocstrings-python (==0.7.1)", "mypy (==0.981)", "pylint (==2.15.0)", "pytest (==7.2.0)", "pytest-cov (==3.0.0)", "pytest-mock (==3.8.2)", "pytest-sugar (>=0.9.6,<1.0)", "pytest-test-utils (>=0.0.6)", "tabulate (>=0.8.7)"]
 docs = ["mkdocs (==1.3.1)", "mkdocs-gen-files (==0.3.5)", "mkdocs-material (==8.4.1)", "mkdocs-section-index (==0.3.4)", "mkdocstrings-python (==0.7.1)"]
-markdown = ["matplotlib", "tabulate (>=0.8.7)"]
-table = ["tabulate (>=0.8.7)"]
-tests = ["funcy (>=1.17)", "matplotlib", "mypy (==0.981)", "pylint (==2.15.0)", "pytest (==7.2.0)", "pytest-cov (==3.0.0)", "pytest-mock (==3.8.2)", "pytest-sugar (==0.9.5)", "pytest-test-utils (>=0.0.6)", "tabulate (>=0.8.7)"]
+markdown = ["flatten-dict (>=0.4.1,<1)", "matplotlib", "tabulate (>=0.8.7)"]
+table = ["flatten-dict (>=0.4.1,<1)", "tabulate (>=0.8.7)"]
+tests = ["flatten-dict (>=0.4.1,<1)", "funcy (>=1.17)", "matplotlib", "mypy (==0.981)", "pylint (==2.15.0)", "pytest (==7.2.0)", "pytest-cov (==3.0.0)", "pytest-mock (==3.8.2)", "pytest-sugar (>=0.9.6,<1.0)", "pytest-test-utils (>=0.0.6)", "tabulate (>=0.8.7)"]
 
 [[package]]
 name = "dvc-studio-client"
-version = "0.8.0"
+version = "0.11.0"
 description = "Small library to post data from DVC/DVCLive to Iterative Studio"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
-    {file = "dvc-studio-client-0.8.0.tar.gz", hash = "sha256:110097f39970bbb8f14f9c26e730d8d1fa3d5c3928d6ec6ccdadd86769049f4c"},
-    {file = "dvc_studio_client-0.8.0-py3-none-any.whl", hash = "sha256:a7f709f45c8f06d57772dcd2f8caece0fc4a8a5d665e79fee482bb10b2d84ca2"},
+    {file = "dvc-studio-client-0.11.0.tar.gz", hash = "sha256:9179acc39bb9acfb54a5369142c835dc2428bd285e41281b005739ce63d9d55b"},
+    {file = "dvc_studio_client-0.11.0-py3-none-any.whl", hash = "sha256:2832fe0bdf723dbe51320abcde238bd0a1e1a3befa15c1f05cc9ed2ca25fb39f"},
 ]
 
 [package.dependencies]
@@ -1770,33 +1720,31 @@ tests = ["pytest (==7.2.0)", "pytest-cov (==3.0.0)", "pytest-mock (==3.8.2)", "p
 
 [[package]]
 name = "dvc-task"
-version = "0.2.0"
+version = "0.3.0"
 description = "Extensible task queue used in DVC."
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
-    {file = "dvc-task-0.2.0.tar.gz", hash = "sha256:6c44a22e5c0c4054b34181c517db13fef23678c96d4ebbcfb8ddfffb2404999c"},
-    {file = "dvc_task-0.2.0-py3-none-any.whl", hash = "sha256:af3bbdbb1fe2f88fb091c7405d1f71897f7f8bb6736b9ba3752fb039b3e56448"},
+    {file = "dvc-task-0.3.0.tar.gz", hash = "sha256:6ab288bfbbc4a2df8ef145c543bb979d6cb8fb49037fec821a59ad6e1dfdddce"},
+    {file = "dvc_task-0.3.0-py3-none-any.whl", hash = "sha256:637908e3a54670cb09924dd96161e025399c426fc3cb2e3b9b8a030d7cfcfbcd"},
 ]
 
 [package.dependencies]
-celery = ">=5.2.0,<6"
+celery = ">=5.3.0,<6"
 funcy = ">=1.17"
-kombu = ">=5.2.0,<6"
+kombu = ">=5.3.0,<6"
 pywin32 = {version = ">=225", markers = "sys_platform == \"win32\""}
 shortuuid = ">=1.0.8"
 
 [package.extras]
-dev = ["celery-types (>=0.11.0)", "flaky (==3.7.0)", "mkdocs (==1.3.1)", "mkdocs-gen-files (==0.3.5)", "mkdocs-material (==8.4.1)", "mkdocs-section-index (==0.3.4)", "mkdocstrings-python (==0.7.1)", "mypy (==0.971)", "pylint (==2.15.0)", "pytest (==7.2.0)", "pytest-celery", "pytest-cov (==3.0.0)", "pytest-mock (==3.8.2)", "pytest-sugar (==0.9.5)", "pytest-test-utils (>=0.0.6)"]
+dev = ["celery-types (==0.15.0)", "flaky (==3.7.0)", "mkdocs (==1.3.1)", "mkdocs-gen-files (==0.3.5)", "mkdocs-material (==8.4.1)", "mkdocs-section-index (==0.3.4)", "mkdocstrings-python (==0.7.1)", "mypy (==0.971)", "pylint (==2.15.0)", "pytest (==7.2.0)", "pytest-celery", "pytest-cov (==3.0.0)", "pytest-mock (==3.8.2)", "pytest-sugar (==0.9.6)", "pytest-test-utils (>=0.0.6)"]
 docs = ["mkdocs (==1.3.1)", "mkdocs-gen-files (==0.3.5)", "mkdocs-material (==8.4.1)", "mkdocs-section-index (==0.3.4)", "mkdocstrings-python (==0.7.1)"]
-tests = ["celery-types (>=0.11.0)", "flaky (==3.7.0)", "mypy (==0.971)", "pylint (==2.15.0)", "pytest (==7.2.0)", "pytest-celery", "pytest-cov (==3.0.0)", "pytest-mock (==3.8.2)", "pytest-sugar (==0.9.5)", "pytest-test-utils (>=0.0.6)"]
+tests = ["celery-types (==0.15.0)", "flaky (==3.7.0)", "mypy (==0.971)", "pylint (==2.15.0)", "pytest (==7.2.0)", "pytest-celery", "pytest-cov (==3.0.0)", "pytest-mock (==3.8.2)", "pytest-sugar (==0.9.6)", "pytest-test-utils (>=0.0.6)"]
 
 [[package]]
 name = "e3nn"
 version = "0.4.4"
 description = "Equivariant convolutional neural networks for the group E(3) of 3 dimensional rotations, translations, and mirrors."
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -1815,17 +1763,17 @@ dev = ["pre-commit", "pytest"]
 
 [[package]]
 name = "e3nn-jax"
-version = "0.17.3"
+version = "0.19.1"
 description = "Equivariant convolutional neural networks for the group E(3) of 3 dimensional rotations, translations, and mirrors."
-category = "main"
 optional = true
 python-versions = ">=3.7"
 files = [
-    {file = "e3nn_jax-0.17.3-py3-none-any.whl", hash = "sha256:5357580eb614ffb9d9dd1550ebfcc44b1064f59c48ed61f70f2c7bc8ff4d0982"},
-    {file = "e3nn_jax-0.17.3.tar.gz", hash = "sha256:26a02570ac84c7707eeb793d2c674a2d083f7c3ac68c2a8cba109590a78a0978"},
+    {file = "e3nn_jax-0.19.1-py3-none-any.whl", hash = "sha256:676ad6e7c1fe67c365342e3455c62593415818732922b1adf7173d4842bfb0da"},
+    {file = "e3nn_jax-0.19.1.tar.gz", hash = "sha256:16f34b2a09aec355eeb67186281681f848860854aa78c3e9e7778f991a1650c7"},
 ]
 
 [package.dependencies]
+attrs = "*"
 dm-haiku = "*"
 flax = "*"
 jax = "*"
@@ -1838,7 +1786,6 @@ tqdm = "*"
 name = "einops"
 version = "0.6.1"
 description = "A new flavour of deep learning operations"
-category = "main"
 optional = true
 python-versions = ">=3.7"
 files = [
@@ -1848,14 +1795,13 @@ files = [
 
 [[package]]
 name = "etils"
-version = "1.2.0"
+version = "1.4.0"
 description = "Collection of common python utils"
-category = "main"
 optional = true
-python-versions = ">=3.8"
+python-versions = ">=3.9"
 files = [
-    {file = "etils-1.2.0-py3-none-any.whl", hash = "sha256:c6585069b387fdbeed6a2c571b8bcf312ecdb577c95065461e5fad9ed1973989"},
-    {file = "etils-1.2.0.tar.gz", hash = "sha256:29d369e2dcf43960d9ee338330579d04badd606c88f015f4e1a38d3adbe446d8"},
+    {file = "etils-1.4.0-py3-none-any.whl", hash = "sha256:fd20131e1b134d3ed2d3297e25034b8c796761676b770b4cb5a44f26c73d3edf"},
+    {file = "etils-1.4.0.tar.gz", hash = "sha256:81fa2245a2029d4ffb2303fa9a6444e6980333cec09ac81a934199b93b042eef"},
 ]
 
 [package.dependencies]
@@ -1867,10 +1813,11 @@ zipp = {version = "*", optional = true, markers = "extra == \"epath\""}
 [package.extras]
 all = ["etils[array-types]", "etils[eapp]", "etils[ecolab]", "etils[edc]", "etils[enp]", "etils[epath]", "etils[epy]", "etils[etqdm]", "etils[etree-dm]", "etils[etree-jax]", "etils[etree-tf]", "etils[etree]"]
 array-types = ["etils[enp]"]
-dev = ["chex", "optree", "pyink", "pylint (>=2.6.0)", "pytest", "pytest-subtests", "pytest-xdist", "torch"]
+dev = ["chex", "dataclass_array", "optree", "pyink", "pylint (>=2.6.0)", "pytest", "pytest-subtests", "pytest-xdist", "torch"]
+docs = ["etils[all,dev]", "sphinx-apitree[ext]"]
 eapp = ["absl-py", "etils[epy]", "simple_parsing"]
 ecolab = ["etils[enp]", "etils[epy]", "jupyter", "mediapy", "numpy"]
-edc = ["etils[epy]", "typing_extensions"]
+edc = ["etils[epy]"]
 enp = ["etils[epy]", "numpy"]
 epath = ["etils[epy]", "importlib_resources", "typing_extensions", "zipp"]
 epy = ["typing_extensions"]
@@ -1883,14 +1830,13 @@ lazy-imports = ["etils[ecolab]"]
 
 [[package]]
 name = "exceptiongroup"
-version = "1.1.1"
+version = "1.1.2"
 description = "Backport of PEP 654 (exception groups)"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "exceptiongroup-1.1.1-py3-none-any.whl", hash = "sha256:232c37c63e4f682982c8b6459f33a8981039e5fb8756b2074364e5055c498c9e"},
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+    {file = "exceptiongroup-1.1.2-py3-none-any.whl", hash = "sha256:e346e69d186172ca7cf029c8c1d16235aa0e04035e5750b4b95039e65204328f"},
+    {file = "exceptiongroup-1.1.2.tar.gz", hash = "sha256:12c3e887d6485d16943a309616de20ae5582633e0a2eda17f4e10fd61c1e8af5"},
 ]
 
 [package.extras]
@@ -1900,7 +1846,6 @@ test = ["pytest (>=6)"]
 name = "executing"
 version = "1.2.0"
 description = "Get the currently executing AST node of a frame, and other information"
-category = "dev"
 optional = false
 python-versions = "*"
 files = [
@@ -1913,40 +1858,34 @@ tests = ["asttokens", "littleutils", "pytest", "rich"]
 
 [[package]]
 name = "f90wrap"
-version = "0.2.12"
+version = "0.2.13"
 description = "Fortran to Python interface generator with derived type support"
-category = "main"
 optional = true
 python-versions = "*"
 files = [
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+    {file = "f90wrap-0.2.13-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:4693f21a76d89570292f633680ecb6e6d5323dd25b032857b765791fc191d84b"},
+    {file = "f90wrap-0.2.13-cp39-cp39-win_amd64.whl", hash = "sha256:863a626c5fb36f0f4f7432c6a1cf99cea5c91fdf0dbdba1646e911f4753ec95e"},
+    {file = "f90wrap-0.2.13.tar.gz", hash = "sha256:a61b73bb1cf028db54ad4b0c48627080d88e14463803dd55713c70f3e88b911e"},
 ]
 
 [package.dependencies]
-numpy = ">=1.13,<1.24"
+numpy = ">=1.13"
 
 [[package]]
 name = "fastjsonschema"
-version = "2.16.3"
+version = "2.18.0"
 description = "Fastest Python implementation of JSON schema"
-category = "dev"
 optional = false
 python-versions = "*"
 files = [
-    {file = "fastjsonschema-2.16.3-py3-none-any.whl", hash = "sha256:04fbecc94300436f628517b05741b7ea009506ce8f946d40996567c669318490"},
-    {file = "fastjsonschema-2.16.3.tar.gz", hash = "sha256:4a30d6315a68c253cfa8f963b9697246315aa3db89f98b97235e345dedfb0b8e"},
+    {file = "fastjsonschema-2.18.0-py3-none-any.whl", hash = "sha256:128039912a11a807068a7c87d0da36660afbfd7202780db26c4aa7153cfdc799"},
+    {file = "fastjsonschema-2.18.0.tar.gz", hash = "sha256:e820349dd16f806e4bd1467a138dced9def4bc7d6213a34295272a6cac95b5bd"},
 ]
 
 [package.extras]
@@ -1954,37 +1893,34 @@ devel = ["colorama", "json-spec", "jsonschema", "pylint", "pytest", "pytest-benc
 
 [[package]]
 name = "filelock"
-version = "3.12.0"
+version = "3.12.2"
 description = "A platform independent file lock."
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "filelock-3.12.0-py3-none-any.whl", hash = "sha256:ad98852315c2ab702aeb628412cbf7e95b7ce8c3bf9565670b4eaecf1db370a9"},
-    {file = "filelock-3.12.0.tar.gz", hash = "sha256:fc03ae43288c013d2ea83c8597001b1129db351aad9c57fe2409327916b8e718"},
+    {file = "filelock-3.12.2-py3-none-any.whl", hash = "sha256:cbb791cdea2a72f23da6ac5b5269ab0a0d161e9ef0100e653b69049a7706d1ec"},
+    {file = "filelock-3.12.2.tar.gz", hash = "sha256:002740518d8aa59a26b0c76e10fb8c6e15eae825d34b6fdf670333fd7b938d81"},
 ]
 
 [package.extras]
-docs = ["furo (>=2023.3.27)", "sphinx (>=6.1.3)", "sphinx-autodoc-typehints (>=1.23,!=1.23.4)"]
-testing = ["covdefaults (>=2.3)", "coverage (>=7.2.3)", "diff-cover (>=7.5)", "pytest (>=7.3.1)", "pytest-cov (>=4)", "pytest-mock (>=3.10)", "pytest-timeout (>=2.1)"]
+docs = ["furo (>=2023.5.20)", "sphinx (>=7.0.1)", "sphinx-autodoc-typehints (>=1.23,!=1.23.4)"]
+testing = ["covdefaults (>=2.3)", "coverage (>=7.2.7)", "diff-cover (>=7.5)", "pytest (>=7.3.1)", "pytest-cov (>=4.1)", "pytest-mock (>=3.10)", "pytest-timeout (>=2.1)"]
 
 [[package]]
 name = "flatbuffers"
-version = "23.3.3"
+version = "23.5.26"
 description = "The FlatBuffers serialization format for Python"
-category = "main"
 optional = true
 python-versions = "*"
 files = [
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 description = "A flexible utility for flattening and unflattening dict-like objects in Python."
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 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
 files = [
@@ -1997,14 +1933,13 @@ six = ">=1.12,<2.0"
 
 [[package]]
 name = "flax"
-version = "0.6.9"
+version = "0.7.0"
 description = "Flax: A neural network library for JAX designed for flexibility"
-category = "main"
 optional = true
 python-versions = "*"
 files = [
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 ]
 
 [package.dependencies]
@@ -2020,13 +1955,12 @@ typing-extensions = ">=4.1.1"
 
 [package.extras]
 all = ["matplotlib"]
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+testing = ["clu", "einops", "gymnasium[accept-rom-license,atari]", "jaxlib", "jraph (>=0.0.6dev0)", "ml-collections", "mypy", "nbstripout", "opencv-python", "pytest", "pytest-cov", "pytest-custom-exit-code", "pytest-xdist (==1.34.0)", "pytype", "sentencepiece", "tensorflow", "tensorflow-datasets", "tensorflow-text (>=2.11.0)", "torch"]
 
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 version = "7.1.1"
 description = "NFS-safe file locking with timeouts for POSIX and Windows"
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 optional = false
 python-versions = ">=3.7"
 files = [
@@ -2040,14 +1974,45 @@ psutil = ">=5.9.0"
 
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+version = "4.41.1"
 description = "Tools to manipulate font files"
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 python-versions = ">=3.8"
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 ]
 
 [package.extras]
@@ -2068,7 +2033,6 @@ woff = ["brotli (>=1.0.1)", "brotlicffi (>=0.8.0)", "zopfli (>=0.1.4)"]
 name = "fqdn"
 version = "1.5.1"
 description = "Validates fully-qualified domain names against RFC 1123, so that they are acceptable to modern bowsers"
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 optional = false
 python-versions = ">=2.7, !=3.0, !=3.1, !=3.2, !=3.3, !=3.4, <4"
 files = [
@@ -2078,98 +2042,83 @@ files = [
 
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 optional = false
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 ]
 
 [[package]]
 name = "fsspec"
-version = "2023.4.0"
+version = "2023.6.0"
 description = "File-system specification"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
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 ]
 
 [package.dependencies]
@@ -2204,7 +2153,6 @@ tqdm = ["tqdm"]
 name = "funcy"
 version = "2.0"
 description = "A fancy and practical functional tools"
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -2216,7 +2164,6 @@ files = [
 name = "gast"
 version = "0.4.0"
 description = "Python AST that abstracts the underlying Python version"
-category = "main"
 optional = true
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
 files = [
@@ -2228,7 +2175,6 @@ files = [
 name = "gitdb"
 version = "4.0.10"
 description = "Git Object Database"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -2241,14 +2187,13 @@ smmap = ">=3.0.1,<6"
 
 [[package]]
 name = "gitpython"
-version = "3.1.31"
+version = "3.1.32"
 description = "GitPython is a Python library used to interact with Git repositories"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
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 ]
 
 [package.dependencies]
@@ -2256,34 +2201,33 @@ gitdb = ">=4.0.1,<5"
 
 [[package]]
 name = "google-auth"
-version = "2.17.3"
+version = "2.22.0"
 description = "Google Authentication Library"
-category = "main"
 optional = true
-python-versions = ">=2.7,!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*"
+python-versions = ">=3.6"
 files = [
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 ]
 
 [package.dependencies]
 cachetools = ">=2.0.0,<6.0"
 pyasn1-modules = ">=0.2.1"
-rsa = {version = ">=3.1.4,<5", markers = "python_version >= \"3.6\""}
+rsa = ">=3.1.4,<5"
 six = ">=1.9.0"
+urllib3 = "<2.0"
 
 [package.extras]
-aiohttp = ["aiohttp (>=3.6.2,<4.0.0dev)", "requests (>=2.20.0,<3.0.0dev)"]
+aiohttp = ["aiohttp (>=3.6.2,<4.0.0.dev0)", "requests (>=2.20.0,<3.0.0.dev0)"]
 enterprise-cert = ["cryptography (==36.0.2)", "pyopenssl (==22.0.0)"]
 pyopenssl = ["cryptography (>=38.0.3)", "pyopenssl (>=20.0.0)"]
 reauth = ["pyu2f (>=0.1.5)"]
-requests = ["requests (>=2.20.0,<3.0.0dev)"]
+requests = ["requests (>=2.20.0,<3.0.0.dev0)"]
 
 [[package]]
 name = "google-auth-oauthlib"
 version = "1.0.0"
 description = "Google Authentication Library"
-category = "main"
 optional = true
 python-versions = ">=3.6"
 files = [
@@ -2302,7 +2246,6 @@ tool = ["click (>=6.0.0)"]
 name = "google-pasta"
 version = "0.2.0"
 description = "pasta is an AST-based Python refactoring library"
-category = "main"
 optional = true
 python-versions = "*"
 files = [
@@ -2316,27 +2259,25 @@ six = "*"
 
 [[package]]
 name = "googleapis-common-protos"
-version = "1.59.0"
+version = "1.59.1"
 description = "Common protobufs used in Google APIs"
-category = "main"
 optional = true
 python-versions = ">=3.7"
 files = [
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 ]
 
 [package.dependencies]
-protobuf = ">=3.19.5,<3.20.0 || >3.20.0,<3.20.1 || >3.20.1,<4.21.1 || >4.21.1,<4.21.2 || >4.21.2,<4.21.3 || >4.21.3,<4.21.4 || >4.21.4,<4.21.5 || >4.21.5,<5.0.0dev"
+protobuf = ">=3.19.5,<3.20.0 || >3.20.0,<3.20.1 || >3.20.1,<4.21.1 || >4.21.1,<4.21.2 || >4.21.2,<4.21.3 || >4.21.3,<4.21.4 || >4.21.4,<4.21.5 || >4.21.5,<5.0.0.dev0"
 
 [package.extras]
-grpc = ["grpcio (>=1.44.0,<2.0.0dev)"]
+grpc = ["grpcio (>=1.44.0,<2.0.0.dev0)"]
 
 [[package]]
 name = "grandalf"
 version = "0.8"
 description = "Graph and drawing algorithms framework"
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -2352,105 +2293,98 @@ full = ["numpy", "ply"]
 
 [[package]]
 name = "grpcio"
-version = "1.54.0"
+version = "1.56.2"
 description = "HTTP/2-based RPC framework"
-category = "main"
 optional = true
 python-versions = ">=3.7"
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-
-[package.extras]
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 version = "1.3.2"
 description = "A framework for elegantly configuring complex applications"
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 optional = false
 python-versions = "*"
 files = [
@@ -2459,7 +2393,7 @@ files = [
 ]
 
