bindtools 0.2.2__tar.gz → 0.2.3__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (5) hide show
  1. {bindtools-0.2.2 → bindtools-0.2.3}/PKG-INFO +7 -7
  2. {bindtools-0.2.2 → bindtools-0.2.3}/pyproject.toml +9 -7
  3. {bindtools-0.2.2 → bindtools-0.2.3}/src/bindtools/binding.py +0 -1
  4. {bindtools-0.2.2 → bindtools-0.2.3}/README.md +0 -0
  5. {bindtools-0.2.2 → bindtools-0.2.3}/src/bindtools/__init__.py +0 -0
{bindtools-0.2.2 → bindtools-0.2.3}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.3
2
2
  Name: bindtools
3
- Version: 0.2.2
3
+ Version: 0.2.3
4
4
  Keywords: chemistry,analytical chemistry,binding constants,supramolecular
5
5
  Author: Martin Peeks
6
6
  Author-email: Martin Peeks <martinp23@googlemail.com>, m.peeks@unsw.edu.au
@@ -11,18 +11,18 @@ Classifier: Programming Language :: Python :: 3.13
11
11
  Classifier: Programming Language :: Python :: 3.14
12
12
  Classifier: Topic :: Scientific/Engineering :: Chemistry
13
13
  Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
14
- Requires-Dist: arviz==0.21.0
15
14
  Requires-Dist: corner==2.2.3
16
15
  Requires-Dist: emcee==3.1.6
17
16
  Requires-Dist: h5py>=3.14.0
18
- Requires-Dist: lmfit==1.3.3
19
- Requires-Dist: matplotlib==3.10.7
20
- Requires-Dist: numba>=0.65.1
17
+ Requires-Dist: latex2mathml>=3.81.0
18
+ Requires-Dist: lmfit==1.3.4
19
+ Requires-Dist: matplotlib==3.11.0
20
+ Requires-Dist: numba>=0.66
21
21
  Requires-Dist: numpy>=2.3.4
22
22
  Requires-Dist: openpyxl>=3.1.5
23
23
  Requires-Dist: pandas>=2.3.3
24
- Requires-Dist: scipy==1.16.3
25
- Requires-Dist: tqdm==4.66.3
24
+ Requires-Dist: scipy==1.18.0
25
+ Requires-Dist: tqdm==4.68.3
26
26
  Requires-Dist: uncertainties==3.2.3
27
27
  Requires-Python: >=3.12
28
28
  Project-URL: Homepage, https://github.com/martinp23/bindtools
{bindtools-0.2.2 → bindtools-0.2.3}/pyproject.toml RENAMED
@@ -4,7 +4,7 @@ build-backend = "uv_build"
4
4
 
5
5
  [project]
6
6
  name = "bindtools"
7
- version = "0.2.2"
7
+ version = "0.2.3"
8
8
  readme = "README.md"
9
9
  classifiers = [
10
10
  # How mature is this project? Common values are
@@ -27,18 +27,18 @@ classifiers = [
27
27
  requires-python = ">=3.12"
28
28
  keywords = ["chemistry", "analytical chemistry", "binding constants", "supramolecular"]
29
29
  dependencies = [
30
- "arviz==0.21.0",
31
30
  "corner==2.2.3",
32
31
  "emcee==3.1.6",
33
32
  "h5py>=3.14.0",
34
- "lmfit==1.3.3",
35
- "matplotlib==3.10.7",
36
- "numba>=0.65.1",
33
+ "latex2mathml>=3.81.0",
34
+ "lmfit==1.3.4",
35
+ "matplotlib==3.11.0",
36
+ "numba>=0.66",
37
37
  "numpy>=2.3.4",
38
38
  "openpyxl>=3.1.5",
39
39
  "pandas>=2.3.3",
40
- "scipy==1.16.3",
41
- "tqdm==4.66.3",
40
+ "scipy==1.18.0",
41
+ "tqdm==4.68.3",
42
42
  "uncertainties==3.2.3",
43
43
  ]
44
44
  authors = [
@@ -133,5 +133,7 @@ docstring-code-line-length = "dynamic"
133
133
 
134
134
  [dependency-groups]
135
135
  dev = [
136
+ "ipykernel>=7.3.0",
136
137
  "pytest>=9.1.0",
138
+ "ruff>=0.15.18",
137
139
  ]
{bindtools-0.2.2 → bindtools-0.2.3}/src/bindtools/binding.py RENAMED
@@ -5,7 +5,6 @@
5
5
  import datetime
6
6
  import math
7
7
  import os
8
- import re
9
8
  from multiprocessing import Pool
10
9
  from contextlib import nullcontext
11
10
 
{bindtools-0.2.2 → bindtools-0.2.3}/README.md RENAMED
File without changes