From 90f85301dff3895abd8e5d7b57a896005d843673 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Sun, 10 Sep 2023 00:30:29 +0200
Subject: [PATCH] Release v0.2.4 (#37)

* update changelog

* update version string

* update docs version string

---------

Co-authored-by: Arian Jamasb <arian.jamasb@roche.com>
---
 CHANGELOG.md        |   2 +-
 docs/source/conf.py |   2 +-
 poetry.lock         | 459 ++++++++++++++++++++------------------------
 pyproject.toml      |   4 +-
 4 files changed, 210 insertions(+), 257 deletions(-)

diff --git a/CHANGELOG.md b/CHANGELOG.md
index d216f915..d082130a 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -1,4 +1,4 @@
-### 0.2.4
+### 0.2.4 (10/09/2024)
 
 * Fixes error in Metal3D processed download link ([#28](https://github.com/a-r-j/ProteinWorkshop/pull/28))
 * Fixes typo in wandb run name setting ([#30](https://github.com/a-r-j/ProteinWorkshop/pull/30))
diff --git a/docs/source/conf.py b/docs/source/conf.py
index 5051fafd..6c1a5c27 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -9,7 +9,7 @@
 # https://www.sphinx-doc.org/en/master/usage/configuration.html#project-information
 project = "Protein Workshop"
 author = "Arian R. Jamasb"
-release = "0.2.3"
+release = "0.2.4"
 copyright = f"{datetime.datetime.now().year}, {author}"
 
 # -- General configuration ---------------------------------------------------
diff --git a/poetry.lock b/poetry.lock
index bc87218c..af26e9d8 100644
--- a/poetry.lock
+++ b/poetry.lock
@@ -213,17 +213,17 @@ python-dateutil = ">=2.7.0"
 
 [[package]]
 name = "asttokens"
-version = "2.2.1"
+version = "2.4.0"
 description = "Annotate AST trees with source code positions"
 optional = false
 python-versions = "*"
 files = [
-    {file = "asttokens-2.2.1-py2.py3-none-any.whl", hash = "sha256:6b0ac9e93fb0335014d382b8fa9b3afa7df546984258005da0b9e7095b3deb1c"},
-    {file = "asttokens-2.2.1.tar.gz", hash = "sha256:4622110b2a6f30b77e1473affaa97e711bc2f07d3f10848420ff1898edbe94f3"},
+    {file = "asttokens-2.4.0-py2.py3-none-any.whl", hash = "sha256:cf8fc9e61a86461aa9fb161a14a0841a03c405fa829ac6b202670b3495d2ce69"},
+    {file = "asttokens-2.4.0.tar.gz", hash = "sha256:2e0171b991b2c959acc6c49318049236844a5da1d65ba2672c4880c1c894834e"},
 ]
 
 [package.dependencies]
-six = "*"
+six = ">=1.12.0"
 
 [package.extras]
 test = ["astroid", "pytest"]
@@ -445,33 +445,13 @@ test = ["pytest"]
 
 [[package]]
 name = "black"
-version = "23.7.0"
+version = "23.9.0"
 description = "The uncompromising code formatter."
 optional = false
 python-versions = ">=3.8"
 files = [
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-    {file = "black-23.7.0-cp310-cp310-macosx_10_16_universal2.whl", hash = "sha256:552513d5cd5694590d7ef6f46e1767a4df9af168d449ff767b13b084c020e63f"},
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-    {file = "black-23.7.0-cp38-cp38-win_amd64.whl", hash = "sha256:27eb7a0c71604d5de083757fbdb245b1a4fae60e9596514c6ec497eb63f95320"},
-    {file = "black-23.7.0-cp39-cp39-macosx_10_16_arm64.whl", hash = "sha256:8417dbd2f57b5701492cd46edcecc4f9208dc75529bcf76c514864e48da867d9"},
-    {file = "black-23.7.0-cp39-cp39-macosx_10_16_universal2.whl", hash = "sha256:47e56d83aad53ca140da0af87678fb38e44fd6bc0af71eebab2d1f59b1acf1d3"},
-    {file = "black-23.7.0-cp39-cp39-macosx_10_16_x86_64.whl", hash = "sha256:25cc308838fe71f7065df53aedd20327969d05671bac95b38fdf37ebe70ac087"},
-    {file = "black-23.7.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:642496b675095d423f9b8448243336f8ec71c9d4d57ec17bf795b67f08132a91"},
-    {file = "black-23.7.0-cp39-cp39-win_amd64.whl", hash = "sha256:ad0014efc7acf0bd745792bd0d8857413652979200ab924fbf239062adc12491"},
-    {file = "black-23.7.0-py3-none-any.whl", hash = "sha256:9fd59d418c60c0348505f2ddf9609c1e1de8e7493eab96198fc89d9f865e7a96"},
-    {file = "black-23.7.0.tar.gz", hash = "sha256:022a582720b0d9480ed82576c920a8c1dde97cc38ff11d8d8859b3bd6ca9eedb"},
+    {file = "black-23.9.0-py3-none-any.whl", hash = "sha256:9366c1f898981f09eb8da076716c02fd021f5a0e63581c66501d68a2e4eab844"},
+    {file = "black-23.9.0.tar.gz", hash = "sha256:3511c8a7e22ce653f89ae90dfddaf94f3bb7e2587a245246572d3b9c92adf066"},
 ]
 