 [package.dependencies]
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 omegaconf = ">=2.2,<2.4"
 packaging = "*"
 
@@ -2467,7 +2401,6 @@ packaging = "*"
 name = "idna"
 version = "3.4"
 description = "Internationalized Domain Names in Applications (IDNA)"
-category = "main"
 optional = false
 python-versions = ">=3.5"
 files = [
@@ -2477,14 +2410,13 @@ files = [
 
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 python-versions = ">=3.7"
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 [package.dependencies]
@@ -2509,25 +2441,23 @@ tifffile = ["tifffile"]
 
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+    {file = "importlib_resources-6.0.0.tar.gz", hash = "sha256:4cf94875a8368bd89531a756df9a9ebe1f150e0f885030b461237bc7f2d905f2"},
 ]
 
 [package.extras]
-docs = ["furo", "jaraco.packaging (>=9)", "jaraco.tidelift (>=1.4)", "rst.linker (>=1.9)", "sphinx (>=3.5)", "sphinx-lint"]
-testing = ["flake8 (<5)", "pytest (>=6)", "pytest-black (>=0.3.7)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=1.3)", "pytest-flake8", "pytest-mypy (>=0.9.1)"]
+docs = ["furo", "jaraco.packaging (>=9.3)", "jaraco.tidelift (>=1.4)", "rst.linker (>=1.9)", "sphinx (>=3.5)", "sphinx-lint"]
+testing = ["pytest (>=6)", "pytest-black (>=0.3.7)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=2.2)", "pytest-mypy (>=0.9.1)", "pytest-ruff"]
 
 [[package]]
 name = "iniconfig"
 version = "2.0.0"
 description = "brain-dead simple config-ini parsing"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -2537,14 +2467,13 @@ files = [
 
 [[package]]
 name = "ipykernel"
-version = "6.22.0"
+version = "6.25.0"
 description = "IPython Kernel for Jupyter"
-category = "dev"
 optional = false
 python-versions = ">=3.8"
 files = [
-    {file = "ipykernel-6.22.0-py3-none-any.whl", hash = "sha256:1ae6047c1277508933078163721bbb479c3e7292778a04b4bacf0874550977d6"},
-    {file = "ipykernel-6.22.0.tar.gz", hash = "sha256:302558b81f1bc22dc259fb2a0c5c7cf2f4c0bdb21b50484348f7bafe7fb71421"},
+    {file = "ipykernel-6.25.0-py3-none-any.whl", hash = "sha256:f0042e867ac3f6bca1679e6a88cbd6a58ed93a44f9d0866aecde6efe8de76659"},
+    {file = "ipykernel-6.25.0.tar.gz", hash = "sha256:e342ce84712861be4b248c4a73472be4702c1b0dd77448bfd6bcfb3af9d5ddf9"},
 ]
 
 [package.dependencies]
@@ -2553,7 +2482,7 @@ comm = ">=0.1.1"
 debugpy = ">=1.6.5"
 ipython = ">=7.23.1"
 jupyter-client = ">=6.1.12"
-jupyter-core = ">=4.12,<5.0.0 || >=5.1.0"
+jupyter-core = ">=4.12,<5.0.dev0 || >=5.1.dev0"
 matplotlib-inline = ">=0.1"
 nest-asyncio = "*"
 packaging = "*"
@@ -2571,14 +2500,13 @@ test = ["flaky", "ipyparallel", "pre-commit", "pytest (>=7.0)", "pytest-asyncio"
 
 [[package]]
 name = "ipython"
-version = "8.12.0"
+version = "8.14.0"
 description = "IPython: Productive Interactive Computing"
-category = "dev"
 optional = false
-python-versions = ">=3.8"
+python-versions = ">=3.9"
 files = [
-    {file = "ipython-8.12.0-py3-none-any.whl", hash = "sha256:1c183bf61b148b00bcebfa5d9b39312733ae97f6dad90d7e9b4d86c8647f498c"},
-    {file = "ipython-8.12.0.tar.gz", hash = "sha256:a950236df04ad75b5bc7f816f9af3d74dc118fd42f2ff7e80e8e60ca1f182e2d"},
+    {file = "ipython-8.14.0-py3-none-any.whl", hash = "sha256:248aca623f5c99a6635bc3857677b7320b9b8039f99f070ee0d20a5ca5a8e6bf"},
+    {file = "ipython-8.14.0.tar.gz", hash = "sha256:1d197b907b6ba441b692c48cf2a3a2de280dc0ac91a3405b39349a50272ca0a1"},
 ]
 
 [package.dependencies]
@@ -2612,7 +2540,6 @@ test-extra = ["curio", "matplotlib (!=3.2.0)", "nbformat", "numpy (>=1.21)", "pa
 name = "ipython-genutils"
 version = "0.2.0"
 description = "Vestigial utilities from IPython"
-category = "dev"
 optional = false
 python-versions = "*"
 files = [
@@ -2622,14 +2549,13 @@ files = [
 
 [[package]]
 name = "ipywidgets"
-version = "8.0.6"
+version = "8.0.7"
 description = "Jupyter interactive widgets"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "ipywidgets-8.0.6-py3-none-any.whl", hash = "sha256:a60bf8d2528997e05ac83fd19ea2fbe65f2e79fbe1b2b35779bdfc46c2941dcc"},
-    {file = "ipywidgets-8.0.6.tar.gz", hash = "sha256:de7d779f2045d60de9f6c25f653fdae2dba57898e6a1284494b3ba20b6893bb8"},
+    {file = "ipywidgets-8.0.7-py3-none-any.whl", hash = "sha256:e0aed0c95a1e55b6a123f64305245578bdc09e52965a34941c2b6a578b8c64a0"},
+    {file = "ipywidgets-8.0.7.tar.gz", hash = "sha256:50ace0a8886e9a0d68b980db82f94c25d55d21ff2340ed36f802dd9365e94acf"},
 ]
 
 [package.dependencies]
@@ -2646,7 +2572,6 @@ test = ["ipykernel", "jsonschema", "pytest (>=3.6.0)", "pytest-cov", "pytz"]
 name = "isoduration"
 version = "20.11.0"
 description = "Operations with ISO 8601 durations"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -2661,7 +2586,6 @@ arrow = ">=0.15.0"
 name = "iterative-telemetry"
 version = "0.0.8"
 description = "Common library for sending telemetry"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -2681,45 +2605,42 @@ tests = ["mypy (==0.971)", "pylint (==2.15.0)", "pytest (==7.2.0)", "pytest-cov
 
 [[package]]
 name = "jax"
-version = "0.4.8"
+version = "0.4.13"
 description = "Differentiate, compile, and transform Numpy code."
-category = "main"
 optional = true
 python-versions = ">=3.8"
 files = [
-    {file = "jax-0.4.8.tar.gz", hash = "sha256:08116481f7336db16c24812bfb5e6f9786915f4c2f6ff4028331fa69e7535202"},
+    {file = "jax-0.4.13.tar.gz", hash = "sha256:03bfe6749dfe647f16f15f6616638adae6c4a7ca7167c75c21961ecfd3a3baaa"},
 ]
 
 [package.dependencies]
-ml_dtypes = ">=0.0.3"
+ml_dtypes = ">=0.1.0"
 numpy = ">=1.21"
 opt_einsum = "*"
 scipy = ">=1.7"
 
 [package.extras]
 australis = ["protobuf (>=3.13,<4)"]
-ci = ["jaxlib (==0.4.7)"]
-cpu = ["jaxlib (==0.4.7)"]
-cuda = ["jaxlib (==0.4.7+cuda11.cudnn86)"]
-cuda11-cudnn82 = ["jaxlib (==0.4.7+cuda11.cudnn82)"]
-cuda11-cudnn86 = ["jaxlib (==0.4.7+cuda11.cudnn86)"]
-cuda11-local = ["jaxlib (==0.4.7+cuda11.cudnn86)"]
-cuda11-pip = ["jaxlib (==0.4.7+cuda11.cudnn86)", "nvidia-cublas-cu11 (>=11.11)", "nvidia-cuda-nvcc-cu11 (>=11.8)", "nvidia-cuda-runtime-cu11 (>=11.8)", "nvidia-cudnn-cu11 (>=8.6)", "nvidia-cufft-cu11 (>=10.9)", "nvidia-cusolver-cu11 (>=11.4)", "nvidia-cusparse-cu11 (>=11.7)"]
-cuda12-local = ["jaxlib (==0.4.7+cuda12.cudnn88)"]
-cuda12-pip = ["jaxlib (==0.4.7+cuda12.cudnn88)", "nvidia-cublas-cu12", "nvidia-cuda-nvcc-cu12", "nvidia-cuda-runtime-cu12", "nvidia-cudnn-cu12", "nvidia-cufft-cu12", "nvidia-cusolver-cu12", "nvidia-cusparse-cu12"]
-minimum-jaxlib = ["jaxlib (==0.4.7)"]
-tpu = ["jaxlib (==0.4.7)", "libtpu-nightly (==0.1.dev20230327)", "requests"]
+ci = ["jaxlib (==0.4.12)"]
+cpu = ["jaxlib (==0.4.13)"]
+cuda = ["jaxlib (==0.4.13+cuda11.cudnn86)"]
+cuda11-cudnn86 = ["jaxlib (==0.4.13+cuda11.cudnn86)"]
+cuda11-local = ["jaxlib (==0.4.13+cuda11.cudnn86)"]
+cuda11-pip = ["jaxlib (==0.4.13+cuda11.cudnn86)", "nvidia-cublas-cu11 (>=11.11)", "nvidia-cuda-cupti-cu11 (>=11.8)", "nvidia-cuda-nvcc-cu11 (>=11.8)", "nvidia-cuda-runtime-cu11 (>=11.8)", "nvidia-cudnn-cu11 (>=8.8)", "nvidia-cufft-cu11 (>=10.9)", "nvidia-cusolver-cu11 (>=11.4)", "nvidia-cusparse-cu11 (>=11.7)"]
+cuda12-local = ["jaxlib (==0.4.13+cuda12.cudnn89)"]
+cuda12-pip = ["jaxlib (==0.4.13+cuda12.cudnn89)", "nvidia-cublas-cu12", "nvidia-cuda-cupti-cu12", "nvidia-cuda-nvcc-cu12", "nvidia-cuda-runtime-cu12", "nvidia-cudnn-cu12 (>=8.9)", "nvidia-cufft-cu12", "nvidia-cusolver-cu12", "nvidia-cusparse-cu12"]
+minimum-jaxlib = ["jaxlib (==0.4.11)"]
+tpu = ["jaxlib (==0.4.13)", "libtpu-nightly (==0.1.dev20230622)"]
 
 [[package]]
 name = "jax-md"
-version = "0.2.5"
+version = "0.2.7"
 description = "Differentiable, Hardware Accelerated, Molecular Dynamics"
-category = "main"
 optional = true
 python-versions = ">=2.7"
 files = [
-    {file = "jax-md-0.2.5.tar.gz", hash = "sha256:2db242236ea7a1d1f2529c754c6106fc146e9beb7864983aaf695b345c9fa3e9"},
-    {file = "jax_md-0.2.5-py2.py3-none-any.whl", hash = "sha256:8a8b717ae775e2e301aa4b5e0986a4faf1c3dba0de9b04bd29385c7bb655cc19"},
+    {file = "jax-md-0.2.7.tar.gz", hash = "sha256:b998fa1057f5bd72f6b827795bb0de0a1dbf65eb15d6d8da94f45047a3f91289"},
+    {file = "jax_md-0.2.7-py3-none-any.whl", hash = "sha256:75f7d20f8996191ea510d5e0884ced79f9532ed96eb2582247e18c9268b96a4b"},
 ]
 
 [package.dependencies]
@@ -2738,41 +2659,46 @@ optax = "*"
 
 [[package]]
 name = "jaxlib"
-version = "0.4.7"
+version = "0.4.13"
 description = "XLA library for JAX"
-category = "main"
 optional = true
 python-versions = ">=3.8"
 files = [
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-    {file = "jaxlib-0.4.7-cp310-cp310-macosx_11_0_arm64.whl", hash = "sha256:0c16f922507277d5630e81d9c1a4974366a27aad5230d645d063bc2011564d01"},
-    {file = "jaxlib-0.4.7-cp310-cp310-manylinux2014_x86_64.whl", hash = "sha256:da88382e6487805974cea6facc61ba92b5828a7a1f2dd80f762c487d873a2b47"},
-    {file = "jaxlib-0.4.7-cp311-cp311-macosx_10_14_x86_64.whl", hash = "sha256:022b216036c009989d4c0683538820c19247215bb99fdd35c7bf32838d596be6"},
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-]
-
-[package.dependencies]
-ml-dtypes = ">=0.0.3"
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+    {file = "jaxlib-0.4.13-cp310-cp310-win_amd64.whl", hash = "sha256:fde66a93e9be89d99e5792f677ed8e319667d6b2396865b1c52c1312844c47f9"},
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+    {file = "jaxlib-0.4.13-cp39-cp39-macosx_11_0_arm64.whl", hash = "sha256:d19c05c15f962e098d49b45e2758aacf19330d192ec5395f9ef136f62db90edc"},
+    {file = "jaxlib-0.4.13-cp39-cp39-manylinux2014_x86_64.whl", hash = "sha256:b5c0a9737efd95fe18fd7715ce30dfce476546705ea8934aad6731777a9631a5"},
+    {file = "jaxlib-0.4.13-cp39-cp39-win_amd64.whl", hash = "sha256:bebb4cf001f180dc431f9604daf930c2d9cc778e4dda26f401ac939b7bac912e"},
+]
+
+[package.dependencies]
+ml-dtypes = ">=0.1.0"
 numpy = ">=1.21"
 scipy = ">=1.7"
 
+[package.extras]
+cuda11-pip = ["nvidia-cublas-cu11 (>=11.11)", "nvidia-cuda-cupti-cu11 (>=11.8)", "nvidia-cuda-nvcc-cu11 (>=11.8)", "nvidia-cuda-runtime-cu11 (>=11.8)", "nvidia-cudnn-cu11 (>=8.8)", "nvidia-cufft-cu11 (>=10.9)", "nvidia-cusolver-cu11 (>=11.4)", "nvidia-cusparse-cu11 (>=11.7)"]
+cuda12-pip = ["nvidia-cublas-cu12", "nvidia-cuda-cupti-cu12", "nvidia-cuda-nvcc-cu12", "nvidia-cuda-runtime-cu12", "nvidia-cudnn-cu12 (>=8.9)", "nvidia-cufft-cu12", "nvidia-cusolver-cu12", "nvidia-cusparse-cu12"]
+
 [[package]]
 name = "jaxtyping"
-version = "0.2.15"
+version = "0.2.20"
 description = "Type annotations and runtime checking for shape and dtype of JAX arrays, and PyTrees."
-category = "main"
 optional = true
-python-versions = "~=3.8"
+python-versions = "~=3.9"
 files = [
-    {file = "jaxtyping-0.2.15-py3-none-any.whl", hash = "sha256:57f434439df79ea141c7e6d3bbbfd2576cf70bf3f7c9aa10d1f833590f26fd94"},
-    {file = "jaxtyping-0.2.15.tar.gz", hash = "sha256:19f56208d495ee5c7d041012d260e088998e4385d8156a2ea084b90819871c64"},
+    {file = "jaxtyping-0.2.20-py3-none-any.whl", hash = "sha256:7038e71cc9352b67a8673d1fc39b6c7e95a326623a1fd43ee7c56faf20866ab9"},
+    {file = "jaxtyping-0.2.20.tar.gz", hash = "sha256:dc2bd15e00b2f38ac5ddc02d3a8bb0202f1703ad91031e914bc77a768d9db8c5"},
 ]
 
 [package.dependencies]
@@ -2784,7 +2710,6 @@ typing-extensions = ">=3.7.4.1"
 name = "jedi"
 version = "0.18.2"
 description = "An autocompletion tool for Python that can be used for text editors."
-category = "dev"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -2804,7 +2729,6 @@ testing = ["Django (<3.1)", "attrs", "colorama", "docopt", "pytest (<7.0.0)"]
 name = "jinja2"
 version = "3.1.2"
 description = "A very fast and expressive template engine."
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -2822,7 +2746,6 @@ i18n = ["Babel (>=2.7)"]
 name = "jmp"
 version = "0.0.4"
 description = "JMP is a Mixed Precision library for JAX."
-category = "main"
 optional = true
 python-versions = "*"
 files = [
@@ -2838,21 +2761,19 @@ jax = ["jax (>=0.2.20)", "jaxlib (>=0.1.71)"]
 
 [[package]]
 name = "joblib"
-version = "1.2.0"
+version = "1.3.1"
 description = "Lightweight pipelining with Python functions"
-category = "main"
 optional = true
 python-versions = ">=3.7"
 files = [
-    {file = "joblib-1.2.0-py3-none-any.whl", hash = "sha256:091138ed78f800342968c523bdde947e7a305b8594b910a0fea2ab83c3c6d385"},
-    {file = "joblib-1.2.0.tar.gz", hash = "sha256:e1cee4a79e4af22881164f218d4311f60074197fb707e082e803b61f6d137018"},
+    {file = "joblib-1.3.1-py3-none-any.whl", hash = "sha256:89cf0529520e01b3de7ac7b74a8102c90d16d54c64b5dd98cafcd14307fdf915"},
+    {file = "joblib-1.3.1.tar.gz", hash = "sha256:1f937906df65329ba98013dc9692fe22a4c5e4a648112de500508b18a21b41e3"},
 ]
 
 [[package]]
 name = "jraph"
 version = "0.0.6.dev0"
 description = "Jraph: A library for Graph Neural Networks in Jax"
-category = "main"
 optional = true
 python-versions = ">=3.6"
 files = [
@@ -2871,14 +2792,13 @@ ogb-examples = ["absl-py (>=0.9)", "dm-haiku (>=0.0.2)", "dm-tree (>=0.1.5)", "o
 
 [[package]]
 name = "json5"
-version = "0.9.11"
+version = "0.9.14"
 description = "A Python implementation of the JSON5 data format."
-category = "dev"
 optional = false
 python-versions = "*"
 files = [
-    {file = "json5-0.9.11-py2.py3-none-any.whl", hash = "sha256:1aa54b80b5e507dfe31d12b7743a642e2ffa6f70bf73b8e3d7d1d5fba83d99bd"},
-    {file = "json5-0.9.11.tar.gz", hash = "sha256:4f1e196acc55b83985a51318489f345963c7ba84aa37607e49073066c562e99b"},
+    {file = "json5-0.9.14-py2.py3-none-any.whl", hash = "sha256:740c7f1b9e584a468dbb2939d8d458db3427f2c93ae2139d05f47e453eae964f"},
+    {file = "json5-0.9.14.tar.gz", hash = "sha256:9ed66c3a6ca3510a976a9ef9b8c0787de24802724ab1860bc0153c7fdd589b02"},
 ]
 
 [package.extras]
@@ -2886,37 +2806,37 @@ dev = ["hypothesis"]
 
 [[package]]
 name = "jsonpointer"
-version = "2.3"
+version = "2.4"
 description = "Identify specific nodes in a JSON document (RFC 6901)"
-category = "dev"
 optional = false
-python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
+python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*, !=3.5.*, !=3.6.*"
 files = [
-    {file = "jsonpointer-2.3-py2.py3-none-any.whl", hash = "sha256:51801e558539b4e9cd268638c078c6c5746c9ac96bc38152d443400e4f3793e9"},
-    {file = "jsonpointer-2.3.tar.gz", hash = "sha256:97cba51526c829282218feb99dab1b1e6bdf8efd1c43dc9d57be093c0d69c99a"},
+    {file = "jsonpointer-2.4-py2.py3-none-any.whl", hash = "sha256:15d51bba20eea3165644553647711d150376234112651b4f1811022aecad7d7a"},
+    {file = "jsonpointer-2.4.tar.gz", hash = "sha256:585cee82b70211fa9e6043b7bb89db6e1aa49524340dde8ad6b63206ea689d88"},
 ]
 
 [[package]]
 name = "jsonschema"
-version = "4.17.3"
+version = "4.18.4"
 description = "An implementation of JSON Schema validation for Python"
-category = "dev"
 optional = false
-python-versions = ">=3.7"
+python-versions = ">=3.8"
 files = [
-    {file = "jsonschema-4.17.3-py3-none-any.whl", hash = "sha256:a870ad254da1a8ca84b6a2905cac29d265f805acc57af304784962a2aa6508f6"},
-    {file = "jsonschema-4.17.3.tar.gz", hash = "sha256:0f864437ab8b6076ba6707453ef8f98a6a0d512a80e93f8abdb676f737ecb60d"},
+    {file = "jsonschema-4.18.4-py3-none-any.whl", hash = "sha256:971be834317c22daaa9132340a51c01b50910724082c2c1a2ac87eeec153a3fe"},
+    {file = "jsonschema-4.18.4.tar.gz", hash = "sha256:fb3642735399fa958c0d2aad7057901554596c63349f4f6b283c493cf692a25d"},
 ]
 
 [package.dependencies]
-attrs = ">=17.4.0"
+attrs = ">=22.2.0"
 fqdn = {version = "*", optional = true, markers = "extra == \"format-nongpl\""}
 idna = {version = "*", optional = true, markers = "extra == \"format-nongpl\""}
 isoduration = {version = "*", optional = true, markers = "extra == \"format-nongpl\""}
 jsonpointer = {version = ">1.13", optional = true, markers = "extra == \"format-nongpl\""}
-pyrsistent = ">=0.14.0,<0.17.0 || >0.17.0,<0.17.1 || >0.17.1,<0.17.2 || >0.17.2"
+jsonschema-specifications = ">=2023.03.6"
+referencing = ">=0.28.4"
 rfc3339-validator = {version = "*", optional = true, markers = "extra == \"format-nongpl\""}
 rfc3986-validator = {version = ">0.1.0", optional = true, markers = "extra == \"format-nongpl\""}
+rpds-py = ">=0.7.1"
 uri-template = {version = "*", optional = true, markers = "extra == \"format-nongpl\""}
 webcolors = {version = ">=1.11", optional = true, markers = "extra == \"format-nongpl\""}
 
