Update locks

conda-lock.yml

@@ -2877,39 +2877,39 @@ package:
   category: main
   optional: false
 - name: pycparser
-  version: '2.21'
+  version: '2.22'
   manager: conda
   platform: linux-64
   dependencies:
-    python: 2.7.*|>=3.4
-  url: https://conda.anaconda.org/conda-forge/noarch/pycparser-2.21-pyhd8ed1ab_0.tar.bz2
+    python: '>=3.8'
+  url: https://conda.anaconda.org/conda-forge/noarch/pycparser-2.22-pyhd8ed1ab_0.conda
   hash:
-    md5: 076becd9e05608f8dc72757d5f3a91ff
-    sha256: 74c63fd03f1f1ea2b54e8bc529fd1a600aaafb24027b738d0db87909ee3a33dc
+    md5: 844d9eb3b43095b031874477f7d70088
+    sha256: 406001ebf017688b1a1554b49127ca3a4ac4626ec0fd51dc75ffa4415b720b64
   category: main
   optional: false
 - name: pycparser
-  version: '2.21'
+  version: '2.22'
   manager: conda
   platform: osx-64
   dependencies:
-    python: 2.7.*|>=3.4
-  url: https://conda.anaconda.org/conda-forge/noarch/pycparser-2.21-pyhd8ed1ab_0.tar.bz2
+    python: '>=3.8'
+  url: https://conda.anaconda.org/conda-forge/noarch/pycparser-2.22-pyhd8ed1ab_0.conda
   hash:
-    md5: 076becd9e05608f8dc72757d5f3a91ff
-    sha256: 74c63fd03f1f1ea2b54e8bc529fd1a600aaafb24027b738d0db87909ee3a33dc
+    md5: 844d9eb3b43095b031874477f7d70088
+    sha256: 406001ebf017688b1a1554b49127ca3a4ac4626ec0fd51dc75ffa4415b720b64
   category: main
   optional: false
 - name: pycparser
-  version: '2.21'
+  version: '2.22'
   manager: conda
   platform: win-64
   dependencies:
-    python: 2.7.*|>=3.4
-  url: https://conda.anaconda.org/conda-forge/noarch/pycparser-2.21-pyhd8ed1ab_0.tar.bz2
+    python: '>=3.8'
+  url: https://conda.anaconda.org/conda-forge/noarch/pycparser-2.22-pyhd8ed1ab_0.conda
   hash:
-    md5: 076becd9e05608f8dc72757d5f3a91ff
-    sha256: 74c63fd03f1f1ea2b54e8bc529fd1a600aaafb24027b738d0db87909ee3a33dc
+    md5: 844d9eb3b43095b031874477f7d70088
+    sha256: 406001ebf017688b1a1554b49127ca3a4ac4626ec0fd51dc75ffa4415b720b64
   category: main
   optional: false
 - name: pydantic

environment.yml

@@ -1,5 +1,6 @@
 name: subpex-dev
 channels:
+  - conda-forge
   - defaults
 dependencies:
   - python=3.12