 [package.dependencies]
@@ -481,7 +461,7 @@ packaging = ">=22.0"
 pathspec = ">=0.9.0"
 platformdirs = ">=2"
 tomli = {version = ">=1.1.0", markers = "python_version < \"3.11\""}
-typing-extensions = {version = ">=3.10.0.0", markers = "python_version < \"3.10\""}
+typing-extensions = {version = ">=4.0.1", markers = "python_version < \"3.11\""}
 
 [package.extras]
 colorama = ["colorama (>=0.4.3)"]
@@ -735,28 +715,21 @@ colorama = {version = "*", markers = "platform_system == \"Windows\""}
 
 [[package]]
 name = "cmake"
-version = "3.27.2"
+version = "3.27.4.1"
 description = "CMake is an open-source, cross-platform family of tools designed to build, test and package software"
 optional = false
 python-versions = "*"
 files = [
-    {file = "cmake-3.27.2-py2.py3-none-macosx_10_10_universal2.macosx_10_10_x86_64.macosx_11_0_arm64.macosx_11_0_universal2.whl", hash = "sha256:96ac856c4d6b2104408848f0005a8ab2229d4135b171ea9a03e8c33039ede420"},
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 ]
 
 [package.extras]
@@ -912,20 +885,20 @@ files = [
 
 [[package]]
 name = "deepdiff"
-version = "6.3.1"
+version = "6.4.1"
 description = "Deep Difference and Search of any Python object/data. Recreate objects by adding adding deltas to each other."
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "deepdiff-6.3.1-py3-none-any.whl", hash = "sha256:eae2825b2e1ea83df5fc32683d9aec5a56e38b756eb2b280e00863ce4def9d33"},
-    {file = "deepdiff-6.3.1.tar.gz", hash = "sha256:e8c1bb409a2caf1d757799add53b3a490f707dd792ada0eca7cac1328055097a"},
+    {file = "deepdiff-6.4.1-py3-none-any.whl", hash = "sha256:065cdbbe62f66447cf507b32351579ffcc4a80bb28f567ac27e92a21ddca99f9"},
+    {file = "deepdiff-6.4.1.tar.gz", hash = "sha256:744c4e54ff83eaa77a995b3311dccdce6ee67773335a34a5ef269fa048005457"},
 ]
 
 [package.dependencies]
 ordered-set = ">=4.0.2,<4.2.0"
 
 [package.extras]
-cli = ["click (==8.1.3)", "pyyaml (==6.0)"]
+cli = ["click (==8.1.3)", "pyyaml (==6.0.1)"]
 optimize = ["orjson"]
 
 [[package]]
@@ -1315,13 +1288,13 @@ files = [
 
 [[package]]
 name = "fsspec"
-version = "2023.6.0"
+version = "2023.9.0"
 description = "File-system specification"
 optional = false
 python-versions = ">=3.8"
 files = [
-    {file = "fsspec-2023.6.0-py3-none-any.whl", hash = "sha256:1cbad1faef3e391fba6dc005ae9b5bdcbf43005c9167ce78c915549c352c869a"},
-    {file = "fsspec-2023.6.0.tar.gz", hash = "sha256:d0b2f935446169753e7a5c5c55681c54ea91996cc67be93c39a154fb3a2742af"},
+    {file = "fsspec-2023.9.0-py3-none-any.whl", hash = "sha256:d55b9ab2a4c1f2b759888ae9f93e40c2aa72c0808132e87e282b549f9e6c4254"},
+    {file = "fsspec-2023.9.0.tar.gz", hash = "sha256:4dbf0fefee035b7c6d3bbbe6bc99b2f201f40d4dca95b67c2b719be77bcd917f"},
 ]
 