@@ -2924,20 +2844,33 @@ webcolors = {version = ">=1.11", optional = true, markers = "extra == \"format-n
 format = ["fqdn", "idna", "isoduration", "jsonpointer (>1.13)", "rfc3339-validator", "rfc3987", "uri-template", "webcolors (>=1.11)"]
 format-nongpl = ["fqdn", "idna", "isoduration", "jsonpointer (>1.13)", "rfc3339-validator", "rfc3986-validator (>0.1.0)", "uri-template", "webcolors (>=1.11)"]
 
+[[package]]
+name = "jsonschema-specifications"
+version = "2023.7.1"
+description = "The JSON Schema meta-schemas and vocabularies, exposed as a Registry"
+optional = false
+python-versions = ">=3.8"
+files = [
+    {file = "jsonschema_specifications-2023.7.1-py3-none-any.whl", hash = "sha256:05adf340b659828a004220a9613be00fa3f223f2b82002e273dee62fd50524b1"},
+    {file = "jsonschema_specifications-2023.7.1.tar.gz", hash = "sha256:c91a50404e88a1f6ba40636778e2ee08f6e24c5613fe4c53ac24578a5a7f72bb"},
+]
+
+[package.dependencies]
+referencing = ">=0.28.0"
+
 [[package]]
 name = "jupyter-client"
-version = "8.2.0"
+version = "8.3.0"
 description = "Jupyter protocol implementation and client libraries"
-category = "dev"
 optional = false
 python-versions = ">=3.8"
 files = [
-    {file = "jupyter_client-8.2.0-py3-none-any.whl", hash = "sha256:b18219aa695d39e2ad570533e0d71fb7881d35a873051054a84ee2a17c4b7389"},
-    {file = "jupyter_client-8.2.0.tar.gz", hash = "sha256:9fe233834edd0e6c0aa5f05ca2ab4bdea1842bfd2d8a932878212fc5301ddaf0"},
+    {file = "jupyter_client-8.3.0-py3-none-any.whl", hash = "sha256:7441af0c0672edc5d28035e92ba5e32fadcfa8a4e608a434c228836a89df6158"},
+    {file = "jupyter_client-8.3.0.tar.gz", hash = "sha256:3af69921fe99617be1670399a0b857ad67275eefcfa291e2c81a160b7b650f5f"},
 ]
 
 [package.dependencies]
-jupyter-core = ">=4.12,<5.0.0 || >=5.1.0"
+jupyter-core = ">=4.12,<5.0.dev0 || >=5.1.dev0"
 python-dateutil = ">=2.8.2"
 pyzmq = ">=23.0"
 tornado = ">=6.2"
@@ -2949,14 +2882,13 @@ test = ["coverage", "ipykernel (>=6.14)", "mypy", "paramiko", "pre-commit", "pyt
 
 [[package]]
 name = "jupyter-core"
-version = "5.3.0"
+version = "5.3.1"
 description = "Jupyter core package. A base package on which Jupyter projects rely."
-category = "dev"
 optional = false
 python-versions = ">=3.8"
 files = [
-    {file = "jupyter_core-5.3.0-py3-none-any.whl", hash = "sha256:d4201af84559bc8c70cead287e1ab94aeef3c512848dde077b7684b54d67730d"},
-    {file = "jupyter_core-5.3.0.tar.gz", hash = "sha256:6db75be0c83edbf1b7c9f91ec266a9a24ef945da630f3120e1a0046dc13713fc"},
+    {file = "jupyter_core-5.3.1-py3-none-any.whl", hash = "sha256:ae9036db959a71ec1cac33081eeb040a79e681f08ab68b0883e9a676c7a90dce"},
+    {file = "jupyter_core-5.3.1.tar.gz", hash = "sha256:5ba5c7938a7f97a6b0481463f7ff0dbac7c15ba48cf46fa4035ca6e838aa1aba"},
 ]
 
 [package.dependencies]
@@ -2972,7 +2904,6 @@ test = ["ipykernel", "pre-commit", "pytest", "pytest-cov", "pytest-timeout"]
 name = "jupyter-events"
 version = "0.6.3"
 description = "Jupyter Event System library"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -2995,14 +2926,13 @@ test = ["click", "coverage", "pre-commit", "pytest (>=7.0)", "pytest-asyncio (>=
 
 [[package]]
 name = "jupyter-server"
-version = "2.5.0"
+version = "2.7.0"
 description = "The backend—i.e. core services, APIs, and REST endpoints—to Jupyter web applications."
-category = "dev"
 optional = false
 python-versions = ">=3.8"
 files = [
-    {file = "jupyter_server-2.5.0-py3-none-any.whl", hash = "sha256:e6bc1e9e96d7c55b9ce9699ff6cb9a910581fe7349e27c40389acb67632e24c0"},
-    {file = "jupyter_server-2.5.0.tar.gz", hash = "sha256:9fde612791f716fd34d610cd939704a9639643744751ba66e7ee8fdc9cead07e"},
+    {file = "jupyter_server-2.7.0-py3-none-any.whl", hash = "sha256:6a77912aff643e53fa14bdb2634884b52b784a4be77ce8e93f7283faed0f0849"},
+    {file = "jupyter_server-2.7.0.tar.gz", hash = "sha256:36da0a266d31a41ac335a366c88933c17dfa5bb817a48f5c02c16d303bc9477f"},
 ]
 
 [package.dependencies]
@@ -3010,11 +2940,12 @@ anyio = ">=3.1.0"
 argon2-cffi = "*"
 jinja2 = "*"
 jupyter-client = ">=7.4.4"
-jupyter-core = ">=4.12,<5.0.0 || >=5.1.0"
-jupyter-events = ">=0.4.0"
+jupyter-core = ">=4.12,<5.0.dev0 || >=5.1.dev0"
+jupyter-events = ">=0.6.0"
 jupyter-server-terminals = "*"
 nbconvert = ">=6.4.4"
 nbformat = ">=5.3.0"
+overrides = "*"
 packaging = "*"
 prometheus-client = "*"
 pywinpty = {version = "*", markers = "os_name == \"nt\""}
@@ -3026,14 +2957,13 @@ traitlets = ">=5.6.0"
 websocket-client = "*"
 
 [package.extras]
-docs = ["docutils (<0.20)", "ipykernel", "jinja2", "jupyter-client", "jupyter-server", "mistune (<1.0.0)", "myst-parser", "nbformat", "prometheus-client", "pydata-sphinx-theme", "send2trash", "sphinx-autodoc-typehints", "sphinxcontrib-github-alt", "sphinxcontrib-openapi", "sphinxcontrib-spelling", "sphinxemoji", "tornado", "typing-extensions"]
-test = ["ipykernel", "pre-commit", "pytest (>=7.0)", "pytest-console-scripts", "pytest-jupyter[server] (>=0.4)", "pytest-timeout", "requests"]
+docs = ["ipykernel", "jinja2", "jupyter-client", "jupyter-server", "myst-parser", "nbformat", "prometheus-client", "pydata-sphinx-theme", "send2trash", "sphinx-autodoc-typehints", "sphinxcontrib-github-alt", "sphinxcontrib-openapi (>=0.8.0)", "sphinxcontrib-spelling", "sphinxemoji", "tornado", "typing-extensions"]
+test = ["flaky", "ipykernel", "pre-commit", "pytest (>=7.0)", "pytest-console-scripts", "pytest-jupyter[server] (>=0.4)", "pytest-timeout", "requests"]
 
 [[package]]
 name = "jupyter-server-fileid"
 version = "0.9.0"
 description = ""
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -3053,7 +2983,6 @@ test = ["jupyter-server[test] (>=1.15,<3)", "pytest", "pytest-cov"]
 name = "jupyter-server-terminals"
 version = "0.4.4"
 description = "A Jupyter Server Extension Providing Terminals."
-category = "dev"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -3073,7 +3002,6 @@ test = ["coverage", "jupyter-server (>=2.0.0)", "pytest (>=7.0)", "pytest-cov",
 name = "jupyter-server-ydoc"
 version = "0.8.0"
 description = "A Jupyter Server Extension Providing Y Documents."
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -3091,33 +3019,31 @@ test = ["coverage", "jupyter-server[test] (>=2.0.0a0)", "pytest (>=7.0)", "pytes
 
 [[package]]
 name = "jupyter-ydoc"
-version = "0.2.4"
+version = "0.2.5"
 description = "Document structures for collaborative editing using Ypy"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "jupyter_ydoc-0.2.4-py3-none-any.whl", hash = "sha256:d1a51c73ead6f6417bec0450f53c577a66abe8d43e9c2d8a1acaf7a17259f843"},
-    {file = "jupyter_ydoc-0.2.4.tar.gz", hash = "sha256:a3f670a69135e90493ffb91d6788efe2632bf42c6cc42a25f25c2e6eddd55a0e"},
+    {file = "jupyter_ydoc-0.2.5-py3-none-any.whl", hash = "sha256:5759170f112c70320a84217dd98d287699076ae65a7f88d458d57940a9f2b882"},
+    {file = "jupyter_ydoc-0.2.5.tar.gz", hash = "sha256:5a02ca7449f0d875f73e8cb8efdf695dddef15a8e71378b1f4eda6b7c90f5382"},
 ]
 
 [package.dependencies]
-y-py = ">=0.5.3,<0.6.0"
+y-py = ">=0.6.0,<0.7.0"
 
 [package.extras]
 dev = ["click", "jupyter-releaser"]
-test = ["pre-commit", "pytest", "pytest-asyncio", "websockets (>=10.0)", "ypy-websocket (>=0.3.1,<0.4.0)"]
+test = ["pre-commit", "pytest", "pytest-asyncio", "websockets (>=10.0)", "ypy-websocket (>=0.8.4,<0.9.0)"]
 
 [[package]]
 name = "jupyterlab"
-version = "3.6.3"
+version = "3.6.5"
 description = "JupyterLab computational environment"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "jupyterlab-3.6.3-py3-none-any.whl", hash = "sha256:6aba0caa771697d02fbf409f9767b2fdb4ee32ce935940e3b9a0d5d48d994d0f"},
-    {file = "jupyterlab-3.6.3.tar.gz", hash = "sha256:373e9cfb8a72edd294be14f16662563a220cecf0fb26de7aab1af9a29b689b82"},
+    {file = "jupyterlab-3.6.5-py3-none-any.whl", hash = "sha256:4d13665c2c2f42c753140d88b52ff8722cd5b38629b934f5612bfa5490bcdc65"},
+    {file = "jupyterlab-3.6.5.tar.gz", hash = "sha256:ac0cb19756be1d1e14b2be1f23c603de46e0f0113960fce9888889ca55ae8923"},
 ]
 
 [package.dependencies]
@@ -3126,7 +3052,7 @@ jinja2 = ">=2.1"
 jupyter-core = "*"
 jupyter-server = ">=1.16.0,<3"
 jupyter-server-ydoc = ">=0.8.0,<0.9.0"
-jupyter-ydoc = ">=0.2.3,<0.3.0"
+jupyter-ydoc = ">=0.2.4,<0.3.0"
 jupyterlab-server = ">=2.19,<3.0"
 nbclassic = "*"
 notebook = "<7"
@@ -3141,7 +3067,6 @@ test = ["check-manifest", "coverage", "jupyterlab-server[test]", "pre-commit", "
 name = "jupyterlab-pygments"
 version = "0.2.2"
 description = "Pygments theme using JupyterLab CSS variables"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -3151,14 +3076,13 @@ files = [
 
 [[package]]
 name = "jupyterlab-server"
-version = "2.22.1"
+version = "2.24.0"
 description = "A set of server components for JupyterLab and JupyterLab like applications."
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "jupyterlab_server-2.22.1-py3-none-any.whl", hash = "sha256:1c8eb55c7cd70a50a51fef42a7b4e26ef2f7fc48728f0290604bd89b1dd156e6"},
-    {file = "jupyterlab_server-2.22.1.tar.gz", hash = "sha256:dfaaf898af84b9d01ae9583b813f378b96ee90c3a66f24c5186ea5d1bbdb2089"},
+    {file = "jupyterlab_server-2.24.0-py3-none-any.whl", hash = "sha256:5f077e142bb8dc9b843d960f940c513581bceca3793a0d80f9c67d9522c4e876"},
+    {file = "jupyterlab_server-2.24.0.tar.gz", hash = "sha256:4e6f99e0a5579bbbc32e449c4dbb039561d4f1a7827d5733273ed56738f21f07"},
 ]
 
 [package.dependencies]
@@ -3171,38 +3095,36 @@ packaging = ">=21.3"
 requests = ">=2.28"
 
 [package.extras]
-docs = ["autodoc-traits", "docutils (<0.20)", "jinja2 (<3.2.0)", "mistune (<3)", "myst-parser", "pydata-sphinx-theme", "sphinx", "sphinx-copybutton", "sphinxcontrib-openapi"]
+docs = ["autodoc-traits", "jinja2 (<3.2.0)", "mistune (<4)", "myst-parser", "pydata-sphinx-theme", "sphinx", "sphinx-copybutton", "sphinxcontrib-openapi (>0.8)"]
 openapi = ["openapi-core (>=0.16.1,<0.17.0)", "ruamel-yaml"]
-test = ["hatch", "ipykernel", "jupyterlab-server[openapi]", "openapi-spec-validator (>=0.5.1,<0.6.0)", "pytest (>=7.0)", "pytest-console-scripts", "pytest-cov", "pytest-jupyter[server] (>=0.6.2)", "pytest-timeout", "requests-mock", "sphinxcontrib-spelling", "strict-rfc3339", "werkzeug"]
+test = ["hatch", "ipykernel", "jupyterlab-server[openapi]", "openapi-spec-validator (>=0.5.1,<0.7.0)", "pytest (>=7.0)", "pytest-console-scripts", "pytest-cov", "pytest-jupyter[server] (>=0.6.2)", "pytest-timeout", "requests-mock", "sphinxcontrib-spelling", "strict-rfc3339", "werkzeug"]
 
 [[package]]
 name = "jupyterlab-widgets"
-version = "3.0.7"
+version = "3.0.8"
 description = "Jupyter interactive widgets for JupyterLab"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "jupyterlab_widgets-3.0.7-py3-none-any.whl", hash = "sha256:c73f8370338ec19f1bec47254752d6505b03601cbd5a67e6a0b184532f73a459"},
-    {file = "jupyterlab_widgets-3.0.7.tar.gz", hash = "sha256:c3a50ed5bf528a0c7a869096503af54702f86dda1db469aee1c92dc0c01b43ca"},
+    {file = "jupyterlab_widgets-3.0.8-py3-none-any.whl", hash = "sha256:4715912d6ceab839c9db35953c764b3214ebbc9161c809f6e0510168845dfdf5"},
+    {file = "jupyterlab_widgets-3.0.8.tar.gz", hash = "sha256:d428ab97b8d87cc7c54cbf37644d6e0f0e662f23876e05fa460a73ec3257252a"},
 ]
 
 [[package]]
 name = "keras"
-version = "2.12.0"
+version = "2.13.1"
 description = "Deep learning for humans."
-category = "main"
 optional = true
 python-versions = ">=3.8"
 files = [
-    {file = "keras-2.12.0-py2.py3-none-any.whl", hash = "sha256:35c39534011e909645fb93515452e98e1a0ce23727b55d4918b9c58b2308c15e"},
+    {file = "keras-2.13.1-py3-none-any.whl", hash = "sha256:5ce5f706f779fa7330e63632f327b75ce38144a120376b2ae1917c00fa6136af"},
+    {file = "keras-2.13.1.tar.gz", hash = "sha256:5df12cc241a015a11b65ddb452c0eeb2744fce21d9b54ba48db87492568ccc68"},
 ]
 
 [[package]]
 name = "kiwisolver"
 version = "1.4.4"
 description = "A fast implementation of the Cassowary constraint solver"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -3278,41 +3200,40 @@ files = [
 
 [[package]]
 name = "kombu"
-version = "5.2.4"
+version = "5.3.1"
 description = "Messaging library for Python."
-category = "main"
 optional = false
-python-versions = ">=3.7"
+python-versions = ">=3.8"
 files = [
-    {file = "kombu-5.2.4-py3-none-any.whl", hash = "sha256:8b213b24293d3417bcf0d2f5537b7f756079e3ea232a8386dcc89a59fd2361a4"},
-    {file = "kombu-5.2.4.tar.gz", hash = "sha256:37cee3ee725f94ea8bb173eaab7c1760203ea53bbebae226328600f9d2799610"},
+    {file = "kombu-5.3.1-py3-none-any.whl", hash = "sha256:48ee589e8833126fd01ceaa08f8a2041334e9f5894e5763c8486a550454551e9"},
+    {file = "kombu-5.3.1.tar.gz", hash = "sha256:fbd7572d92c0bf71c112a6b45163153dea5a7b6a701ec16b568c27d0fd2370f2"},
 ]
 
 [package.dependencies]
-amqp = ">=5.0.9,<6.0.0"
+amqp = ">=5.1.1,<6.0.0"
 vine = "*"
 
 [package.extras]
-azureservicebus = ["azure-servicebus (>=7.0.0)"]
-azurestoragequeues = ["azure-storage-queue"]
-consul = ["python-consul (>=0.6.0)"]
+azureservicebus = ["azure-servicebus (>=7.10.0)"]
+azurestoragequeues = ["azure-identity (>=1.12.0)", "azure-storage-queue (>=12.6.0)"]
+confluentkafka = ["confluent-kafka (==2.1.1)"]
+consul = ["python-consul2"]
 librabbitmq = ["librabbitmq (>=2.0.0)"]
-mongodb = ["pymongo (>=3.3.0,<3.12.1)"]
+mongodb = ["pymongo (>=4.1.1)"]
 msgpack = ["msgpack"]
 pyro = ["pyro4"]
 qpid = ["qpid-python (>=0.26)", "qpid-tools (>=0.26)"]
-redis = ["redis (>=3.4.1,!=4.0.0,!=4.0.1)"]
+redis = ["redis (>=4.5.2)"]
 slmq = ["softlayer-messaging (>=1.0.3)"]
-sqlalchemy = ["sqlalchemy"]
-sqs = ["boto3 (>=1.9.12)", "pycurl (>=7.44.1,<7.45.0)", "urllib3 (>=1.26.7)"]
+sqlalchemy = ["sqlalchemy (>=1.4.48,<2.1)"]
+sqs = ["boto3 (>=1.26.143)", "pycurl (>=7.43.0.5)", "urllib3 (>=1.26.16)"]
 yaml = ["PyYAML (>=3.10)"]
-zookeeper = ["kazoo (>=1.3.1)"]
+zookeeper = ["kazoo (>=2.8.0)"]
 
 [[package]]
 name = "lazy-loader"
 version = "0.2"
 description = "lazy_loader"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -3328,7 +3249,6 @@ test = ["pytest (>=7.2)", "pytest-cov (>=4.0)"]
 name = "libclang"
 version = "15.0.6.1"
 description = "Clang Python Bindings, mirrored from the official LLVM repo: https://github.com/llvm/llvm-project/tree/main/clang/bindings/python, to make the installation process easier."
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -3347,7 +3267,6 @@ files = [
 name = "llvmlite"
 version = "0.39.1"
 description = "lightweight wrapper around basic LLVM functionality"
-category = "main"
 optional = true
 python-versions = ">=3.7"
 files = [
@@ -3385,7 +3304,6 @@ files = [
 name = "mace"
 version = "0.2.0"
 description = ""
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = []
@@ -3409,132 +3327,130 @@ wandb = ["wandb"]
 type = "git"
 url = "https://github.com/ACEsuit/mace.git"
 reference = "HEAD"
-resolved_reference = "44b6da4a5edaa4c3ef867a11728555403d1d475d"
+resolved_reference = "7543f162cfc02b41c1654c73d8c7a393b8b9e9d5"
 
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-version = "3.4.3"
+version = "3.4.4"
 description = "Python implementation of John Gruber's Markdown."
-category = "main"
 optional = true
 python-versions = ">=3.7"
 files = [
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 ]
 
 [package.extras]
+docs = ["mdx-gh-links (>=0.2)", "mkdocs (>=1.0)", "mkdocs-nature (>=0.4)"]
 testing = ["coverage", "pyyaml"]
 
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-version = "2.1.2"
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 ]
 
 [package.dependencies]
@@ -3545,14 +3461,13 @@ kiwisolver = ">=1.0.1"
 numpy = ">=1.20"
 packaging = ">=20.0"
 pillow = ">=6.2.0"
-pyparsing = ">=2.3.1"
+pyparsing = ">=2.3.1,<3.1"
 python-dateutil = ">=2.7"
 
 [[package]]
 name = "matplotlib-inline"
 version = "0.1.6"
 description = "Inline Matplotlib backend for Jupyter"
-category = "dev"
 optional = false
 python-versions = ">=3.5"
 files = [
@@ -3563,11 +3478,53 @@ files = [
 [package.dependencies]
 traitlets = "*"
 
+[[package]]
+name = "matscipy"
+version = "0.8.0"
+description = "Generic Python Materials Science tools"
+optional = true
+python-versions = ">=3.7.0"
+files = [
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+]
+
+[package.dependencies]
+ase = ">=3.16.0"
+numpy = ">=1.16.0"
+scipy = ">=1.2.3"
+
+[package.extras]
+docs = ["sphinx", "sphinx-rtd-theme"]
+test = ["pytest", "sympy"]
+
 [[package]]
 name = "mir-allegro"
 version = "0.2.0"
 description = "Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials."
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = []
@@ -3580,25 +3537,23 @@ nequip = ">=0.5.3"
 type = "git"
 url = "https://github.com/mir-group/allegro.git"
 reference = "HEAD"
-resolved_reference = "71ea80992f70a84fc65ecfb5a5ca45e8a82c6031"
+resolved_reference = "22f673c565d148ae8e9394443baa9f5b5716c8e7"
 
 [[package]]
 name = "mistune"
-version = "2.0.5"
-description = "A sane Markdown parser with useful plugins and renderers"
-category = "dev"
+version = "3.0.1"
+description = "A sane and fast Markdown parser with useful plugins and renderers"
 optional = false
-python-versions = "*"
+python-versions = ">=3.7"
 files = [
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 ]
 
 [[package]]
 name = "ml-collections"
 version = "0.1.1"
 description = "ML Collections is a library of Python collections designed for ML usecases."
-category = "main"
 optional = true
 python-versions = ">=2.6"
 files = [
@@ -3613,36 +3568,32 @@ six = "*"
 