pyproject.toml

@@ -182,81 +182,84 @@ show_missing = true
 
 ["tool.poetry.group.conda.dependencies"]
 appdirs = "^1.4.4"
-Brotli = "^1.0.9"
+Brotli = "^1.1.0"
 build = "^1.2.1"
 CacheControl = "^0.14.0"
 cachy = "^0.3.0"
 certifi = "^2024.2.2"
 cffi = "^1.16.0"
 cfgv = "^3.3.1"
-charset-normalizer = "^2.0.4"
+charset-normalizer = "^3.3.2"
 cleo = "^2.1.0"
 click = "^8.1.7"
-click-default-group = "^1.2.2"
+click-default-group = "^1.2.4"
 clikit = "^0.6.2"
 colorama = "^0.4.6"
 conda_lock = "^2.5.6"
 conda_poetry_liaison = "^0.1.2"
 crashtest = "^0.4.1"
 cryptography = "^42.0.5"
-distlib = "^0.3.6"
-dulwich = "^0.21.3"
+distlib = "^0.3.8"
+dulwich = "^0.21.7"
 ensureconda = "^1.4.4"
 fastjsonschema = "^2.19.1"
-filelock = "^3.13.1"
-gitdb = "^4.0.7"
-GitPython = "^3.1.37"
+filelock = "^3.13.3"
+gitdb = "^4.0.11"
+GitPython = "^3.1.42"
 html5lib = "^1.1"
 identify = "^2.5.35"
-idna = "^3.4"
+idna = "^3.6"
 importlib_metadata = "^7.1.0"
+importlib_resources = "^6.4.0"
 installer = "^0.7.0"
-"jaraco.classes" = "^3.2.1"
-jeepney = "^0.7.1"
+"jaraco.classes" = "^3.3.1"
+"jaraco.context" = "^4.3.0"
+"jaraco.functools" = "^4.0.0"
+jeepney = "^0.8.0"
 Jinja2 = "^3.1.3"
 keyring = "^24.3.1"
-MarkupSafe = "^2.1.3"
-more-itertools = "^10.1.0"
-msgpack = "^1.0.3"
+MarkupSafe = "^2.1.5"
+more-itertools = "^10.2.0"
+msgpack = "^1.0.7"
 nodeenv = "^1.8.0"
 numpy = "^1.26.4"
-packaging = "^23.2"
+packaging = "^24.0"
 pastel = "^0.2.1"
 pexpect = "^4.9.0"
-pip = "^23.3.1"
-pkginfo = "^1.9.6"
-platformdirs = "^3.11.0"
+pip = "^24.0"
+pkginfo = "^1.10.0"
+platformdirs = "^4.2.0"
 poetry = "^1.8.2"
 poetry-core = "^1.9.0"
 poetry-plugin-export = "^1.7.1"
 pre_commit = "^3.7.0"
 ptyprocess = "^0.7.0"
-pycparser = "^2.21"
-pydantic = "^2.5.3"
-pydantic_core = "^2.14.6"
-pylev = "^1.3.0"
-pyOpenSSL = "^24.0.0"
+pycparser = "^2.22"
+pydantic = "^2.6.4"
+pydantic_core = "^2.16.3"
+pylev = "^1.4.0"
 pyproject_hooks = "^1.0.0"
 PySocks = "^1.7.1"
 PyYAML = "^6.0.1"
-rapidfuzz = "^3.5.2"
+rapidfuzz = "^3.7.0"
 requests = "^2.31.0"
 requests-toolbelt = "^1.0.0"
-"ruamel.yaml" = "^0.17.21"
-SecretStorage = "^3.3.1"
-setuptools = "^68.2.2"
+"ruamel.yaml" = "^0.18.6"
+"ruamel.yaml.clib" = "^0.2.8"
+SecretStorage = "^3.3.3"
+setuptools = "^69.2.0"
 shellingham = "^1.5.4"
 six = "^1.16.0"
-smmap = "^4.0.0"
+smmap = "^5.0.0"
 tomli = "^2.0.1"
 tomli_w = "^1.0.0"
 tomlkit = "^0.12.4"
-toolz = "^0.12.0"
+toolz = "^0.12.1"
 trove-classifiers = "^2024.3.25"
-typing_extensions = "^4.9.0"
+typing_extensions = "^4.10.0"
 ukkonen = "^1.0.1"
 urllib3 = "^1.26.18"
-virtualenv = "^20.24.1"
+virtualenv = "^20.25.1"
 webencodings = "^0.5.1"
-wheel = "^0.41.2"
+wheel = "^0.43.0"
 zipp = "^3.17.0"

subpex/utils/vis_progress.py

@@ -15,8 +15,8 @@ def rolling_average(data: List[float], window: int) -> List[float]:
     smaller.
 
     Args:
-        data (list): list of the data to obtain the rolling average.
-        window (int): size of the window to use.
+        data: list of the data to obtain the rolling average.
+        window: size of the window to use.
 
     Returns:
         average (list): list containing the rolling average.
@@ -348,7 +348,7 @@ def obtain_paths_highest_rmsd_jd_weight(
     parser.add_argument(
         "outdir",
         type=str,
-        help="Define the output directory to put the files in, it will creat it if it does not exist. It is required",
+        help="Define the output directory to put the files in, it will create it if it does not exist. It is required",
     )
     args = parser.parse_args()