 [package.dependencies]
@@ -1385,42 +1358,46 @@ speedup = ["python-levenshtein (>=0.12)"]
 
 [[package]]
 name = "gevent"
-version = "23.7.0"
+version = "23.9.0.post1"
 description = "Coroutine-based network library"
 optional = false
 python-versions = ">=3.8"
 files = [
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 optional = false
 python-versions = ">=3.9"
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 backcall = "*"
 colorama = {version = "*", markers = "sys_platform == \"win32\""}
 decorator = "*"
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 jedi = ">=0.16"
 matplotlib-inline = "*"
 pexpect = {version = ">4.3", markers = "sys_platform != \"win32\""}
@@ -1828,9 +1802,9 @@ traitlets = ">=5"
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 nbconvert = ["nbconvert"]
 nbformat = ["nbformat"]
@@ -2280,13 +2254,13 @@ files = [
 
 [[package]]
 name = "loguru"
-version = "0.7.0"
+version = "0.7.1"
 description = "Python logging made (stupidly) simple"
 optional = false
 python-versions = ">=3.5"
 files = [
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 ]
 
 [package.dependencies]
@@ -2294,7 +2268,7 @@ colorama = {version = ">=0.3.4", markers = "sys_platform == \"win32\""}
 win32-setctime = {version = ">=1.0.0", markers = "sys_platform == \"win32\""}
 
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 [[package]]
 name = "looseversion"
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@@ -3584,13 +3548,13 @@ files = [
 
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 python-versions = ">=3.8"
 files = [
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 [package.dependencies]
@@ -3616,24 +3580,24 @@ wcwidth = "*"
 
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 python-versions = ">=3.7"
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 ]
 
 [[package]]
@@ -3850,13 +3814,13 @@ tqdm = "*"
 
 [[package]]
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-version = "7.4.0"
+version = "7.4.2"
 description = "pytest: simple powerful testing with Python"
 optional = false
 python-versions = ">=3.7"
 files = [
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 [package.dependencies]
@@ -3957,13 +3921,13 @@ test = ["cloudpickle (>=1.3)", "coverage (==7.3.0)", "fastapi (<0.100.0)", "onnx
 
 [[package]]
 name = "pytz"
-version = "2023.3"
+version = "2023.3.post1"
 description = "World timezone definitions, modern and historical"
 optional = false
 python-versions = "*"
 files = [
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+    {file = "rpds_py-0.10.2.tar.gz", hash = "sha256:289073f68452b96e70990085324be7223944c7409973d13ddfe0eea1c1b5663b"},
 ]
 
 [[package]]
@@ -4646,19 +4600,19 @@ test = ["pytest"]
 
 [[package]]
 name = "setuptools"
-version = "68.1.2"
+version = "68.2.0"
 description = "Easily download, build, install, upgrade, and uninstall Python packages"
 optional = false
 python-versions = ">=3.8"
 files = [
-    {file = "setuptools-68.1.2-py3-none-any.whl", hash = "sha256:3d8083eed2d13afc9426f227b24fd1659489ec107c0e86cec2ffdde5c92e790b"},
-    {file = "setuptools-68.1.2.tar.gz", hash = "sha256:3d4dfa6d95f1b101d695a6160a7626e15583af71a5f52176efa5d39a054d475d"},
+    {file = "setuptools-68.2.0-py3-none-any.whl", hash = "sha256:af3d5949030c3f493f550876b2fd1dd5ec66689c4ee5d5344f009746f71fd5a8"},
+    {file = "setuptools-68.2.0.tar.gz", hash = "sha256:00478ca80aeebeecb2f288d3206b0de568df5cd2b8fada1209843cc9a8d88a48"},
 ]
 
 [package.extras]
-docs = ["furo", "jaraco.packaging (>=9.3)", "jaraco.tidelift (>=1.4)", "pygments-github-lexers (==0.0.5)", "rst.linker (>=1.9)", "sphinx (>=3.5,<=7.1.2)", "sphinx-favicon", "sphinx-hoverxref (<2)", "sphinx-inline-tabs", "sphinx-lint", "sphinx-notfound-page (==0.8.3)", "sphinx-reredirects", "sphinxcontrib-towncrier"]
+docs = ["furo", "jaraco.packaging (>=9.3)", "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 (>=1,<2)", "sphinx-reredirects", "sphinxcontrib-towncrier"]
 testing = ["build[virtualenv]", "filelock (>=3.4.0)", "flake8-2020", "ini2toml[lite] (>=0.9)", "jaraco.develop (>=7.21)", "jaraco.envs (>=2.2)", "jaraco.path (>=3.2.0)", "pip (>=19.1)", "pytest (>=6)", "pytest-black (>=0.3.7)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=2.2)", "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"]
+testing-integration = ["build[virtualenv]", "filelock (>=3.4.0)", "jaraco.envs (>=2.2)", "jaraco.path (>=3.2.0)", "packaging", "pytest", "pytest-enabler", "pytest-xdist", "tomli", "virtualenv (>=13.0.0)", "wheel"]
 