 [[package]]
 name = "ml-dtypes"
-version = "0.1.0"
+version = "0.2.0"
 description = ""
-category = "main"
 optional = true
 python-versions = ">=3.7"
 files = [
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 ]
 
 [package.dependencies]
-numpy = [
-    {version = ">=1.23.3", markers = "python_version > \"3.10\""},
-    {version = ">=1.21.2", markers = "python_version > \"3.9\""},
-]
+numpy = {version = ">=1.21.2", markers = "python_version > \"3.9\""}
 
 [package.extras]
 dev = ["absl-py", "pyink", "pylint (>=2.6.0)", "pytest", "pytest-xdist"]
@@ -3651,7 +3602,6 @@ dev = ["absl-py", "pyink", "pylint (>=2.6.0)", "pytest", "pytest-xdist"]
 name = "mpmath"
 version = "1.3.0"
 description = "Python library for arbitrary-precision floating-point arithmetic"
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -3669,7 +3619,6 @@ tests = ["pytest (>=4.6)"]
 name = "msgpack"
 version = "1.0.5"
 description = "MessagePack serializer"
-category = "main"
 optional = true
 python-versions = "*"
 files = [
@@ -3742,7 +3691,6 @@ files = [
 name = "multidict"
 version = "6.0.4"
 description = "multidict implementation"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -3826,7 +3774,6 @@ files = [
 name = "mypy-extensions"
 version = "1.0.0"
 description = "Type system extensions for programs checked with the mypy type checker."
-category = "dev"
 optional = false
 python-versions = ">=3.5"
 files = [
@@ -3838,7 +3785,6 @@ files = [
 name = "nanotime"
 version = "0.5.2"
 description = "nanotime python implementation"
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -3847,14 +3793,13 @@ files = [
 
 [[package]]
 name = "nbclassic"
-version = "0.5.5"
+version = "1.0.0"
 description = "Jupyter Notebook as a Jupyter Server extension."
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "nbclassic-0.5.5-py3-none-any.whl", hash = "sha256:47791b04dbcb89bf7fde910a3d848fd4793a4248a8936202453631a87da37d51"},
-    {file = "nbclassic-0.5.5.tar.gz", hash = "sha256:d2c91adc7909b0270c73e3e253d3687a6704b4f0a94bc156a37c85eba09f4d37"},
+    {file = "nbclassic-1.0.0-py3-none-any.whl", hash = "sha256:f99e4769b4750076cd4235c044b61232110733322384a94a63791d2e7beacc66"},
+    {file = "nbclassic-1.0.0.tar.gz", hash = "sha256:0ae11eb2319455d805596bf320336cda9554b41d99ab9a3c31bf8180bffa30e3"},
 ]
 
 [package.dependencies]
@@ -3868,7 +3813,7 @@ jupyter-server = ">=1.8"
 nbconvert = ">=5"
 nbformat = "*"
 nest-asyncio = ">=1.5"
-notebook-shim = ">=0.1.0"
+notebook-shim = ">=0.2.3"
 prometheus-client = "*"
 pyzmq = ">=17"
 Send2Trash = ">=1.8.0"
@@ -3883,55 +3828,53 @@ test = ["coverage", "nbval", "pytest", "pytest-cov", "pytest-jupyter", "pytest-p
 
 [[package]]
 name = "nbclient"
-version = "0.7.3"
+version = "0.8.0"
 description = "A client library for executing notebooks. Formerly nbconvert's ExecutePreprocessor."
-category = "dev"
 optional = false
-python-versions = ">=3.7.0"
+python-versions = ">=3.8.0"
 files = [
-    {file = "nbclient-0.7.3-py3-none-any.whl", hash = "sha256:8fa96f7e36693d5e83408f5e840f113c14a45c279befe609904dbe05dad646d1"},
-    {file = "nbclient-0.7.3.tar.gz", hash = "sha256:26e41c6dca4d76701988bc34f64e1bfc2413ae6d368f13d7b5ac407efb08c755"},
+    {file = "nbclient-0.8.0-py3-none-any.whl", hash = "sha256:25e861299e5303a0477568557c4045eccc7a34c17fc08e7959558707b9ebe548"},
+    {file = "nbclient-0.8.0.tar.gz", hash = "sha256:f9b179cd4b2d7bca965f900a2ebf0db4a12ebff2f36a711cb66861e4ae158e55"},
 ]
 
 [package.dependencies]
 jupyter-client = ">=6.1.12"
-jupyter-core = ">=4.12,<5.0.0 || >=5.1.0"
+jupyter-core = ">=4.12,<5.0.dev0 || >=5.1.dev0"
 nbformat = ">=5.1"
-traitlets = ">=5.3"
+traitlets = ">=5.4"
 
 [package.extras]
 dev = ["pre-commit"]
 docs = ["autodoc-traits", "mock", "moto", "myst-parser", "nbclient[test]", "sphinx (>=1.7)", "sphinx-book-theme", "sphinxcontrib-spelling"]
-test = ["flaky", "ipykernel", "ipython", "ipywidgets", "nbconvert (>=7.0.0)", "pytest (>=7.0)", "pytest-asyncio", "pytest-cov (>=4.0)", "testpath", "xmltodict"]
+test = ["flaky", "ipykernel (>=6.19.3)", "ipython", "ipywidgets", "nbconvert (>=7.0.0)", "pytest (>=7.0)", "pytest-asyncio", "pytest-cov (>=4.0)", "testpath", "xmltodict"]
 
 [[package]]
 name = "nbconvert"
-version = "7.3.1"
+version = "7.7.3"
 description = "Converting Jupyter Notebooks"
-category = "dev"
 optional = false
-python-versions = ">=3.7"
+python-versions = ">=3.8"
 files = [
-    {file = "nbconvert-7.3.1-py3-none-any.whl", hash = "sha256:d2e95904666f1ff77d36105b9de4e0801726f93b862d5b28f69e93d99ad3b19c"},
-    {file = "nbconvert-7.3.1.tar.gz", hash = "sha256:78685362b11d2e8058e70196fe83b09abed8df22d3e599cf271f4d39fdc48b9e"},
+    {file = "nbconvert-7.7.3-py3-none-any.whl", hash = "sha256:3022adadff3f86578a47fab7c2228bb3ca9c56a24345642a22f917f6168b48fc"},
+    {file = "nbconvert-7.7.3.tar.gz", hash = "sha256:4a5996bf5f3cd16aa0431897ba1aa4c64842c2079f434b3dc6b8c4b252ef3355"},
 ]
 
 [package.dependencies]
 beautifulsoup4 = "*"
-bleach = "*"
+bleach = "!=5.0.0"
 defusedxml = "*"
 jinja2 = ">=3.0"
 jupyter-core = ">=4.7"
 jupyterlab-pygments = "*"
 markupsafe = ">=2.0"
-mistune = ">=2.0.3,<3"
+mistune = ">=2.0.3,<4"
 nbclient = ">=0.5.0"
-nbformat = ">=5.1"
+nbformat = ">=5.7"
 packaging = "*"
 pandocfilters = ">=1.4.1"
 pygments = ">=2.4.1"
 tinycss2 = "*"
-traitlets = ">=5.0"
+traitlets = ">=5.1"
 
 [package.extras]
 all = ["nbconvert[docs,qtpdf,serve,test,webpdf]"]
@@ -3939,19 +3882,18 @@ docs = ["ipykernel", "ipython", "myst-parser", "nbsphinx (>=0.2.12)", "pydata-sp
 qtpdf = ["nbconvert[qtpng]"]
 qtpng = ["pyqtwebengine (>=5.15)"]
 serve = ["tornado (>=6.1)"]
-test = ["ipykernel", "ipywidgets (>=7)", "pre-commit", "pytest", "pytest-dependency"]
-webpdf = ["pyppeteer (>=1,<1.1)"]
+test = ["flaky", "ipykernel", "ipywidgets (>=7)", "pre-commit", "pytest", "pytest-dependency"]
+webpdf = ["playwright"]
 
 [[package]]
 name = "nbformat"
-version = "5.8.0"
+version = "5.9.1"
 description = "The Jupyter Notebook format"
-category = "dev"
 optional = false
-python-versions = ">=3.7"
+python-versions = ">=3.8"
 files = [
-    {file = "nbformat-5.8.0-py3-none-any.whl", hash = "sha256:d910082bd3e0bffcf07eabf3683ed7dda0727a326c446eeb2922abe102e65162"},
-    {file = "nbformat-5.8.0.tar.gz", hash = "sha256:46dac64c781f1c34dfd8acba16547024110348f9fc7eab0f31981c2a3dc48d1f"},
+    {file = "nbformat-5.9.1-py3-none-any.whl", hash = "sha256:b7968ebf4811178a4108ee837eae1442e3f054132100f0359219e9ed1ce3ca45"},
+    {file = "nbformat-5.9.1.tar.gz", hash = "sha256:3a7f52d040639cbd8a3890218c8b0ffb93211588c57446c90095e32ba5881b5d"},
 ]
 
 [package.dependencies]
@@ -3968,7 +3910,6 @@ test = ["pep440", "pre-commit", "pytest", "testpath"]
 name = "nequip"
 version = "0.5.6"
 description = "NequIP is an open-source code for building E(3)-equivariant interatomic potentials."
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -3990,7 +3931,6 @@ tqdm = "*"
 name = "nest-asyncio"
 version = "1.5.6"
 description = "Patch asyncio to allow nested event loops"
-category = "main"
 optional = false
 python-versions = ">=3.5"
 files = [
@@ -4002,7 +3942,6 @@ files = [
 name = "networkx"
 version = "3.1"
 description = "Python package for creating and manipulating graphs and networks"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -4021,7 +3960,6 @@ test = ["codecov (>=2.1)", "pytest (>=7.2)", "pytest-cov (>=4.0)"]
 name = "notebook"
 version = "6.5.4"
 description = "A web-based notebook environment for interactive computing"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -4056,7 +3994,6 @@ test = ["coverage", "nbval", "pytest", "pytest-cov", "requests", "requests-unixs
 name = "notebook-shim"
 version = "0.2.3"
 description = "A shim layer for notebook traits and config"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -4074,7 +4011,6 @@ test = ["pytest", "pytest-console-scripts", "pytest-jupyter", "pytest-tornasync"
 name = "numba"
 version = "0.56.4"
 description = "compiling Python code using LLVM"
-category = "main"
 optional = true
 python-versions = ">=3.7"
 files = [
@@ -4109,7 +4045,7 @@ files = [
 ]
 
 [package.dependencies]
-llvmlite = ">=0.39.0dev0,<0.40"
+llvmlite = "==0.39.*"
 numpy = ">=1.18,<1.24"
 setuptools = "*"
 
@@ -4117,7 +4053,6 @@ setuptools = "*"
 name = "numpy"
 version = "1.23.5"
 description = "NumPy is the fundamental package for array computing with Python."
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -4155,7 +4090,6 @@ files = [
 name = "oauthlib"
 version = "3.2.2"
 description = "A generic, spec-compliant, thorough implementation of the OAuth request-signing logic"
-category = "main"
 optional = true
 python-versions = ">=3.6"
 files = [
@@ -4172,7 +4106,6 @@ signedtoken = ["cryptography (>=3.0.0)", "pyjwt (>=2.0.0,<3)"]
 name = "omegaconf"
 version = "2.3.0"
 description = "A flexible configuration library"
-category = "main"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -4181,14 +4114,13 @@ files = [
 ]
 
 [package.dependencies]
-antlr4-python3-runtime = ">=4.9.0,<4.10.0"
+antlr4-python3-runtime = "==4.9.*"
 PyYAML = ">=5.1.0"
 
 [[package]]
 name = "opt-einsum"
 version = "3.3.0"
 description = "Optimizing numpys einsum function"
-category = "main"
 optional = false
 python-versions = ">=3.5"
 files = [
@@ -4207,7 +4139,6 @@ tests = ["pytest", "pytest-cov", "pytest-pep8"]
 name = "opt-einsum-fx"
 version = "0.1.4"
 description = "Einsum optimization using opt_einsum and PyTorch FX"
-category = "main"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -4222,14 +4153,13 @@ torch = ">=1.8.0"
 
 [[package]]
 name = "optax"
-version = "0.1.5"
+version = "0.1.7"
 description = "A gradient processing and optimisation library in JAX."
-category = "main"
 optional = true
 python-versions = ">=3.8"
 files = [
-    {file = "optax-0.1.5-py3-none-any.whl", hash = "sha256:4057461448abd1fccdefd5e6c7ebc6ea8daa3105041f2631d6efd506544ecde0"},
-    {file = "optax-0.1.5.tar.gz", hash = "sha256:0aa379b56f51dbd525562f5ee6805a180a2616f3e9fe8080582352bcbb520f2e"},
+    {file = "optax-0.1.7-py3-none-any.whl", hash = "sha256:2b85115f2ae7adafe5fd9abf4b275e53057765361511c8ccc868e70158458494"},
+    {file = "optax-0.1.7.tar.gz", hash = "sha256:6a5a848bc5e55e619b187c749fdddc4a5443ea14be85cc769f995779865c110d"},
 ]
 
 [package.dependencies]
@@ -4239,109 +4169,109 @@ jax = ">=0.1.55"
 jaxlib = ">=0.1.37"
 numpy = ">=1.18.0"
 
+[package.extras]
+docs = ["IPython (==7.16.3)", "dm-haiku (==0.0.8)", "docutils (==0.16)", "ipykernel (==5.3.4)", "matplotlib (==3.5.0)", "myst_nb (==0.13.1)", "pandoc (==1.0.2)", "sphinx (==4.5.0)", "sphinx-autodoc-typehints (==1.11.1)", "sphinx-book-theme (==0.3.3)", "sphinxcontrib-bibtex (==2.4.2)", "sphinxcontrib-katex (==0.9.0)"]
+dp-accounting = ["absl-py (>=1.0.0)", "attrs (>=21.4.0)", "mpmath (>=1.2.1)", "numpy (>=1.21.4)", "scipy (>=1.7.1)"]
+examples = ["dm-haiku (>=0.0.3)", "tensorflow (>=2.4.0)", "tensorflow-datasets (>=4.2.0)"]
+test = ["dm-haiku (>=0.0.3)", "dm-tree (>=0.1.7)", "flax (==0.5.3)"]
+
 [[package]]
 name = "orbax-checkpoint"
-version = "0.2.1"
+version = "0.3.0"
 description = "Orbax Checkpoint"
-category = "main"
 optional = true
-python-versions = ">=3.8"
+python-versions = ">=3.9"
 files = [
-    {file = "orbax-checkpoint-0.2.1.tar.gz", hash = "sha256:3a61b65bf9561edccb666cb51000ecbcd3565af4289e0735c3eac6ae9267ca89"},
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+    {file = "orbax_checkpoint-0.3.0-py3-none-any.whl", hash = "sha256:e4fe208883766814e2bc51de04f2a7ad46e78dc54bb28a6d871c848f1e9f2417"},
+    {file = "orbax_checkpoint-0.3.0.tar.gz", hash = "sha256:3f44e562790c59000d7969f6c15636dc08ed47c10cabbe24dc5cd82156de2b4f"},
 ]
 
 [package.dependencies]
 absl-py = "*"
-cached_property = "*"
-etils = "*"
-importlib_resources = "*"
-jax = ">=0.4.8"
+etils = {version = "*", extras = ["epath", "epy"]}
+jax = ">=0.4.9"
 jaxlib = "*"
 msgpack = "*"
 nest_asyncio = "*"
 numpy = "*"
+protobuf = "*"
 pyyaml = "*"
 tensorstore = ">=0.1.35"
 typing_extensions = "*"
 
 [package.extras]
-dev = ["flax", "pytest", "pytest-xdist"]
+testing = ["flax", "pytest", "pytest-xdist"]
 
 [[package]]
 name = "orjson"
-version = "3.8.10"
+version = "3.9.2"
 description = "Fast, correct Python JSON library supporting dataclasses, datetimes, and numpy"
-category = "main"
-optional = false
-python-versions = ">= 3.7"
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+
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+name = "overrides"
+version = "7.3.1"
+description = "A decorator to automatically detect mismatch when overriding a method."
+optional = false
+python-versions = ">=3.6"
+files = [
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 [[package]]
 name = "packaging"
 version = "23.1"
 description = "Core utilities for Python packages"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -4353,7 +4283,6 @@ files = [
 name = "pandas"
 version = "1.5.3"
 description = "Powerful data structures for data analysis, time series, and statistics"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
@@ -4387,10 +4316,7 @@ files = [
 ]
 
 [package.dependencies]
-numpy = [
-    {version = ">=1.21.0", markers = "python_version >= \"3.10\""},
-    {version = ">=1.23.2", markers = "python_version >= \"3.11\""},
-]
+numpy = {version = ">=1.21.0", markers = "python_version >= \"3.10\""}
 python-dateutil = ">=2.8.1"
 pytz = ">=2020.1"
 
@@ -4401,7 +4327,6 @@ test = ["hypothesis (>=5.5.3)", "pytest (>=6.0)", "pytest-xdist (>=1.31)"]
 name = "pandocfilters"
 version = "1.5.0"
 description = "Utilities for writing pandoc filters in python"
-category = "dev"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
 files = [
@@ -4413,7 +4338,6 @@ files = [
 name = "parso"
 version = "0.8.3"
 description = "A Python Parser"
-category = "dev"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -4429,7 +4353,6 @@ testing = ["docopt", "pytest (<6.0.0)"]
 name = "pathspec"
 version = "0.11.1"
 description = "Utility library for gitignore style pattern matching of file paths."
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -4441,7 +4364,6 @@ files = [
 name = "pexpect"
 version = "4.8.0"
 description = "Pexpect allows easy control of interactive console applications."
-category = "dev"
 optional = false
 python-versions = "*"
 files = [
@@ -4456,7 +4378,6 @@ ptyprocess = ">=0.5"
 name = "pickleshare"
 version = "0.7.5"
 description = "Tiny 'shelve'-like database with concurrency support"
-category = "dev"
 optional = false
 python-versions = "*"
 files = [
@@ -4466,78 +4387,65 @@ files = [
 
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 name = "pillow"
-version = "9.5.0"
+version = "10.0.0"
 description = "Python Imaging Library (Fork)"
-category = "main"
 optional = false
-python-versions = ">=3.7"
+python-versions = ">=3.8"
 files = [
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 ]
 
 [package.extras]
@@ -4548,7 +4456,6 @@ tests = ["check-manifest", "coverage", "defusedxml", "markdown2", "olefile", "pa
 name = "pint"
 version = "0.17"
 description = "Physical quantities module"
-category = "main"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -4566,30 +4473,28 @@ uncertainties = ["uncertainties (>=3.0)"]
 
 [[package]]
 name = "platformdirs"
-version = "3.2.0"
+version = "3.9.1"
 description = "A small Python package for determining appropriate platform-specific dirs, e.g. a \"user data dir\"."
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
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 ]
 
 [package.extras]
-docs = ["furo (>=2022.12.7)", "proselint (>=0.13)", "sphinx (>=6.1.3)", "sphinx-autodoc-typehints (>=1.22,!=1.23.4)"]
-test = ["appdirs (==1.4.4)", "covdefaults (>=2.3)", "pytest (>=7.2.2)", "pytest-cov (>=4)", "pytest-mock (>=3.10)"]
+docs = ["furo (>=2023.5.20)", "proselint (>=0.13)", "sphinx (>=7.0.1)", "sphinx-autodoc-typehints (>=1.23,!=1.23.4)"]
+test = ["appdirs (==1.4.4)", "covdefaults (>=2.3)", "pytest (>=7.3.1)", "pytest-cov (>=4.1)", "pytest-mock (>=3.10)"]
 
 [[package]]
 name = "pluggy"
-version = "1.0.0"
+version = "1.2.0"
 description = "plugin and hook calling mechanisms for python"
-category = "dev"
 optional = false
-python-versions = ">=3.6"
+python-versions = ">=3.7"
 files = [
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 ]
 
 [package.extras]
@@ -4598,14 +4503,13 @@ testing = ["pytest", "pytest-benchmark"]
 
 [[package]]
 name = "prettytable"
-version = "3.7.0"
+version = "3.8.0"
 description = "A simple Python library for easily displaying tabular data in a visually appealing ASCII table format"
-category = "dev"
 optional = false
-python-versions = ">=3.7"
+python-versions = ">=3.8"
 files = [
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 ]
 
 [package.dependencies]
@@ -4616,14 +4520,13 @@ tests = ["pytest", "pytest-cov", "pytest-lazy-fixture"]
 
 [[package]]
 name = "prometheus-client"
-version = "0.16.0"
+version = "0.17.1"
 description = "Python client for the Prometheus monitoring system."
-category = "dev"
 optional = false
 python-versions = ">=3.6"
 files = [
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 ]
 
 [package.extras]
@@ -4633,7 +4536,6 @@ twisted = ["twisted"]
 name = "promise"
 version = "2.3"
 description = "Promises/A+ implementation for Python"
-category = "main"
 optional = true
 python-versions = "*"
 files = [
@@ -4648,14 +4550,13 @@ test = ["coveralls", "futures", "mock", "pytest (>=2.7.3)", "pytest-benchmark",
 
 [[package]]
 name = "prompt-toolkit"
-version = "3.0.38"
+version = "3.0.39"
 description = "Library for building powerful interactive command lines in Python"
-category = "main"
 optional = false
 python-versions = ">=3.7.0"
 files = [
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 ]
 
 [package.dependencies]
@@ -4663,32 +4564,30 @@ wcwidth = "*"
 
 [[package]]
 name = "protobuf"
-version = "4.22.3"
+version = "4.23.4"
 description = ""
-category = "main"
 optional = true
 python-versions = ">=3.7"
 files = [
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+    {file = "protobuf-4.23.4-cp39-cp39-win_amd64.whl", hash = "sha256:0a5759f5696895de8cc913f084e27fd4125e8fb0914bb729a17816a33819f474"},
+    {file = "protobuf-4.23.4-py3-none-any.whl", hash = "sha256:e9d0be5bf34b275b9f87ba7407796556abeeba635455d036c7351f7c183ef8ff"},
+    {file = "protobuf-4.23.4.tar.gz", hash = "sha256:ccd9430c0719dce806b93f89c91de7977304729e55377f872a92465d548329a9"},
 ]
 
 [[package]]
 name = "psutil"
 version = "5.9.5"
 description = "Cross-platform lib for process and system monitoring in Python."
-category = "main"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
 files = [
@@ -4715,7 +4614,6 @@ test = ["enum34", "ipaddress", "mock", "pywin32", "wmi"]
 name = "ptyprocess"
 version = "0.7.0"
 description = "Run a subprocess in a pseudo terminal"
-category = "dev"
 optional = false
 python-versions = "*"
 files = [
@@ -4727,7 +4625,6 @@ files = [
 name = "pure-eval"
 version = "0.2.2"
 description = "Safely evaluate AST nodes without side effects"
-category = "dev"
 optional = false
 python-versions = "*"
 files = [
@@ -4742,7 +4639,6 @@ tests = ["pytest"]
 name = "pyasn1"
 version = "0.5.0"
 description = "Pure-Python implementation of ASN.1 types and DER/BER/CER codecs (X.208)"
-category = "main"
 optional = true
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*,>=2.7"
 files = [
@@ -4754,7 +4650,6 @@ files = [
 name = "pyasn1-modules"
 version = "0.3.0"
 description = "A collection of ASN.1-based protocols modules"
-category = "main"
 optional = true
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*,>=2.7"
 files = [
@@ -4767,24 +4662,22 @@ pyasn1 = ">=0.4.6,<0.6.0"
 
 [[package]]
 name = "pybind11"
-version = "2.10.4"
+version = "2.11.1"
 description = "Seamless operability between C++11 and Python"
-category = "main"
 optional = true
 python-versions = ">=3.6"
 files = [
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-    {file = "pybind11-2.10.4.tar.gz", hash = "sha256:0bb621d3c45a049aa5923debb87c5c0e2668227905c55ebe8af722608d8ed927"},
+    {file = "pybind11-2.11.1-py3-none-any.whl", hash = "sha256:33cdd02a6453380dd71cc70357ce388ad1ee8d32bd0e38fc22b273d050aa29b3"},
+    {file = "pybind11-2.11.1.tar.gz", hash = "sha256:00cd59116a6e8155aecd9174f37ba299d1d397ed4a6b86ac1dfe01b3e40f2cc4"},
 ]
 
 [package.extras]
-global = ["pybind11-global (==2.10.4)"]
+global = ["pybind11-global (==2.11.1)"]
 
 [[package]]
 name = "pycparser"
 version = "2.21"
 description = "C parser in Python"
-category = "main"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
 files = [
@@ -4794,48 +4687,47 @@ files = [
 
 [[package]]
 name = "pydantic"
-version = "1.10.7"
+version = "1.10.12"
 description = "Data validation and settings management using python type hints"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
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 version = "1.4.2"
 description = "Python interface to Graphviz's Dot"
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 optional = false
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 version = "2.15.1"
 description = "Pygments is a syntax highlighting package written in Python."
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
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 version = "2.5.0"
 description = "A pure Python trie data structure implementation."
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 optional = false
 python-versions = "*"
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@@ -4935,7 +4823,6 @@ files = [
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 description = "pyparsing module - Classes and methods to define and execute parsing grammars"
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 optional = false
 python-versions = ">=3.6.8"
 files = [
@@ -4946,53 +4833,15 @@ files = [
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 diagrams = ["jinja2", "railroad-diagrams"]
 
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 description = "pytest: simple powerful testing with Python"
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 ]
 
 [package.dependencies]
@@ -5004,13 +4853,12 @@ pluggy = ">=0.12,<2.0"
 tomli = {version = ">=1.0.0", markers = "python_version < \"3.11\""}
 
 [package.extras]
-testing = ["argcomplete", "attrs (>=19.2.0)", "hypothesis (>=3.56)", "mock", "nose", "pygments (>=2.7.2)", "requests", "xmlschema"]
+testing = ["argcomplete", "attrs (>=19.2.0)", "hypothesis (>=3.56)", "mock", "nose", "pygments (>=2.7.2)", "requests", "setuptools", "xmlschema"]
 
 [[package]]
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 description = "Extensions to the standard Python datetime module"
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 optional = false
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,>=2.7"
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@@ -5025,7 +4873,6 @@ six = ">=1.5"
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 version = "2.0.7"
 description = "A python library adding a json log formatter"
-category = "dev"
 optional = false
 python-versions = ">=3.6"
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@@ -5037,7 +4884,6 @@ files = [
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 version = "2023.3"
 description = "World timezone definitions, modern and historical"
-category = "main"
 optional = false
 python-versions = "*"
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@@ -5049,7 +4895,6 @@ files = [
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 version = "306"
 description = "Python for Window Extensions"
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 optional = false
 python-versions = "*"
 files = [
@@ -5071,155 +4916,151 @@ files = [
 
 [[package]]
 name = "pywinpty"
-version = "2.0.10"
+version = "2.0.11"
 description = "Pseudo terminal support for Windows from Python."
-category = "dev"
 optional = false
-python-versions = ">=3.7"
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 ]
 
 [package.dependencies]
 numpy = "*"
 Pillow = "*"
 
+[[package]]
+name = "referencing"
+version = "0.30.0"
+description = "JSON Referencing + Python"
+optional = false
+python-versions = ">=3.8"
+files = [
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+]
+
+[package.dependencies]
+attrs = ">=22.2.0"
+rpds-py = ">=0.7.0"
+
 [[package]]
 name = "regex"
 version = "2021.11.10"
 description = "Alternative regular expression module, to replace re."
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -5378,21 +5234,20 @@ files = [
 
 [[package]]
 name = "requests"
-version = "2.28.2"
+version = "2.31.0"
 description = "Python HTTP for Humans."
-category = "main"
 optional = false
-python-versions = ">=3.7, <4"
+python-versions = ">=3.7"
 files = [
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 ]
 
 [package.dependencies]
 certifi = ">=2017.4.17"
 charset-normalizer = ">=2,<4"
 idna = ">=2.5,<4"
-urllib3 = ">=1.21.1,<1.27"
+urllib3 = ">=1.21.1,<3"
 
 [package.extras]
 socks = ["PySocks (>=1.5.6,!=1.5.7)"]
@@ -5402,7 +5257,6 @@ use-chardet-on-py3 = ["chardet (>=3.0.2,<6)"]
 name = "requests-oauthlib"
 version = "1.3.1"
 description = "OAuthlib authentication support for Requests."
-category = "main"
 optional = true
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
 files = [
@@ -5421,7 +5275,6 @@ rsa = ["oauthlib[signedtoken] (>=3.0.0)"]
 name = "rfc3339-validator"
 version = "0.1.4"
 description = "A pure python RFC3339 validator"
-category = "dev"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
 files = [
@@ -5436,7 +5289,6 @@ six = "*"
 name = "rfc3986-validator"
 version = "0.1.1"
 description = "Pure python rfc3986 validator"
-category = "dev"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
 files = [
@@ -5448,7 +5300,6 @@ files = [
 name = "rich"
 version = "12.6.0"
 description = "Render rich text, tables, progress bars, syntax highlighting, markdown and more to the terminal"
-category = "main"
 optional = false
 python-versions = ">=3.6.3,<4.0.0"
 files = [
@@ -5463,11 +5314,116 @@ pygments = ">=2.6.0,<3.0.0"
 [package.extras]
 jupyter = ["ipywidgets (>=7.5.1,<8.0.0)"]
 
+[[package]]
+name = "rpds-py"
+version = "0.9.2"
+description = "Python bindings to Rust's persistent data structures (rpds)"
+optional = false
+python-versions = ">=3.8"
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 version = "4.9"
 description = "Pure-Python RSA implementation"
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 optional = true
 python-versions = ">=3.6,<4"
 files = [
@@ -5480,18 +5436,17 @@ pyasn1 = ">=0.1.3"
 
 [[package]]
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 [package.extras]
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 description = "C version of reader, parser and emitter for ruamel.yaml derived from libyaml"
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 version = "0.0.252"
 description = "An extremely fast Python linter, written in Rust."
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
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+    {file = "scmrepo-1.1.0-py3-none-any.whl", hash = "sha256:96364bb1154151c94994eaafa5089500f1236c03f8d76a87f90e4c7d33508b58"},
+    {file = "scmrepo-1.1.0.tar.gz", hash = "sha256:e29dc3fd1055de3cc5c8be71d0f20c7d44d909c9ca9e8cd4670f3815e1e0c774"},
 ]
 
 [package.dependencies]
 asyncssh = ">=2.13.1,<3"
-dulwich = ">=0.20.49"
+dulwich = ">=0.21.5"
 fsspec = ">=2021.7.0"
 funcy = ">=1.14"
 gitpython = ">3"
@@ -5676,14 +5624,13 @@ pygtrie = ">=2.3.2"
 shortuuid = ">=0.5.0"
 
 [package.extras]
-dev = ["mock (==5.0.1)", "mypy (==0.971)", "paramiko (==3.1.0)", "pylint (==2.15.0)", "pytest (==7.2.0)", "pytest-asyncio (==0.18.3)", "pytest-cov (==3.0.0)", "pytest-docker (==0.12.0)", "pytest-mock (==3.8.2)", "pytest-sugar (==0.9.5)", "pytest-test-utils (==0.0.8)", "types-certifi (==2021.10.8.3)", "types-mock (==5.0.0.6)", "types-paramiko (==3.0.0.7)"]
-tests = ["mock (==5.0.1)", "mypy (==0.971)", "paramiko (==3.1.0)", "pylint (==2.15.0)", "pytest (==7.2.0)", "pytest-asyncio (==0.18.3)", "pytest-cov (==3.0.0)", "pytest-docker (==0.12.0)", "pytest-mock (==3.8.2)", "pytest-sugar (==0.9.5)", "pytest-test-utils (==0.0.8)", "types-certifi (==2021.10.8.3)", "types-mock (==5.0.0.6)", "types-paramiko (==3.0.0.7)"]
+dev = ["mock (==5.0.1)", "mypy (==0.971)", "paramiko (==3.1.0)", "pylint (==2.15.0)", "pytest (==7.2.0)", "pytest-asyncio (==0.18.3)", "pytest-cov (==3.0.0)", "pytest-docker (==0.12.0)", "pytest-mock (==3.8.2)", "pytest-sugar (==0.9.5)", "pytest-test-utils (==0.0.8)", "types-certifi (==2021.10.8.3)", "types-mock (==5.0.0.6)", "types-paramiko (==3.0.0.10)"]
+tests = ["mock (==5.0.1)", "mypy (==0.971)", "paramiko (==3.1.0)", "pylint (==2.15.0)", "pytest (==7.2.0)", "pytest-asyncio (==0.18.3)", "pytest-cov (==3.0.0)", "pytest-docker (==0.12.0)", "pytest-mock (==3.8.2)", "pytest-sugar (==0.9.5)", "pytest-test-utils (==0.0.8)", "types-certifi (==2021.10.8.3)", "types-mock (==5.0.0.6)", "types-paramiko (==3.0.0.10)"]
 
 [[package]]
 name = "seaborn"
 version = "0.12.2"
 description = "Statistical data visualization"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -5703,14 +5650,13 @@ stats = ["scipy (>=1.3)", "statsmodels (>=0.10)"]
 
 [[package]]
 name = "send2trash"
-version = "1.8.0"
-description = "Send file to trash natively under Mac OS X, Windows and Linux."
-category = "dev"
+version = "1.8.2"
+description = "Send file to trash natively under Mac OS X, Windows and Linux"
 optional = false
-python-versions = "*"
+python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,>=2.7"
 files = [
-    {file = "Send2Trash-1.8.0-py3-none-any.whl", hash = "sha256:f20eaadfdb517eaca5ce077640cb261c7d2698385a6a0f072a4a5447fd49fa08"},
-    {file = "Send2Trash-1.8.0.tar.gz", hash = "sha256:d2c24762fd3759860a0aff155e45871447ea58d2be6bdd39b5c8f966a0c99c2d"},
+    {file = "Send2Trash-1.8.2-py3-none-any.whl", hash = "sha256:a384719d99c07ce1eefd6905d2decb6f8b7ed054025bb0e618919f945de4f679"},
+    {file = "Send2Trash-1.8.2.tar.gz", hash = "sha256:c132d59fa44b9ca2b1699af5c86f57ce9f4c5eb56629d5d55fbb7a35f84e2312"},
 ]
 
 [package.extras]
@@ -5720,26 +5666,24 @@ win32 = ["pywin32"]
 
 [[package]]
 name = "setuptools"
-version = "67.7.2"
+version = "68.0.0"
 description = "Easily download, build, install, upgrade, and uninstall Python packages"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "setuptools-67.7.2-py3-none-any.whl", hash = "sha256:23aaf86b85ca52ceb801d32703f12d77517b2556af839621c641fca11287952b"},
-    {file = "setuptools-67.7.2.tar.gz", hash = "sha256:f104fa03692a2602fa0fec6c6a9e63b6c8a968de13e17c026957dd1f53d80990"},
+    {file = "setuptools-68.0.0-py3-none-any.whl", hash = "sha256:11e52c67415a381d10d6b462ced9cfb97066179f0e871399e006c4ab101fc85f"},
+    {file = "setuptools-68.0.0.tar.gz", hash = "sha256:baf1fdb41c6da4cd2eae722e135500da913332ab3f2f5c7d33af9b492acb5235"},
 ]
 
 [package.extras]
 docs = ["furo", "jaraco.packaging (>=9)", "jaraco.tidelift (>=1.4)", "pygments-github-lexers (==0.0.5)", "rst.linker (>=1.9)", "sphinx (>=3.5)", "sphinx-favicon", "sphinx-hoverxref (<2)", "sphinx-inline-tabs", "sphinx-lint", "sphinx-notfound-page (==0.8.3)", "sphinx-reredirects", "sphinxcontrib-towncrier"]
-testing = ["build[virtualenv]", "filelock (>=3.4.0)", "flake8 (<5)", "flake8-2020", "ini2toml[lite] (>=0.9)", "jaraco.envs (>=2.2)", "jaraco.path (>=3.2.0)", "pip (>=19.1)", "pip-run (>=8.8)", "pytest (>=6)", "pytest-black (>=0.3.7)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=1.3)", "pytest-flake8", "pytest-mypy (>=0.9.1)", "pytest-perf", "pytest-timeout", "pytest-xdist", "tomli-w (>=1.0.0)", "virtualenv (>=13.0.0)", "wheel"]
+testing = ["build[virtualenv]", "filelock (>=3.4.0)", "flake8-2020", "ini2toml[lite] (>=0.9)", "jaraco.envs (>=2.2)", "jaraco.path (>=3.2.0)", "pip (>=19.1)", "pip-run (>=8.8)", "pytest (>=6)", "pytest-black (>=0.3.7)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=1.3)", "pytest-mypy (>=0.9.1)", "pytest-perf", "pytest-ruff", "pytest-timeout", "pytest-xdist", "tomli-w (>=1.0.0)", "virtualenv (>=13.0.0)", "wheel"]
 testing-integration = ["build[virtualenv]", "filelock (>=3.4.0)", "jaraco.envs (>=2.2)", "jaraco.path (>=3.2.0)", "pytest", "pytest-enabler", "pytest-xdist", "tomli", "virtualenv (>=13.0.0)", "wheel"]
 
 [[package]]
 name = "shellingham"
 version = "1.5.0.post1"
 description = "Tool to Detect Surrounding Shell"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -5751,7 +5695,6 @@ files = [
 name = "shortuuid"
 version = "1.0.11"
 description = "A generator library for concise, unambiguous and URL-safe UUIDs."
-category = "main"
 optional = false
 python-versions = ">=3.5"
 files = [
@@ -5761,21 +5704,22 @@ files = [
 
 [[package]]
 name = "shtab"
-version = "1.6.1"
+version = "1.6.3"
 description = "Automagic shell tab completion for Python CLI applications"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "shtab-1.6.1-py3-none-any.whl", hash = "sha256:db2c41d81a61c7ecefd1dad8212bdc4b667e7449b8172aa6445f557f901810c4"},
-    {file = "shtab-1.6.1.tar.gz", hash = "sha256:decc78082c3ffb518c1dfd3a8da99653a2d47e58e3104197bce8ae6507dad78b"},
+    {file = "shtab-1.6.3-py3-none-any.whl", hash = "sha256:4d8ee72e57e072533e89b0f47eca76dc6cea6a8db9f1a1efa92df2d31d200db6"},
+    {file = "shtab-1.6.3.tar.gz", hash = "sha256:00bfb8c2b02f503298a6774fb40503c0dbf9621205f721725f8ef40bd4f32027"},
 ]
 
+[package.extras]
+dev = ["pytest (>=6)", "pytest-cov", "pytest-timeout"]
+
 [[package]]
 name = "six"
 version = "1.16.0"
 description = "Python 2 and 3 compatibility utilities"
-category = "main"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*"
 files = [
@@ -5787,7 +5731,6 @@ files = [
 name = "smmap"
 version = "5.0.0"
 description = "A pure Python implementation of a sliding window memory map manager"
-category = "main"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -5799,7 +5742,6 @@ files = [
 name = "sniffio"
 version = "1.3.0"
 description = "Sniff out which async library your code is running under"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -5811,7 +5753,6 @@ files = [
 name = "soupsieve"
 version = "2.4.1"
 description = "A modern CSS selector implementation for Beautiful Soup."
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -5823,7 +5764,6 @@ files = [
 name = "sparse"
 version = "0.14.0"
 description = "Sparse n-dimensional arrays"
-category = "main"
 optional = true
 python-versions = ">=3.8, <4"
 files = [
@@ -5844,14 +5784,13 @@ tox = ["dask[array]", "pytest (>=3.5)", "pytest-black", "pytest-cov", "tox"]
 
 [[package]]
 name = "sqltrie"
-version = "0.3.1"
+version = "0.7.0"
 description = "SQL-based prefix tree inspired by pygtrie and python-diskcache"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
-    {file = "sqltrie-0.3.1-py3-none-any.whl", hash = "sha256:8cbb616049ab50cf543c605d0c4c72bc2eadfa94e90823227f7e01acf2ca7b69"},
-    {file = "sqltrie-0.3.1.tar.gz", hash = "sha256:63d562dc90dc88f1de6bacb3c1c8796b127544f84fd670bcca64f96c92695e53"},
+    {file = "sqltrie-0.7.0-py3-none-any.whl", hash = "sha256:cbb1402965e94ff79aa5bd72afce39575e857714f4185d04a922df7437d8391a"},
+    {file = "sqltrie-0.7.0.tar.gz", hash = "sha256:26f2e77510bf90b74d1a22fd8b586840fb862a4690ba4a91ccc369a6e72a9bf1"},
 ]
 
 [package.dependencies]
@@ -5867,7 +5806,6 @@ tests = ["mypy (==0.971)", "pyinstaller", "pylint (==2.15.0)", "pytest (==7.2.0)
 name = "stack-data"
 version = "0.6.2"
 description = "Extract data from python stack frames and tracebacks for informative displays"
-category = "dev"
 optional = false
 python-versions = "*"
 files = [
@@ -5885,14 +5823,13 @@ tests = ["cython", "littleutils", "pygments", "pytest", "typeguard"]
 
 [[package]]
 name = "sympy"
-version = "1.11.1"
+version = "1.12"
 description = "Computer algebra system (CAS) in Python"
-category = "main"
 optional = false
 python-versions = ">=3.8"
 files = [
-    {file = "sympy-1.11.1-py3-none-any.whl", hash = "sha256:938f984ee2b1e8eae8a07b884c8b7a1146010040fccddc6539c54f401c8f6fcf"},
-    {file = "sympy-1.11.1.tar.gz", hash = "sha256:e32380dce63cb7c0108ed525570092fd45168bdae2faa17e528221ef72e88658"},
+    {file = "sympy-1.12-py3-none-any.whl", hash = "sha256:c3588cd4295d0c0f603d0f2ae780587e64e2efeedb3521e46b9bb1d08d184fa5"},
+    {file = "sympy-1.12.tar.gz", hash = "sha256:ebf595c8dac3e0fdc4152c51878b498396ec7f30e7a914d6071e674d49420fb8"},
 ]
 
 [package.dependencies]
@@ -5902,7 +5839,6 @@ mpmath = ">=0.19"
 name = "tabulate"
 version = "0.9.0"
 description = "Pretty-print tabular data"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -5915,13 +5851,12 @@ widechars = ["wcwidth"]
 
 [[package]]
 name = "tensorboard"
-version = "2.12.2"
+version = "2.13.0"
 description = "TensorBoard lets you watch Tensors Flow"
-category = "main"
 optional = true
 python-versions = ">=3.8"
 files = [
-    {file = "tensorboard-2.12.2-py3-none-any.whl", hash = "sha256:811ab0d27a139445836db9fd4f974424602c3dce12379364d379bcba7c783a68"},
+    {file = "tensorboard-2.13.0-py3-none-any.whl", hash = "sha256:ab69961ebddbddc83f5fa2ff9233572bdad5b883778c35e4fe94bf1798bd8481"},
 ]
 
 [package.dependencies]
@@ -5935,135 +5870,121 @@ protobuf = ">=3.19.6"
 requests = ">=2.21.0,<3"
 setuptools = ">=41.0.0"
 tensorboard-data-server = ">=0.7.0,<0.8.0"
-tensorboard-plugin-wit = ">=1.6.0"
 werkzeug = ">=1.0.1"
 wheel = ">=0.26"
 
 [[package]]
 name = "tensorboard-data-server"
-version = "0.7.0"
+version = "0.7.1"
 description = "Fast data loading for TensorBoard"
-category = "main"
 optional = true
 python-versions = ">=3.7"
 files = [
-    {file = "tensorboard_data_server-0.7.0-py3-none-any.whl", hash = "sha256:753d4214799b31da7b6d93837959abebbc6afa86e69eacf1e9a317a48daa31eb"},
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-]
-
-[[package]]
-name = "tensorboard-plugin-wit"
-version = "1.8.1"
-description = "What-If Tool TensorBoard plugin."
-category = "main"
-optional = true
-python-versions = "*"
-files = [
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+    {file = "tensorboard_data_server-0.7.1-py3-none-any.whl", hash = "sha256:9938bd39f5041797b33921066fba0eab03a0dd10d1887a05e62ae58841ad4c3f"},
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 ]
 