 [[package]]
 name = "six"
@@ -4706,13 +4660,13 @@ files = [
 
 [[package]]
 name = "soupsieve"
-version = "2.4.1"
+version = "2.5"
 description = "A modern CSS selector implementation for Beautiful Soup."
 optional = false
-python-versions = ">=3.7"
+python-versions = ">=3.8"
 files = [
-    {file = "soupsieve-2.4.1-py3-none-any.whl", hash = "sha256:1c1bfee6819544a3447586c889157365a27e10d88cde3ad3da0cf0ddf646feb8"},
-    {file = "soupsieve-2.4.1.tar.gz", hash = "sha256:89d12b2d5dfcd2c9e8c22326da9d9aa9cb3dfab0a83a024f05704076ee8d35ea"},
+    {file = "soupsieve-2.5-py3-none-any.whl", hash = "sha256:eaa337ff55a1579b6549dc679565eac1e3d000563bcb1c8ab0d0fefbc0c2cdc7"},
+    {file = "soupsieve-2.5.tar.gz", hash = "sha256:5663d5a7b3bfaeee0bc4372e7fc48f9cff4940b3eec54a6451cc5299f1097690"},
 ]
 
 [[package]]
@@ -5390,13 +5344,13 @@ standard = ["colorama (>=0.4)", "httptools (>=0.5.0)", "python-dotenv (>=0.13)",
 
 [[package]]
 name = "wandb"
-version = "0.15.9"
-description = "A CLI and library for interacting with the Weights and Biases API."
+version = "0.15.10"
+description = "A CLI and library for interacting with the Weights & Biases API."
 optional = false
 python-versions = ">=3.6"
 files = [
-    {file = "wandb-0.15.9-py3-none-any.whl", hash = "sha256:879365e5fcd00444874785b02f56f25973e7064420d9de3cc08a9948ecdf565b"},
-    {file = "wandb-0.15.9.tar.gz", hash = "sha256:3c41f59e72f3116177705d88d6049f443e238fa1451d1dda6fa89e055caf230f"},
+    {file = "wandb-0.15.10-py3-none-any.whl", hash = "sha256:bc810879fecd1b62ccd498658e55ade3702939090a94b99418630e77e1f43d50"},
+    {file = "wandb-0.15.10.tar.gz", hash = "sha256:5ce6d2d6be904da726b591a19ac22d2e71aa4b6a9ed450d8cd817d1712969b13"},
 ]
 
 [package.dependencies]
@@ -5422,7 +5376,6 @@ async = ["httpx (>=0.22.0)"]
 aws = ["boto3"]
 azure = ["azure-identity", "azure-storage-blob"]
 gcp = ["google-cloud-storage"]
-grpc = ["grpcio (>=1.27.2)"]
 kubeflow = ["google-cloud-storage", "kubernetes", "minio", "sh"]
 launch = ["awscli", "azure-containerregistry", "azure-identity", "azure-storage-blob", "boto3", "botocore", "chardet", "google-auth", "google-cloud-artifact-registry", "google-cloud-compute", "google-cloud-storage", "iso8601", "kubernetes", "nbconvert", "nbformat", "optuna", "typing-extensions"]
 media = ["bokeh", "moviepy", "numpy", "pillow", "plotly", "rdkit-pypi", "soundfile"]
diff --git a/pyproject.toml b/pyproject.toml
index 7feb956c..2ef54c01 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -1,6 +1,6 @@
 [tool.poetry]
 name = "proteinworkshop"
-version = "0.2.3"
+version = "0.2.4"
 description = ""
 authors = ["Arian Jamasb <arian@jamasb.io>"]
 readme = "README.md"
@@ -136,4 +136,4 @@ line_length = 79 # match our custom config above
 multi_line_output = 3
 float_to_top = true
 use_parentheses = true
-skip_glob = "**/*.pyx"
\ No newline at end of file
+skip_glob = "**/*.pyx"