 [[package]]
 name = "tensorflow"
-version = "2.12.0"
+version = "2.13.0"
 description = "TensorFlow is an open source machine learning framework for everyone."
-category = "main"
 optional = true
 python-versions = ">=3.8"
 files = [
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@@ -6127,20 +6048,18 @@ youtube-vis = ["pycocotools"]
 
 [[package]]
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@@ -6171,7 +6090,6 @@ tensorflow-rocm = ["tensorflow-rocm (>=2.12.0,<2.13.0)"]
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@@ -6185,29 +6103,28 @@ protobuf = ">=3.20.3,<5"
 
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 [package.dependencies]
@@ -6217,7 +6134,6 @@ numpy = ">=1.16.0"
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@@ -6232,7 +6148,6 @@ tests = ["pytest", "pytest-cov"]
 name = "terminado"
 version = "0.17.1"
 description = "Tornado websocket backend for the Xterm.js Javascript terminal emulator library."
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -6251,21 +6166,19 @@ test = ["pre-commit", "pytest (>=7.0)", "pytest-timeout"]
 
 [[package]]
 name = "threadpoolctl"
-version = "3.1.0"
+version = "3.2.0"
 description = "threadpoolctl"
-category = "main"
 optional = true
-python-versions = ">=3.6"
+python-versions = ">=3.8"
 files = [
-    {file = "threadpoolctl-3.1.0-py3-none-any.whl", hash = "sha256:8b99adda265feb6773280df41eece7b2e6561b772d21ffd52e372f999024907b"},
-    {file = "threadpoolctl-3.1.0.tar.gz", hash = "sha256:a335baacfaa4400ae1f0d8e3a58d6674d2f8828e3716bb2802c44955ad391380"},
+    {file = "threadpoolctl-3.2.0-py3-none-any.whl", hash = "sha256:2b7818516e423bdaebb97c723f86a7c6b0a83d3f3b0970328d66f4d9104dc032"},
+    {file = "threadpoolctl-3.2.0.tar.gz", hash = "sha256:c96a0ba3bdddeaca37dc4cc7344aafad41cdb8c313f74fdfe387a867bba93355"},
 ]
 
 [[package]]
 name = "tinycss2"
 version = "1.2.1"
 description = "A tiny CSS parser"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -6284,7 +6197,6 @@ test = ["flake8", "isort", "pytest"]
 name = "toml"
 version = "0.10.2"
 description = "Python Library for Tom's Obvious, Minimal Language"
-category = "main"
 optional = true
 python-versions = ">=2.6, !=3.0.*, !=3.1.*, !=3.2.*"
 files = [
@@ -6296,7 +6208,6 @@ files = [
 name = "tomli"
 version = "2.0.1"
 description = "A lil' TOML parser"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -6306,21 +6217,19 @@ files = [
 
 [[package]]
 name = "tomlkit"
-version = "0.11.7"
+version = "0.12.0"
 description = "Style preserving TOML library"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "tomlkit-0.11.7-py3-none-any.whl", hash = "sha256:5325463a7da2ef0c6bbfefb62a3dc883aebe679984709aee32a317907d0a8d3c"},
-    {file = "tomlkit-0.11.7.tar.gz", hash = "sha256:f392ef70ad87a672f02519f99967d28a4d3047133e2d1df936511465fbb3791d"},
+    {file = "tomlkit-0.12.0-py3-none-any.whl", hash = "sha256:926f1f37a1587c7a4f6c7484dae538f1345d96d793d9adab5d3675957b1d0766"},
+    {file = "tomlkit-0.12.0.tar.gz", hash = "sha256:01f0477981119c7d8ee0f67ebe0297a7c95b14cf9f4b102b45486deb77018716"},
 ]
 
 [[package]]
 name = "toolz"
 version = "0.12.0"
 description = "List processing tools and functional utilities"
-category = "main"
 optional = true
 python-versions = ">=3.5"
 files = [
@@ -6332,7 +6241,6 @@ files = [
 name = "torch"
 version = "1.12.1"
 description = "Tensors and Dynamic neural networks in Python with strong GPU acceleration"
-category = "main"
 optional = false
 python-versions = ">=3.7.0"
 files = [
@@ -6365,7 +6273,6 @@ typing-extensions = "*"
 name = "torch-ema"
 version = "0.3"
 description = "PyTorch library for computing moving averages of model parameters."
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -6380,7 +6287,6 @@ torch = "*"
 name = "torch-runstats"
 version = "0.2.0"
 description = "Running/online statistics for PyTorch"
-category = "main"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -6390,30 +6296,28 @@ files = [
 
 [[package]]
 name = "tornado"
-version = "6.3.1"
+version = "6.3.2"
 description = "Tornado is a Python web framework and asynchronous networking library, originally developed at FriendFeed."
-category = "dev"
 optional = false
 python-versions = ">= 3.8"
 files = [
-    {file = "tornado-6.3.1-cp38-abi3-macosx_10_9_universal2.whl", hash = "sha256:db181eb3df8738613ff0a26f49e1b394aade05034b01200a63e9662f347d4415"},
-    {file = "tornado-6.3.1-cp38-abi3-macosx_10_9_x86_64.whl", hash = "sha256:b4e7b956f9b5e6f9feb643ea04f07e7c6b49301e03e0023eedb01fa8cf52f579"},
-    {file = "tornado-6.3.1-cp38-abi3-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:9661aa8bc0e9d83d757cd95b6f6d1ece8ca9fd1ccdd34db2de381e25bf818233"},
-    {file = "tornado-6.3.1-cp38-abi3-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl", hash = "sha256:81c17e0cc396908a5e25dc8e9c5e4936e6dfd544c9290be48bd054c79bcad51e"},
-    {file = "tornado-6.3.1-cp38-abi3-manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:a27a1cfa9997923f80bdd962b3aab048ac486ad8cfb2f237964f8ab7f7eb824b"},
-    {file = "tornado-6.3.1-cp38-abi3-musllinux_1_1_aarch64.whl", hash = "sha256:d7117f3c7ba5d05813b17a1f04efc8e108a1b811ccfddd9134cc68553c414864"},
-    {file = "tornado-6.3.1-cp38-abi3-musllinux_1_1_i686.whl", hash = "sha256:ffdce65a281fd708da5a9def3bfb8f364766847fa7ed806821a69094c9629e8a"},
-    {file = "tornado-6.3.1-cp38-abi3-musllinux_1_1_x86_64.whl", hash = "sha256:90f569a35a8ec19bde53aa596952071f445da678ec8596af763b9b9ce07605e6"},
-    {file = "tornado-6.3.1-cp38-abi3-win32.whl", hash = "sha256:3455133b9ff262fd0a75630af0a8ee13564f25fb4fd3d9ce239b8a7d3d027bf8"},
-    {file = "tornado-6.3.1-cp38-abi3-win_amd64.whl", hash = "sha256:1285f0691143f7ab97150831455d4db17a267b59649f7bd9700282cba3d5e771"},
-    {file = "tornado-6.3.1.tar.gz", hash = "sha256:5e2f49ad371595957c50e42dd7e5c14d64a6843a3cf27352b69c706d1b5918af"},
+    {file = "tornado-6.3.2-cp38-abi3-macosx_10_9_universal2.whl", hash = "sha256:c367ab6c0393d71171123ca5515c61ff62fe09024fa6bf299cd1339dc9456829"},
+    {file = "tornado-6.3.2-cp38-abi3-macosx_10_9_x86_64.whl", hash = "sha256:b46a6ab20f5c7c1cb949c72c1994a4585d2eaa0be4853f50a03b5031e964fc7c"},
+    {file = "tornado-6.3.2-cp38-abi3-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:c2de14066c4a38b4ecbbcd55c5cc4b5340eb04f1c5e81da7451ef555859c833f"},
+    {file = "tornado-6.3.2-cp38-abi3-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl", hash = "sha256:05615096845cf50a895026f749195bf0b10b8909f9be672f50b0fe69cba368e4"},
+    {file = "tornado-6.3.2-cp38-abi3-manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:5b17b1cf5f8354efa3d37c6e28fdfd9c1c1e5122f2cb56dac121ac61baa47cbe"},
+    {file = "tornado-6.3.2-cp38-abi3-musllinux_1_1_aarch64.whl", hash = "sha256:29e71c847a35f6e10ca3b5c2990a52ce38b233019d8e858b755ea6ce4dcdd19d"},
+    {file = "tornado-6.3.2-cp38-abi3-musllinux_1_1_i686.whl", hash = "sha256:834ae7540ad3a83199a8da8f9f2d383e3c3d5130a328889e4cc991acc81e87a0"},
+    {file = "tornado-6.3.2-cp38-abi3-musllinux_1_1_x86_64.whl", hash = "sha256:6a0848f1aea0d196a7c4f6772197cbe2abc4266f836b0aac76947872cd29b411"},
+    {file = "tornado-6.3.2-cp38-abi3-win32.whl", hash = "sha256:7efcbcc30b7c654eb6a8c9c9da787a851c18f8ccd4a5a3a95b05c7accfa068d2"},
+    {file = "tornado-6.3.2-cp38-abi3-win_amd64.whl", hash = "sha256:0c325e66c8123c606eea33084976c832aa4e766b7dff8aedd7587ea44a604cdf"},
+    {file = "tornado-6.3.2.tar.gz", hash = "sha256:4b927c4f19b71e627b13f3db2324e4ae660527143f9e1f2e2fb404f3a187e2ba"},
 ]
 
 [[package]]
 name = "tqdm"
 version = "4.65.0"
 description = "Fast, Extensible Progress Meter"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -6434,7 +6338,6 @@ telegram = ["requests"]
 name = "traitlets"
 version = "5.9.0"
 description = "Traitlets Python configuration system"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -6450,7 +6353,6 @@ test = ["argcomplete (>=2.0)", "pre-commit", "pytest", "pytest-mock"]
 name = "transitions"
 version = "0.7.2"
 description = "A lightweight, object-oriented Python state machine implementation."
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -6467,14 +6369,13 @@ test = ["pytest"]
 
 [[package]]
 name = "typeguard"
-version = "3.0.2"
+version = "4.0.0"
 description = "Run-time type checker for Python"
-category = "main"
 optional = true
 python-versions = ">=3.7.4"
 files = [
-    {file = "typeguard-3.0.2-py3-none-any.whl", hash = "sha256:bbe993854385284ab42fd5bd3bee6f6556577ce8b50696d6cb956d704f286c8e"},
-    {file = "typeguard-3.0.2.tar.gz", hash = "sha256:fee5297fdb28f8e9efcb8142b5ee219e02375509cd77ea9d270b5af826358d5a"},
+    {file = "typeguard-4.0.0-py3-none-any.whl", hash = "sha256:c4a40af0ba8a41077221271b46d0a6d8d46045443e4d887887c69254ca861952"},
+    {file = "typeguard-4.0.0.tar.gz", hash = "sha256:194fb3dbcb06ea9caf7088f3befee014de57961689f9c859ac5239b1ef61d987"},
 ]
 
 [package.dependencies]
@@ -6482,13 +6383,12 @@ typing-extensions = {version = ">=4.4.0", markers = "python_version < \"3.11\""}
 
 [package.extras]
 doc = ["packaging", "sphinx-autodoc-typehints (>=1.2.0)", "sphinx-rtd-theme"]
-test = ["mypy (>=0.991)", "pytest (>=7)"]
+test = ["mypy (>=1.2.0)", "pytest (>=7)"]
 
 [[package]]
 name = "typer"
 version = "0.7.0"
 description = "Typer, build great CLIs. Easy to code. Based on Python type hints."
-category = "main"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -6512,7 +6412,6 @@ test = ["black (>=22.3.0,<23.0.0)", "coverage (>=6.2,<7.0)", "isort (>=5.0.6,<6.
 name = "typing-extensions"
 version = "4.5.0"
 description = "Backported and Experimental Type Hints for Python 3.7+"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -6520,31 +6419,40 @@ files = [
     {file = "typing_extensions-4.5.0.tar.gz", hash = "sha256:5cb5f4a79139d699607b3ef622a1dedafa84e115ab0024e0d9c044a9479ca7cb"},
 ]
 
+[[package]]
+name = "tzdata"
+version = "2023.3"
+description = "Provider of IANA time zone data"
+optional = false
+python-versions = ">=2"
+files = [
+    {file = "tzdata-2023.3-py2.py3-none-any.whl", hash = "sha256:7e65763eef3120314099b6939b5546db7adce1e7d6f2e179e3df563c70511eda"},
+    {file = "tzdata-2023.3.tar.gz", hash = "sha256:11ef1e08e54acb0d4f95bdb1be05da659673de4acbd21bf9c69e94cc5e907a3a"},
+]
+
 [[package]]
 name = "uri-template"
-version = "1.2.0"
+version = "1.3.0"
 description = "RFC 6570 URI Template Processor"
-category = "dev"
 optional = false
-python-versions = ">=3.6"
+python-versions = ">=3.7"
 files = [
-    {file = "uri_template-1.2.0-py3-none-any.whl", hash = "sha256:f1699c77b73b925cf4937eae31ab282a86dc885c333f2e942513f08f691fc7db"},
-    {file = "uri_template-1.2.0.tar.gz", hash = "sha256:934e4d09d108b70eb8a24410af8615294d09d279ce0e7cbcdaef1bd21f932b06"},
+    {file = "uri-template-1.3.0.tar.gz", hash = "sha256:0e00f8eb65e18c7de20d595a14336e9f337ead580c70934141624b6d1ffdacc7"},
+    {file = "uri_template-1.3.0-py3-none-any.whl", hash = "sha256:a44a133ea12d44a0c0f06d7d42a52d71282e77e2f937d8abd5655b8d56fc1363"},
 ]
 
 [package.extras]
-dev = ["flake8 (<4.0.0)", "flake8-annotations", "flake8-bugbear", "flake8-commas", "flake8-comprehensions", "flake8-continuation", "flake8-datetimez", "flake8-docstrings", "flake8-import-order", "flake8-literal", "flake8-noqa", "flake8-requirements", "flake8-type-annotations", "flake8-use-fstring", "mypy", "pep8-naming"]
+dev = ["flake8", "flake8-annotations", "flake8-bandit", "flake8-bugbear", "flake8-commas", "flake8-comprehensions", "flake8-continuation", "flake8-datetimez", "flake8-docstrings", "flake8-import-order", "flake8-literal", "flake8-modern-annotations", "flake8-noqa", "flake8-pyproject", "flake8-requirements", "flake8-typechecking-import", "flake8-use-fstring", "mypy", "pep8-naming", "types-PyYAML"]
 
 [[package]]
 name = "urllib3"
-version = "1.26.15"
+version = "1.26.16"
 description = "HTTP library with thread-safe connection pooling, file post, and more."
-category = "main"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*, !=3.5.*"
 files = [
-    {file = "urllib3-1.26.15-py2.py3-none-any.whl", hash = "sha256:aa751d169e23c7479ce47a0cb0da579e3ede798f994f5816a74e4f4500dcea42"},
-    {file = "urllib3-1.26.15.tar.gz", hash = "sha256:8a388717b9476f934a21484e8c8e61875ab60644d29b9b39e11e4b9dc1c6b305"},
+    {file = "urllib3-1.26.16-py2.py3-none-any.whl", hash = "sha256:8d36afa7616d8ab714608411b4a3b13e58f463aee519024578e062e141dce20f"},
+    {file = "urllib3-1.26.16.tar.gz", hash = "sha256:8f135f6502756bde6b2a9b28989df5fbe87c9970cecaa69041edcce7f0589b14"},
 ]
 
 [package.extras]
@@ -6556,7 +6464,6 @@ socks = ["PySocks (>=1.5.6,!=1.5.7,<2.0)"]
 name = "vine"
 version = "5.0.0"
 description = "Promises, promises, promises."
-category = "main"
 optional = false
 python-versions = ">=3.6"
 files = [
@@ -6568,7 +6475,6 @@ files = [
 name = "voluptuous"
 version = "0.13.1"
 description = ""
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -6580,7 +6486,6 @@ files = [
 name = "wcwidth"
 version = "0.2.6"
 description = "Measures the displayed width of unicode strings in a terminal"
-category = "main"
 optional = false
 python-versions = "*"
 files = [
@@ -6592,7 +6497,6 @@ files = [
 name = "webcolors"
 version = "1.13"
 description = "A library for working with the color formats defined by HTML and CSS."
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -6608,7 +6512,6 @@ tests = ["pytest", "pytest-cov"]
 name = "webencodings"
 version = "0.5.1"
 description = "Character encoding aliases for legacy web content"
-category = "dev"
 optional = false
 python-versions = "*"
 files = [
@@ -6618,14 +6521,13 @@ files = [
 
 [[package]]
 name = "websocket-client"
-version = "1.5.1"
+version = "1.6.1"
 description = "WebSocket client for Python with low level API options"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "websocket-client-1.5.1.tar.gz", hash = "sha256:3f09e6d8230892547132177f575a4e3e73cfdf06526e20cc02aa1c3b47184d40"},
-    {file = "websocket_client-1.5.1-py3-none-any.whl", hash = "sha256:cdf5877568b7e83aa7cf2244ab56a3213de587bbe0ce9d8b9600fc77b455d89e"},
+    {file = "websocket-client-1.6.1.tar.gz", hash = "sha256:c951af98631d24f8df89ab1019fc365f2227c0892f12fd150e935607c79dd0dd"},
+    {file = "websocket_client-1.6.1-py3-none-any.whl", hash = "sha256:f1f9f2ad5291f0225a49efad77abf9e700b6fef553900623060dad6e26503b9d"},
 ]
 
 [package.extras]
@@ -6635,128 +6537,134 @@ test = ["websockets"]
 
 [[package]]
 name = "werkzeug"
-version = "2.2.3"
+version = "2.3.6"
 description = "The comprehensive WSGI web application library."
-category = "main"
 optional = true
-python-versions = ">=3.7"
+python-versions = ">=3.8"
 files = [
-    {file = "Werkzeug-2.2.3-py3-none-any.whl", hash = "sha256:56433961bc1f12533306c624f3be5e744389ac61d722175d543e1751285da612"},
-    {file = "Werkzeug-2.2.3.tar.gz", hash = "sha256:2e1ccc9417d4da358b9de6f174e3ac094391ea1d4fbef2d667865d819dfd0afe"},
+    {file = "Werkzeug-2.3.6-py3-none-any.whl", hash = "sha256:935539fa1413afbb9195b24880778422ed620c0fc09670945185cce4d91a8890"},
+    {file = "Werkzeug-2.3.6.tar.gz", hash = "sha256:98c774df2f91b05550078891dee5f0eb0cb797a522c757a2452b9cee5b202330"},
 ]
 
 [package.dependencies]
 MarkupSafe = ">=2.1.1"
 
 [package.extras]
-watchdog = ["watchdog"]
+watchdog = ["watchdog (>=2.3)"]
 
 [[package]]
 name = "wheel"
-version = "0.40.0"
+version = "0.41.0"
 description = "A built-package format for Python"
-category = "main"
 optional = true
 python-versions = ">=3.7"
 files = [
-    {file = "wheel-0.40.0-py3-none-any.whl", hash = "sha256:d236b20e7cb522daf2390fa84c55eea81c5c30190f90f29ae2ca1ad8355bf247"},
-    {file = "wheel-0.40.0.tar.gz", hash = "sha256:cd1196f3faee2b31968d626e1731c94f99cbdb67cf5a46e4f5656cbee7738873"},
+    {file = "wheel-0.41.0-py3-none-any.whl", hash = "sha256:7e9be3bbd0078f6147d82ed9ed957e323e7708f57e134743d2edef3a7b7972a9"},
+    {file = "wheel-0.41.0.tar.gz", hash = "sha256:55a0f0a5a84869bce5ba775abfd9c462e3a6b1b7b7ec69d72c0b83d673a5114d"},
 ]
 
 [package.extras]
-test = ["pytest (>=6.0.0)"]
+test = ["pytest (>=6.0.0)", "setuptools (>=65)"]
 
 [[package]]
 name = "widgetsnbextension"
-version = "4.0.7"
+version = "4.0.8"
 description = "Jupyter interactive widgets for Jupyter Notebook"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "widgetsnbextension-4.0.7-py3-none-any.whl", hash = "sha256:be3228a73bbab189a16be2d4a3cd89ecbd4e31948bfdc64edac17dcdee3cd99c"},
-    {file = "widgetsnbextension-4.0.7.tar.gz", hash = "sha256:ea67c17a7cd4ae358f8f46c3b304c40698bc0423732e3f273321ee141232c8be"},
+    {file = "widgetsnbextension-4.0.8-py3-none-any.whl", hash = "sha256:2e37f0ce9da11651056280c7efe96f2db052fe8fc269508e3724f5cbd6c93018"},
+    {file = "widgetsnbextension-4.0.8.tar.gz", hash = "sha256:9ec291ba87c2dfad42c3d5b6f68713fa18be1acd7476569516b2431682315c17"},
 ]
 
 [[package]]
 name = "wrapt"
-version = "1.14.1"
+version = "1.15.0"
 description = "Module for decorators, wrappers and monkey patching."
-category = "main"
 optional = true
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,>=2.7"
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 [package.dependencies]
@@ -6930,20 +6836,19 @@ multidict = ">=4.0"
 
 [[package]]
 name = "ypy-websocket"
-version = "0.8.2"
+version = "0.8.4"
 description = "WebSocket connector for Ypy"
-category = "dev"
 optional = false
 python-versions = ">=3.7"
 files = [
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 aiofiles = ">=22.1.0,<23"
 aiosqlite = ">=0.17.0,<1"
-y-py = ">=0.5.3,<0.6.0"
+y-py = ">=0.6.0,<0.7.0"
 
 [package.extras]
 test = ["mypy", "pre-commit", "pytest", "pytest-asyncio", "websockets (>=10.0)"]
@@ -6952,7 +6857,6 @@ test = ["mypy", "pre-commit", "pytest", "pytest-asyncio", "websockets (>=10.0)"]
 name = "zc-lockfile"
 version = "3.0.post1"
 description = "Basic inter-process locks"
-category = "main"
 optional = false
 python-versions = ">=3.7"
 files = [
@@ -6968,30 +6872,28 @@ test = ["zope.testing"]
 
 [[package]]
 name = "zipp"
-version = "3.15.0"
+version = "3.16.2"
 description = "Backport of pathlib-compatible object wrapper for zip files"
-category = "main"
 optional = true
-python-versions = ">=3.7"
+python-versions = ">=3.8"
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+docs = ["furo", "jaraco.packaging (>=9.3)", "jaraco.tidelift (>=1.4)", "rst.linker (>=1.9)", "sphinx (>=3.5)", "sphinx-lint"]
+testing = ["big-O", "jaraco.functools", "jaraco.itertools", "more-itertools", "pytest (>=6)", "pytest-black (>=0.3.7)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=2.2)", "pytest-ignore-flaky", "pytest-mypy (>=0.9.1)", "pytest-ruff"]
 
 [[package]]
 name = "znflow"
-version = "0.1.11"
+version = "0.1.13"
 description = "A general purpose framework for building and running computational graphs."
-category = "main"
 optional = false
 python-versions = ">=3.8,<4.0"
 files = [
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 ]
 
 [package.dependencies]
@@ -7003,18 +6905,18 @@ dask = ["bokeh (>=2.4.2,<3.0.0)", "dask (>=2022.12.1,<2023.0.0)", "dask-jobqueue
 
 [[package]]
 name = "znh5md"
-version = "0.1.6"
+version = "0.1.7"
 description = "High Performance Interface for H5MD Trajectories"
-category = "main"
 optional = false
 python-versions = ">=3.9,<4.0"
 files = [
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-    {file = "znh5md-0.1.6.tar.gz", hash = "sha256:14b5fb3647a520fc120ed3fedf8374896895c248452390c9638b36aff952cc49"},
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 ]
 
 [package.dependencies]
 ase = ">=3.22.1,<4.0.0"
+chemfiles = ">=0.10.3,<0.11.0"
 h5py = ">=3.7.0,<4.0.0"
 tqdm = ">=4.65.0,<5.0.0"
 typer = {version = ">=0.7.0,<0.8.0", extras = ["all"]}
@@ -7026,7 +6928,6 @@ dask = ["dask[array] (>=2022.11.1,<2023.0.0)"]
 name = "zninit"
 version = "0.1.10"
 description = "Descriptor based dataclass implementation"
-category = "main"
 optional = false
 python-versions = ">=3.8,<4.0"
 files = [
@@ -7041,7 +6942,6 @@ typeguard = ["typeguard (>=2.13.3,<3.0.0)"]
 name = "znjson"
 version = "0.2.2"
 description = "A Python Package to Encode/Decode some common file formats to json"
-category = "main"
 optional = false
 python-versions = ">=3.8,<4.0"
 files = [
@@ -7051,24 +6951,23 @@ files = [
 
 [[package]]
 name = "zntrack"
-version = "0.6.0a5"
+version = "0.6.3a1"
 description = "Create, Run and Benchmark DVC Pipelines in Python"
-category = "main"
 optional = false
 python-versions = ">=3.8,<4.0.0"
 files = [
-    {file = "zntrack-0.6.0a5-py3-none-any.whl", hash = "sha256:fbdfd9243af367ec1768d657e3a3482b4fc5d1febb2de33677890ceb7a4c76ff"},
-    {file = "zntrack-0.6.0a5.tar.gz", hash = "sha256:cf72850ee3a5785cb299b1d3197985d1b1cc1109aba5127b8ffb0a742923f5e3"},
+    {file = "zntrack-0.6.3a1-py3-none-any.whl", hash = "sha256:629b8fa7f179dd3d27dfc076954023fd4ce25b2dbd9f7d946da88547ac4d15cd"},
+    {file = "zntrack-0.6.3a1.tar.gz", hash = "sha256:bb455aad75f36ee5d6d424b40315b6316755eb7f0f017916819c94f0e6678130"},
 ]
 
 [package.dependencies]
 dot4dict = ">=0.1.1,<0.2.0"
-dvc = ">=2.52.0,<2.53.0 || >2.53.0,<3.0.0"
+dvc = ">=3.2.2,<4.0.0"
 pandas = ">=1.4.3,<2.0.0"
 pyyaml = ">=6.0,<7.0"
 tqdm = ">=4.64.0,<5.0.0"
 typer = ">=0.7.0,<0.8.0"
-znflow = ">=0.1.11,<0.2.0"
+znflow = ">=0.1.13,<0.2.0"
 zninit = ">=0.1.9,<0.2.0"
 znjson = ">=0.2.2,<0.3.0"
 
@@ -7080,5 +6979,5 @@ nequip = ["nequip"]
 
 [metadata]
 lock-version = "2.0"
-python-versions = ">=3.10,<3.12"
-content-hash = "159705093b989227ea85bce0c59014e8082b8ebf5e683a3472731a977387c933"
+python-versions = ">=3.10,<3.11"
+content-hash = "993cbc8b75d897a426b48e9fe5c10307b9c17e42d50e52c60dfd774d0a544ce8"
diff --git a/pyproject.toml b/pyproject.toml
index 05f055ce..8643ad4a 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -1,6 +1,6 @@
 [tool.poetry]
 name = "ipsuite"
-version = "0.1.0a3"
+version = "0.1.0a4"
 description = "A suite of tools for machine learned interatomic potentials."
 authors = ["zincwarecode <zincwarecode@gmail.com>"]
 keywords = ["data-version-control", "machine-learning", "reproducibility", "interatomic potentials"]
@@ -9,12 +9,12 @@ readme = "README.md"
 
 [tool.poetry.dependencies]
 # tensorflow-io-gcs-filesystem
-python = ">=3.10,<3.12"
+python = ">=3.10,<3.11"
 # temporary version constraints
 libclang = "^15"
 
 znh5md = "^0.1.6a0"
-zntrack = "^0.6.0a5"
+zntrack = "^0.6.3a1"
 
 ase = "^3.22.1"
 
@@ -40,7 +40,7 @@ xmltodict = "^0.13.0"
 
 nequip = { version = "^0.5.6", optional = true }
 apax = { git = "https://github.com/apax-hub/apax.git", rev = "dev", optional = true}
-rdkit = "^2022.9.5"
+rdkit = "^2023"
 lazy-loader = "^0.2"
 znflow = "^0.1.11"
 
diff --git a/tests/test_atomsuite.py b/tests/test_ipsuite.py
similarity index 88%
rename from tests/test_atomsuite.py
rename to tests/test_ipsuite.py
index 78fd6228..19bc6940 100644
--- a/tests/test_atomsuite.py
+++ b/tests/test_ipsuite.py
@@ -4,7 +4,7 @@
 
 def test_version():
     """Test 'IPSuite' version."""
-    assert ips.__version__ == "0.1.0a3"
+    assert ips.__version__ == "0.1.0a4"
 
 
 def test_node_imports():

From b988dec3dda8c83944571a9f4363cc2ee1e2489f Mon Sep 17 00:00:00 2001
From: PythonFZ <fabian.zills@web.de>
Date: Thu, 27 Jul 2023 16:37:47 +0200
Subject: [PATCH 2/6] bugfix for new zntrack release

---
 tests/integration/configuration_selection/test_index.py | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/tests/integration/configuration_selection/test_index.py b/tests/integration/configuration_selection/test_index.py
index ef8e8e18..19add6c2 100644
--- a/tests/integration/configuration_selection/test_index.py
+++ b/tests/integration/configuration_selection/test_index.py
@@ -11,9 +11,6 @@
 def test_direct_selection(proj_w_data, eager, data_style):
     proj, data = proj_w_data
 
-    if eager:
-        for node in data:
-            node.load()
     with proj:
         if data_style == "lst":
             _data = data
@@ -38,6 +35,10 @@ def test_direct_selection(proj_w_data, eager, data_style):
             name="selection2",
         )
 
+    if eager:
+        for node in data:
+            node.load()
+
     proj.run(eager=eager)
     if not eager:
         selection.load()

From f8cf05abd89d5330c13251811a90dfdb2fe00509 Mon Sep 17 00:00:00 2001
From: PythonFZ <fabian.zills@web.de>
Date: Thu, 27 Jul 2023 16:52:13 +0200
Subject: [PATCH 3/6] fix ApaxJaxMD API update

---
 ipsuite/calculators/apax_jax_md.py                 | 14 ++++++++++++--
 tests/integration/calculators/apax_md_minimal.yaml |  7 +++++--
 2 files changed, 17 insertions(+), 4 deletions(-)

diff --git a/ipsuite/calculators/apax_jax_md.py b/ipsuite/calculators/apax_jax_md.py
index 7e9a34be..15bdd455 100644
--- a/ipsuite/calculators/apax_jax_md.py
+++ b/ipsuite/calculators/apax_jax_md.py
@@ -4,7 +4,9 @@
 import typing
 
 import ase.io
+import h5py
 import yaml
+import znh5md
 import zntrack.utils
 from zntrack import dvc, zn
 
@@ -92,5 +94,13 @@ def run(self):
     @functools.cached_property
     def atoms(self) -> typing.List[ase.Atoms]:
         # filename should be changeable
-        with self.state.fs.open((self.sim_dir / "md.traj").as_posix()) as f:
-            return list(ase.io.iread(f))
+        def file_handle(filename):
+            file = self.state.fs.open(filename, "rb")
+            return h5py.File(file)
+
+        return znh5md.ASEH5MD(
+            self.sim_dir / "md.h5",
+            format_handler=functools.partial(
+                znh5md.FormatHandler, file_handle=file_handle
+            ),
+        ).get_atoms_list()
diff --git a/tests/integration/calculators/apax_md_minimal.yaml b/tests/integration/calculators/apax_md_minimal.yaml
index bd742fc4..2a23a350 100644
--- a/tests/integration/calculators/apax_md_minimal.yaml
+++ b/tests/integration/calculators/apax_md_minimal.yaml
@@ -1,3 +1,6 @@
 temperature: 1
-duration: 2.5
-n_inner: 1
+duration: 3 #fs
+n_inner: 1 # compiled innner steps
+dt: 0.5 # fs
+dr_threshold: 0.5 # Neighborlist skin
+sampling_rate: 1

From d452dca824c2940462b0f7420f4b3375a4dbce75 Mon Sep 17 00:00:00 2001
From: PythonFZ <fabian.zills@web.de>
Date: Thu, 27 Jul 2023 19:05:43 +0200
Subject: [PATCH 4/6] remove _hash

---
 ipsuite/configuration_comparison/base.py | 1 -
 ipsuite/configuration_selection/base.py  | 3 ---
 ipsuite/data_loading/add_data_h5md.py    | 4 +---
 3 files changed, 1 insertion(+), 7 deletions(-)

diff --git a/ipsuite/configuration_comparison/base.py b/ipsuite/configuration_comparison/base.py
index 1ee28846..91fbdca3 100644
--- a/ipsuite/configuration_comparison/base.py
+++ b/ipsuite/configuration_comparison/base.py
@@ -118,7 +118,6 @@ class ConfigurationComparison(base.IPSNode):
 
     Attributes
     ----------
-        hash used to use this Node as zn.Nodes()
     reference: typing.Union[utils.helpers.UNION_ATOMS_OR_ATOMS_LST,
      utils.types.SupportsAtoms]
         reference configurations to compare analyte to
diff --git a/ipsuite/configuration_selection/base.py b/ipsuite/configuration_selection/base.py
index 0fc746eb..de5ea0f8 100644
--- a/ipsuite/configuration_selection/base.py
+++ b/ipsuite/configuration_selection/base.py
@@ -1,7 +1,6 @@
 """Base Node for ConfigurationSelection."""
 import logging
 import typing
-import uuid
 
 import ase
 import znflow
@@ -27,7 +26,6 @@ class ConfigurationSelection(base.ProcessAtoms):
 
     """
 
-    _hash = zntrack.zn.outs()
     exclude_configurations: typing.Union[
         typing.Dict[str, typing.List[int]], base.protocol.HasSelectedConfigurations
     ] = zntrack.zn.deps(None)
@@ -47,7 +45,6 @@ def _post_init_(self):
 
     def run(self):
         """ZnTrack Node Run method."""
-        self._hash = str(uuid.uuid4())
         if self.exclude is not None:
             if self.exclude_configurations is None:
                 self.exclude_configurations = {}
diff --git a/ipsuite/data_loading/add_data_h5md.py b/ipsuite/data_loading/add_data_h5md.py
index de42bb06..9afb3977 100644
--- a/ipsuite/data_loading/add_data_h5md.py
+++ b/ipsuite/data_loading/add_data_h5md.py
@@ -1,7 +1,6 @@
 """Load Data directly from a H5MD trajectory file."""
 import functools
 import typing
-import uuid
 
 import ase
 import h5py
@@ -15,11 +14,10 @@ class AddDataH5MD(base.IPSNode):
     """Load Data directly from a H5MD trajectory file."""
 
     file = zntrack.dvc.deps()
-    _hash = zntrack.zn.outs()
     _atoms = None
 
     def run(self):
-        self._hash = str(uuid.uuid4())  # we must have an output
+        pass
 
     @property
     def atoms(self) -> typing.List[ase.Atoms]:

From 9c01e398cbd239ab9d94e2ea6e0196510c44f515 Mon Sep 17 00:00:00 2001
From: PythonFZ <fabian.zills@web.de>
Date: Mon, 31 Jul 2023 15:14:28 +0200
Subject: [PATCH 5/6] apax update

---
 poetry.lock | 139 ++++++++++++++++++++++++++--------------------------
 1 file changed, 70 insertions(+), 69 deletions(-)

diff --git a/poetry.lock b/poetry.lock
index be98d842..f9216c78 100644
--- a/poetry.lock
+++ b/poetry.lock
@@ -4,7 +4,7 @@
 name = "absl-py"
 version = "1.4.0"
 description = "Abseil Python Common Libraries, see https://github.com/abseil/abseil-py."
-optional = true
+optional = false
 python-versions = ">=3.6"
 files = [
     {file = "absl-py-1.4.0.tar.gz", hash = "sha256:d2c244d01048ba476e7c080bd2c6df5e141d211de80223460d5b3b8a2a58433d"},
@@ -222,7 +222,7 @@ trio = ["trio (<0.22)"]
 name = "apax"
 version = "0.1.0"
 description = "Atomistic Learned Potential Package in JAX"
-optional = true
+optional = false
 python-versions = ">=3.10,<3.12"
 files = []
 develop = false
@@ -233,8 +233,9 @@ chex = "^0.1.5"
 clu = "^0.0.7"
 e3nn-jax = "0.19.1"
 einops = "^0.6.0"
-jax = "^0.4.1"
-jax-md = "^0.2.3"
+jax = "0.4.13"
+jax-md = "0.2.5"
+jaxlib = "0.4.13"
 jaxtyping = "^0.2.8"
 lazy-loader = "^0.2"
 matscipy = "^0.8.0"
@@ -249,7 +250,7 @@ znh5md = "^0.1.7"
 type = "git"
 url = "https://github.com/apax-hub/apax.git"
 reference = "dev"
-resolved_reference = "331ee30a27c816438fdb8a8e1583f2f54b4723f5"
+resolved_reference = "9e5f3eb9107e5ba9a9b9fb7308ce0d94b8b5636d"
 
 [[package]]
 name = "appdirs"
@@ -333,7 +334,7 @@ tests = ["pytest"]
 name = "array-record"
 version = "0.4.0"
 description = "A file format that achieves a new frontier of IO efficiency"
-optional = true
+optional = false
 python-versions = ">=3.8"
 files = [
     {file = "array_record-0.4.0-py310-none-any.whl", hash = "sha256:5470d4e912d1ff3dffb4dc49883740aeecf572f6ba707bb9373325b0aacb6178"},
@@ -400,7 +401,7 @@ test = ["astroid", "pytest"]
 name = "astunparse"
 version = "1.6.3"
 description = "An AST unparser for Python"
-optional = true
+optional = false
 python-versions = "*"
 files = [
     {file = "astunparse-1.6.3-py2.py3-none-any.whl", hash = "sha256:c2652417f2c8b5bb325c885ae329bdf3f86424075c4fd1a128674bc6fba4b8e8"},
@@ -593,7 +594,7 @@ css = ["tinycss2 (>=1.1.0,<1.2)"]
 name = "cached-property"
 version = "1.5.2"
 description = "A decorator for caching properties in classes."
-optional = true
+optional = false
 python-versions = "*"
 files = [
     {file = "cached-property-1.5.2.tar.gz", hash = "sha256:9fa5755838eecbb2d234c3aa390bd80fbd3ac6b6869109bfc1b499f7bd89a130"},
@@ -604,7 +605,7 @@ files = [
 name = "cachetools"
 version = "5.3.1"
 description = "Extensible memoizing collections and decorators"
-optional = true
+optional = false
 python-versions = ">=3.7"
 files = [
     {file = "cachetools-5.3.1-py3-none-any.whl", hash = "sha256:95ef631eeaea14ba2e36f06437f36463aac3a096799e876ee55e5cdccb102590"},
@@ -859,7 +860,7 @@ numpy = "*"
 name = "chex"
 version = "0.1.7"
 description = "Chex: Testing made fun, in JAX!"
-optional = true
+optional = false
 python-versions = ">=3.8"
 files = [
     {file = "chex-0.1.7-py3-none-any.whl", hash = "sha256:9f583015303b1205443843c0b55849bb287f1dfdbd22d9907b1ebb04f964d93e"},
@@ -942,7 +943,7 @@ testing = ["pytest (>=7.2.1)", "pytest-cov (>=4.0.0)", "tox (>=4.4.3)"]
 name = "clu"
 version = "0.0.7"
 description = "Set of libraries for ML training loops in JAX."
-optional = true
+optional = false
 python-versions = "*"
 files = [
     {file = "clu-0.0.7-py3-none-any.whl", hash = "sha256:028cb27b7c1b32a59e969477d3ffe9d6b3e80d4c860ac1195cc9e46eacb0605f"},
@@ -1028,7 +1029,7 @@ six = "*"
 name = "contextlib2"
 version = "21.6.0"
 description = "Backports and enhancements for the contextlib module"
-optional = true
+optional = false
 python-versions = ">=3.6"
 files = [
     {file = "contextlib2-21.6.0-py2.py3-none-any.whl", hash = "sha256:3fbdb64466afd23abaf6c977627b75b6139a5a3e8ce38405c5b413aed7a0471f"},
@@ -1266,7 +1267,7 @@ files = [
 name = "dataclasses"
 version = "0.6"
 description = "A backport of the dataclasses module for Python 3.6"
-optional = true
+optional = false
 python-versions = "*"
 files = [
     {file = "dataclasses-0.6-py3-none-any.whl", hash = "sha256:454a69d788c7fda44efd71e259be79577822f5e3f53f029a22d08004e951dc9f"},
@@ -1365,7 +1366,7 @@ files = [
 name = "dm-haiku"
 version = "0.0.10"
 description = "Haiku is a library for building neural networks in JAX."
-optional = true
+optional = false
 python-versions = "*"
 files = [
     {file = "dm-haiku-0.0.10.tar.gz", hash = "sha256:ca85e0a5eaafb2eb9111b954e56eff1595e55511482434a4d41e7969a0f31a20"},
@@ -1385,7 +1386,7 @@ jax = ["jax (>=0.4.13)", "jaxlib (>=0.4.13)"]
 name = "dm-tree"
 version = "0.1.8"
 description = "Tree is a library for working with nested data structures."
-optional = true
+optional = false
 python-versions = "*"
 files = [
     {file = "dm-tree-0.1.8.tar.gz", hash = "sha256:0fcaabbb14e7980377439e7140bd05552739ca5e515ecb3119f234acee4b9430"},
@@ -1765,7 +1766,7 @@ dev = ["pre-commit", "pytest"]
 name = "e3nn-jax"
 version = "0.19.1"
 description = "Equivariant convolutional neural networks for the group E(3) of 3 dimensional rotations, translations, and mirrors."
-optional = true
+optional = false
 python-versions = ">=3.7"
 files = [
     {file = "e3nn_jax-0.19.1-py3-none-any.whl", hash = "sha256:676ad6e7c1fe67c365342e3455c62593415818732922b1adf7173d4842bfb0da"},
@@ -1786,7 +1787,7 @@ tqdm = "*"
 name = "einops"
 version = "0.6.1"
 description = "A new flavour of deep learning operations"
-optional = true
+optional = false
 python-versions = ">=3.7"
 files = [
     {file = "einops-0.6.1-py3-none-any.whl", hash = "sha256:99149e46cc808956b174932fe563d920db4d6e5dadb8c6ecdaa7483b7ef7cfc3"},
@@ -1797,7 +1798,7 @@ files = [
 name = "etils"
 version = "1.4.0"
 description = "Collection of common python utils"
-optional = true
+optional = false
 python-versions = ">=3.9"
 files = [
     {file = "etils-1.4.0-py3-none-any.whl", hash = "sha256:fd20131e1b134d3ed2d3297e25034b8c796761676b770b4cb5a44f26c73d3edf"},
@@ -1910,7 +1911,7 @@ testing = ["covdefaults (>=2.3)", "coverage (>=7.2.7)", "diff-cover (>=7.5)", "p
 name = "flatbuffers"
 version = "23.5.26"
 description = "The FlatBuffers serialization format for Python"
-optional = true
+optional = false
 python-versions = "*"
 files = [
     {file = "flatbuffers-23.5.26-py2.py3-none-any.whl", hash = "sha256:c0ff356da363087b915fde4b8b45bdda73432fc17cddb3c8157472eab1422ad1"},
@@ -1935,7 +1936,7 @@ six = ">=1.12,<2.0"
 name = "flax"
 version = "0.7.0"
 description = "Flax: A neural network library for JAX designed for flexibility"
-optional = true
+optional = false
 python-versions = "*"
 files = [
     {file = "flax-0.7.0-py3-none-any.whl", hash = "sha256:c63e64124be8011b3d2f65a866d98627a5879f243e18351e85bcd0ab29228fc4"},
@@ -2164,7 +2165,7 @@ files = [
 name = "gast"
 version = "0.4.0"
 description = "Python AST that abstracts the underlying Python version"
-optional = true
+optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
 files = [
     {file = "gast-0.4.0-py3-none-any.whl", hash = "sha256:b7adcdd5adbebf1adf17378da5ba3f543684dbec47b1cda1f3997e573cd542c4"},
@@ -2203,7 +2204,7 @@ gitdb = ">=4.0.1,<5"
 name = "google-auth"
 version = "2.22.0"
 description = "Google Authentication Library"
-optional = true
+optional = false
 python-versions = ">=3.6"
 files = [
     {file = "google-auth-2.22.0.tar.gz", hash = "sha256:164cba9af4e6e4e40c3a4f90a1a6c12ee56f14c0b4868d1ca91b32826ab334ce"},
@@ -2228,7 +2229,7 @@ requests = ["requests (>=2.20.0,<3.0.0.dev0)"]
 name = "google-auth-oauthlib"
 version = "1.0.0"
 description = "Google Authentication Library"
-optional = true
+optional = false
 python-versions = ">=3.6"
 files = [
     {file = "google-auth-oauthlib-1.0.0.tar.gz", hash = "sha256:e375064964820b47221a7e1b7ee1fd77051b6323c3f9e3e19785f78ab67ecfc5"},
@@ -2246,7 +2247,7 @@ tool = ["click (>=6.0.0)"]
 name = "google-pasta"
 version = "0.2.0"
 description = "pasta is an AST-based Python refactoring library"
-optional = true
+optional = false
 python-versions = "*"
 files = [
     {file = "google-pasta-0.2.0.tar.gz", hash = "sha256:c9f2c8dfc8f96d0d5808299920721be30c9eec37f2389f28904f454565c8a16e"},
@@ -2261,7 +2262,7 @@ six = "*"
 name = "googleapis-common-protos"
 version = "1.59.1"
 description = "Common protobufs used in Google APIs"
-optional = true
+optional = false
 python-versions = ">=3.7"
 files = [
     {file = "googleapis-common-protos-1.59.1.tar.gz", hash = "sha256:b35d530fe825fb4227857bc47ad84c33c809ac96f312e13182bdeaa2abe1178a"},
@@ -2295,7 +2296,7 @@ full = ["numpy", "ply"]
 name = "grpcio"
 version = "1.56.2"
 description = "HTTP/2-based RPC framework"
-optional = true
+optional = false
 python-versions = ">=3.7"
 files = [
     {file = "grpcio-1.56.2-cp310-cp310-linux_armv7l.whl", hash = "sha256:bf0b9959e673505ee5869950642428046edb91f99942607c2ecf635f8a4b31c9"},
@@ -2443,7 +2444,7 @@ tifffile = ["tifffile"]
 name = "importlib-resources"
 version = "6.0.0"
 description = "Read resources from Python packages"
-optional = true
+optional = false
 python-versions = ">=3.8"
 files = [
     {file = "importlib_resources-6.0.0-py3-none-any.whl", hash = "sha256:d952faee11004c045f785bb5636e8f885bed30dc3c940d5d42798a2a4541c185"},
@@ -2607,7 +2608,7 @@ tests = ["mypy (==0.971)", "pylint (==2.15.0)", "pytest (==7.2.0)", "pytest-cov
 name = "jax"
 version = "0.4.13"
 description = "Differentiate, compile, and transform Numpy code."
-optional = true
+optional = false
 python-versions = ">=3.8"
 files = [
     {file = "jax-0.4.13.tar.gz", hash = "sha256:03bfe6749dfe647f16f15f6616638adae6c4a7ca7167c75c21961ecfd3a3baaa"},
@@ -2634,13 +2635,13 @@ tpu = ["jaxlib (==0.4.13)", "libtpu-nightly (==0.1.dev20230622)"]
 
 [[package]]
 name = "jax-md"
-version = "0.2.7"
+version = "0.2.5"
 description = "Differentiable, Hardware Accelerated, Molecular Dynamics"
-optional = true
+optional = false
 python-versions = ">=2.7"
 files = [
-    {file = "jax-md-0.2.7.tar.gz", hash = "sha256:b998fa1057f5bd72f6b827795bb0de0a1dbf65eb15d6d8da94f45047a3f91289"},
-    {file = "jax_md-0.2.7-py3-none-any.whl", hash = "sha256:75f7d20f8996191ea510d5e0884ced79f9532ed96eb2582247e18c9268b96a4b"},
+    {file = "jax-md-0.2.5.tar.gz", hash = "sha256:2db242236ea7a1d1f2529c754c6106fc146e9beb7864983aaf695b345c9fa3e9"},
+    {file = "jax_md-0.2.5-py2.py3-none-any.whl", hash = "sha256:8a8b717ae775e2e301aa4b5e0986a4faf1c3dba0de9b04bd29385c7bb655cc19"},
 ]
 
 [package.dependencies]
@@ -2661,7 +2662,7 @@ optax = "*"
 name = "jaxlib"
 version = "0.4.13"
 description = "XLA library for JAX"
-optional = true
+optional = false
 python-versions = ">=3.8"
 files = [
     {file = "jaxlib-0.4.13-cp310-cp310-macosx_10_14_x86_64.whl", hash = "sha256:532ebc4fb11386282ad63b83941d4557f4038c1144acf026f1f8565f64c7e9c0"},
@@ -2694,7 +2695,7 @@ cuda12-pip = ["nvidia-cublas-cu12", "nvidia-cuda-cupti-cu12", "nvidia-cuda-nvcc-
 name = "jaxtyping"
 version = "0.2.20"
 description = "Type annotations and runtime checking for shape and dtype of JAX arrays, and PyTrees."
-optional = true
+optional = false
 python-versions = "~=3.9"
 files = [
     {file = "jaxtyping-0.2.20-py3-none-any.whl", hash = "sha256:7038e71cc9352b67a8673d1fc39b6c7e95a326623a1fd43ee7c56faf20866ab9"},
@@ -2746,7 +2747,7 @@ i18n = ["Babel (>=2.7)"]
 name = "jmp"
 version = "0.0.4"
 description = "JMP is a Mixed Precision library for JAX."
-optional = true
+optional = false
 python-versions = "*"
 files = [
     {file = "jmp-0.0.4-py3-none-any.whl", hash = "sha256:6aa7adbddf2bd574b28c7faf6e81a735eb11f53386447896909c6968dc36807d"},
@@ -2774,7 +2775,7 @@ files = [
 name = "jraph"
 version = "0.0.6.dev0"
 description = "Jraph: A library for Graph Neural Networks in Jax"
-optional = true
+optional = false
 python-versions = ">=3.6"
 files = [
     {file = "jraph-0.0.6.dev0-py3-none-any.whl", hash = "sha256:350fe37bf717f934f1f84fd3370a480b3178bfcb61dfa217c738971308c57625"},
@@ -3114,7 +3115,7 @@ files = [
 name = "keras"
 version = "2.13.1"
 description = "Deep learning for humans."
-optional = true
+optional = false
 python-versions = ">=3.8"
 files = [
     {file = "keras-2.13.1-py3-none-any.whl", hash = "sha256:5ce5f706f779fa7330e63632f327b75ce38144a120376b2ae1917c00fa6136af"},
@@ -3333,7 +3334,7 @@ resolved_reference = "7543f162cfc02b41c1654c73d8c7a393b8b9e9d5"
 name = "markdown"
 version = "3.4.4"
 description = "Python implementation of John Gruber's Markdown."
-optional = true
+optional = false
 python-versions = ">=3.7"
 files = [
     {file = "Markdown-3.4.4-py3-none-any.whl", hash = "sha256:a4c1b65c0957b4bd9e7d86ddc7b3c9868fb9670660f6f99f6d1bca8954d5a941"},
@@ -3482,7 +3483,7 @@ traitlets = "*"
 name = "matscipy"
 version = "0.8.0"
 description = "Generic Python Materials Science tools"
-optional = true
+optional = false
 python-versions = ">=3.7.0"
 files = [
     {file = "matscipy-0.8.0-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:a2793c24058465758ef03747ab2d2d4a5015b96d81401c9f6bd5a7456143390b"},
@@ -3554,7 +3555,7 @@ files = [
 name = "ml-collections"
 version = "0.1.1"
 description = "ML Collections is a library of Python collections designed for ML usecases."
-optional = true
+optional = false
 python-versions = ">=2.6"
 files = [
     {file = "ml_collections-0.1.1.tar.gz", hash = "sha256:3fefcc72ec433aa1e5d32307a3e474bbb67f405be814ea52a2166bfc9dbe68cc"},
@@ -3570,7 +3571,7 @@ six = "*"
 name = "ml-dtypes"
 version = "0.2.0"
 description = ""
-optional = true
+optional = false
 python-versions = ">=3.7"
 files = [
     {file = "ml_dtypes-0.2.0-cp310-cp310-macosx_10_9_universal2.whl", hash = "sha256:df6a76e1c8adf484feb138ed323f9f40a7b6c21788f120f7c78bec20ac37ee81"},
@@ -3619,7 +3620,7 @@ tests = ["pytest (>=4.6)"]
 name = "msgpack"
 version = "1.0.5"
 description = "MessagePack serializer"
-optional = true
+optional = false
 python-versions = "*"
 files = [
     {file = "msgpack-1.0.5-cp310-cp310-macosx_10_9_universal2.whl", hash = "sha256:525228efd79bb831cf6830a732e2e80bc1b05436b086d4264814b4b2955b2fa9"},
@@ -4090,7 +4091,7 @@ files = [
 name = "oauthlib"
 version = "3.2.2"
 description = "A generic, spec-compliant, thorough implementation of the OAuth request-signing logic"
-optional = true
+optional = false
 python-versions = ">=3.6"
 files = [
     {file = "oauthlib-3.2.2-py3-none-any.whl", hash = "sha256:8139f29aac13e25d502680e9e19963e83f16838d48a0d71c287fe40e7067fbca"},
@@ -4155,7 +4156,7 @@ torch = ">=1.8.0"
 name = "optax"
 version = "0.1.7"
 description = "A gradient processing and optimisation library in JAX."
-optional = true
+optional = false
 python-versions = ">=3.8"
 files = [
     {file = "optax-0.1.7-py3-none-any.whl", hash = "sha256:2b85115f2ae7adafe5fd9abf4b275e53057765361511c8ccc868e70158458494"},
@@ -4179,7 +4180,7 @@ test = ["dm-haiku (>=0.0.3)", "dm-tree (>=0.1.7)", "flax (==0.5.3)"]
 name = "orbax-checkpoint"
 version = "0.3.0"
 description = "Orbax Checkpoint"
-optional = true
+optional = false
 python-versions = ">=3.9"
 files = [
     {file = "orbax_checkpoint-0.3.0-py3-none-any.whl", hash = "sha256:e4fe208883766814e2bc51de04f2a7ad46e78dc54bb28a6d871c848f1e9f2417"},
@@ -4536,7 +4537,7 @@ twisted = ["twisted"]
 name = "promise"
 version = "2.3"
 description = "Promises/A+ implementation for Python"
-optional = true
+optional = false
 python-versions = "*"
 files = [
     {file = "promise-2.3.tar.gz", hash = "sha256:dfd18337c523ba4b6a58801c164c1904a9d4d1b1747c7d5dbf45b693a49d93d0"},
@@ -4566,7 +4567,7 @@ wcwidth = "*"
 name = "protobuf"
 version = "4.23.4"
 description = ""
-optional = true
+optional = false
 python-versions = ">=3.7"
 files = [
     {file = "protobuf-4.23.4-cp310-abi3-win32.whl", hash = "sha256:5fea3c64d41ea5ecf5697b83e41d09b9589e6f20b677ab3c48e5f242d9b7897b"},
@@ -4639,7 +4640,7 @@ tests = ["pytest"]
 name = "pyasn1"
 version = "0.5.0"
 description = "Pure-Python implementation of ASN.1 types and DER/BER/CER codecs (X.208)"
-optional = true
+optional = false
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*,>=2.7"
 files = [
     {file = "pyasn1-0.5.0-py2.py3-none-any.whl", hash = "sha256:87a2121042a1ac9358cabcaf1d07680ff97ee6404333bacca15f76aa8ad01a57"},
@@ -4650,7 +4651,7 @@ files = [
 name = "pyasn1-modules"
 version = "0.3.0"
 description = "A collection of ASN.1-based protocols modules"
-optional = true
+optional = false
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*,>=2.7"
 files = [
     {file = "pyasn1_modules-0.3.0-py2.py3-none-any.whl", hash = "sha256:d3ccd6ed470d9ffbc716be08bd90efbd44d0734bc9303818f7336070984a162d"},
@@ -5257,7 +5258,7 @@ use-chardet-on-py3 = ["chardet (>=3.0.2,<6)"]
 name = "requests-oauthlib"
 version = "1.3.1"
 description = "OAuthlib authentication support for Requests."
-optional = true
+optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
 files = [
     {file = "requests-oauthlib-1.3.1.tar.gz", hash = "sha256:75beac4a47881eeb94d5ea5d6ad31ef88856affe2332b9aafb52c6452ccf0d7a"},
@@ -5424,7 +5425,7 @@ files = [
 name = "rsa"
 version = "4.9"
 description = "Pure-Python RSA implementation"
-optional = true
+optional = false
 python-versions = ">=3.6,<4"
 files = [
     {file = "rsa-4.9-py3-none-any.whl", hash = "sha256:90260d9058e514786967344d0ef75fa8727eed8a7d2e43ce9f4bcf1b536174f7"},
@@ -5853,7 +5854,7 @@ widechars = ["wcwidth"]
 name = "tensorboard"
 version = "2.13.0"
 description = "TensorBoard lets you watch Tensors Flow"
-optional = true
+optional = false
 python-versions = ">=3.8"
 files = [
     {file = "tensorboard-2.13.0-py3-none-any.whl", hash = "sha256:ab69961ebddbddc83f5fa2ff9233572bdad5b883778c35e4fe94bf1798bd8481"},
@@ -5877,7 +5878,7 @@ wheel = ">=0.26"
 name = "tensorboard-data-server"
 version = "0.7.1"
 description = "Fast data loading for TensorBoard"
-optional = true
+optional = false
 python-versions = ">=3.7"
 files = [
     {file = "tensorboard_data_server-0.7.1-py3-none-any.whl", hash = "sha256:9938bd39f5041797b33921066fba0eab03a0dd10d1887a05e62ae58841ad4c3f"},
@@ -5889,7 +5890,7 @@ files = [
 name = "tensorflow"
 version = "2.13.0"
 description = "TensorFlow is an open source machine learning framework for everyone."
-optional = true
+optional = false
 python-versions = ">=3.8"
 files = [
     {file = "tensorflow-2.13.0-cp310-cp310-macosx_10_15_x86_64.whl", hash = "sha256:89125443e998548059c4e4a129dfab2b1ff7f2fd4c8eaed97842c3cd9b663101"},
@@ -5941,7 +5942,7 @@ wrapt = ">=1.11.0"
 name = "tensorflow-cpu"
 version = "2.13.0"
 description = "TensorFlow is an open source machine learning framework for everyone."
-optional = true
+optional = false
 python-versions = ">=3.8"
 files = [
     {file = "tensorflow_cpu-2.13.0-cp310-cp310-macosx_10_15_x86_64.whl", hash = "sha256:a83f9c80b126fd28e2c7124da4b90b8bdd34f0572b2535707cc7d5abe5a686ca"},
@@ -5985,7 +5986,7 @@ wrapt = ">=1.11.0"
 name = "tensorflow-datasets"
 version = "4.9.2"
 description = "tensorflow/datasets is a library of datasets ready to use with TensorFlow."
-optional = true
+optional = false
 python-versions = ">=3.8"
 files = [
     {file = "tensorflow-datasets-4.9.2.tar.gz", hash = "sha256:09c6f59cf89b247328ce7b0c623ac37c0d10b7c23d53dfa39a58ecd0e88823e1"},
@@ -6050,7 +6051,7 @@ youtube-vis = ["pycocotools"]
 name = "tensorflow-estimator"
 version = "2.13.0"
 description = "TensorFlow Estimator."
-optional = true
+optional = false
 python-versions = ">=3.7"
 files = [
     {file = "tensorflow_estimator-2.13.0-py2.py3-none-any.whl", hash = "sha256:6f868284eaa654ae3aa7cacdbef2175d0909df9fcf11374f5166f8bf475952aa"},
@@ -6060,7 +6061,7 @@ files = [
 name = "tensorflow-io-gcs-filesystem"
 version = "0.32.0"
 description = "TensorFlow IO"
-optional = true
+optional = false
 python-versions = ">=3.7, <3.12"
 files = [
     {file = "tensorflow_io_gcs_filesystem-0.32.0-cp310-cp310-macosx_10_14_x86_64.whl", hash = "sha256:74a7e25e83d4117a7ebb09a3f247553a5497393ab48c3ee0cf0d17b405026817"},
@@ -6090,7 +6091,7 @@ tensorflow-rocm = ["tensorflow-rocm (>=2.12.0,<2.13.0)"]
 name = "tensorflow-metadata"
 version = "1.13.1"
 description = "Library and standards for schema and statistics."
-optional = true
+optional = false
 python-versions = ">=3.8,<4"
 files = [
     {file = "tensorflow_metadata-1.13.1-py3-none-any.whl", hash = "sha256:8abdead4cae3d7258f815d9f63a146ae1e31853ac07ba271db0ea9dfb0a6b317"},
@@ -6105,7 +6106,7 @@ protobuf = ">=3.20.3,<5"
 name = "tensorstore"
 version = "0.1.40"
 description = "Read and write large, multi-dimensional arrays"
-optional = true
+optional = false
 python-versions = ">=3.8"
 files = [
     {file = "tensorstore-0.1.40-cp310-cp310-macosx_10_14_x86_64.whl", hash = "sha256:9a184f8b3a6392e1b7f209bd8932328a2df086625f75d8bc9d21ddff6e909614"},
@@ -6134,7 +6135,7 @@ numpy = ">=1.16.0"
 name = "termcolor"
 version = "2.3.0"
 description = "ANSI color formatting for output in terminal"
-optional = true
+optional = false
 python-versions = ">=3.7"
 files = [
     {file = "termcolor-2.3.0-py3-none-any.whl", hash = "sha256:3afb05607b89aed0ffe25202399ee0867ad4d3cb4180d98aaf8eefa6a5f7d475"},
@@ -6197,7 +6198,7 @@ test = ["flake8", "isort", "pytest"]
 name = "toml"
 version = "0.10.2"
 description = "Python Library for Tom's Obvious, Minimal Language"
-optional = true
+optional = false
 python-versions = ">=2.6, !=3.0.*, !=3.1.*, !=3.2.*"
 files = [
     {file = "toml-0.10.2-py2.py3-none-any.whl", hash = "sha256:806143ae5bfb6a3c6e736a764057db0e6a0e05e338b5630894a5f779cabb4f9b"},
@@ -6230,7 +6231,7 @@ files = [
 name = "toolz"
 version = "0.12.0"
 description = "List processing tools and functional utilities"
-optional = true
+optional = false
 python-versions = ">=3.5"
 files = [
     {file = "toolz-0.12.0-py3-none-any.whl", hash = "sha256:2059bd4148deb1884bb0eb770a3cde70e7f954cfbbdc2285f1f2de01fd21eb6f"},
@@ -6371,7 +6372,7 @@ test = ["pytest"]
 name = "typeguard"
 version = "4.0.0"
 description = "Run-time type checker for Python"
-optional = true
+optional = false
 python-versions = ">=3.7.4"
 files = [
     {file = "typeguard-4.0.0-py3-none-any.whl", hash = "sha256:c4a40af0ba8a41077221271b46d0a6d8d46045443e4d887887c69254ca861952"},
@@ -6539,7 +6540,7 @@ test = ["websockets"]
 name = "werkzeug"
 version = "2.3.6"
 description = "The comprehensive WSGI web application library."
-optional = true
+optional = false
 python-versions = ">=3.8"
 files = [
     {file = "Werkzeug-2.3.6-py3-none-any.whl", hash = "sha256:935539fa1413afbb9195b24880778422ed620c0fc09670945185cce4d91a8890"},
@@ -6556,7 +6557,7 @@ watchdog = ["watchdog (>=2.3)"]
 name = "wheel"
 version = "0.41.0"
 description = "A built-package format for Python"
-optional = true
+optional = false
 python-versions = ">=3.7"
 files = [
     {file = "wheel-0.41.0-py3-none-any.whl", hash = "sha256:7e9be3bbd0078f6147d82ed9ed957e323e7708f57e134743d2edef3a7b7972a9"},
@@ -6581,7 +6582,7 @@ files = [
 name = "wrapt"
 version = "1.15.0"
 description = "Module for decorators, wrappers and monkey patching."
-optional = true
+optional = false
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,>=2.7"
 files = [
     {file = "wrapt-1.15.0-cp27-cp27m-macosx_10_9_x86_64.whl", hash = "sha256:ca1cccf838cd28d5a0883b342474c630ac48cac5df0ee6eacc9c7290f76b11c1"},
@@ -6874,7 +6875,7 @@ test = ["zope.testing"]
 name = "zipp"
 version = "3.16.2"
 description = "Backport of pathlib-compatible object wrapper for zip files"
-optional = true
+optional = false
 python-versions = ">=3.8"
 files = [
     {file = "zipp-3.16.2-py3-none-any.whl", hash = "sha256:679e51dd4403591b2d6838a48de3d283f3d188412a9782faadf845f298736ba0"},
@@ -6980,4 +6981,4 @@ nequip = ["nequip"]
 [metadata]
 lock-version = "2.0"
 python-versions = ">=3.10,<3.11"
-content-hash = "993cbc8b75d897a426b48e9fe5c10307b9c17e42d50e52c60dfd774d0a544ce8"
+content-hash = "b93565270fbdaf621ccbcdd0fff472436036560ae5fcebcad7da8dd7ae76ad62"

From 6d7588e8903190da7360693fc99fa5d278e0613e Mon Sep 17 00:00:00 2001
From: PythonFZ <fabian.zills@web.de>
Date: Mon, 31 Jul 2023 18:18:10 +0200
Subject: [PATCH 6/6] allow to continue on error

---
 .github/workflows/tests.yaml | 1 +
 1 file changed, 1 insertion(+)

diff --git a/.github/workflows/tests.yaml b/.github/workflows/tests.yaml
index d66d2b02..b51d1801 100644
--- a/.github/workflows/tests.yaml
+++ b/.github/workflows/tests.yaml
@@ -82,6 +82,7 @@ jobs:
           git config --global user.email johndoe@example.com
           git config --global init.defaultBranch "main"
       - name: prepare repo
+        continue-on-error: true
         run: |
           git clone https://github.com/PythonFZ/IPS-Examples
           cd IPS-Examples