11#
2- # This file is autogenerated by pip-compile with Python 3.12
2+ # This file is autogenerated by pip-compile with Python 3.13
33# by the following command:
44#
55# pip-compile --all-extras --output-file=requirements.txt
@@ -8,99 +8,145 @@ accessible-pygments==0.0.5
88 # via pydata-sphinx-theme
99alabaster == 1.0.0
1010 # via sphinx
11- attrs == 24.3.0
11+ asttokens == 3.0.0
12+ # via stack-data
13+ attrs == 25.3.0
1214 # via
1315 # jsonschema
1416 # referencing
15- babel == 2.16 .0
17+ babel == 2.17 .0
1618 # via
1719 # pydata-sphinx-theme
1820 # sphinx
19- beautifulsoup4 == 4.12.3
21+ beautifulsoup4 == 4.13.4
2022 # via
2123 # nbconvert
2224 # pydata-sphinx-theme
23- bleach == 6.2.0
25+ bleach [ css ] == 6.2.0
2426 # via nbconvert
25- bokeh == 3.6.0
27+ bokeh == 3.7.3
2628 # via pyopenms_viz (pyproject.toml)
27- certifi == 2024.12.14
29+ cairocffi == 1.7.1
30+ # via cairosvg
31+ cairosvg == 2.8.2
32+ # via pyopenms_viz (pyproject.toml)
33+ certifi == 2025.8.3
2834 # via requests
29- charset-normalizer == 3.4.0
35+ cffi == 1.17.1
36+ # via cairocffi
37+ charset-normalizer == 3.4.3
3038 # via requests
31- contourpy == 1.3.0
39+ comm == 0.2.3
40+ # via ipykernel
41+ contourpy == 1.3.3
3242 # via
3343 # bokeh
3444 # matplotlib
45+ cssselect2 == 0.8.0
46+ # via cairosvg
3547cycler == 0.12.1
3648 # via matplotlib
49+ debugpy == 1.8.16
50+ # via ipykernel
51+ decorator == 5.2.1
52+ # via ipython
3753defusedxml == 0.7.1
38- # via nbconvert
54+ # via
55+ # cairosvg
56+ # nbconvert
3957docutils == 0.21.2
4058 # via
4159 # nbsphinx
4260 # pydata-sphinx-theme
4361 # sphinx
62+ executing == 2.2.0
63+ # via stack-data
4464fastjsonschema == 2.21.1
4565 # via nbformat
46- fonttools == 4.54.1
66+ fonttools == 4.59.0
4767 # via matplotlib
4868idna == 3.10
4969 # via requests
5070imagesize == 1.4.1
5171 # via sphinx
52- iniconfig == 2.0 .0
72+ iniconfig == 2.1 .0
5373 # via pytest
54- jinja2 == 3.1.4
74+ ipykernel == 6.30.1
75+ # via pyopenms_viz (pyproject.toml)
76+ ipython == 9.4.0
77+ # via
78+ # ipykernel
79+ # pyopenms_viz (pyproject.toml)
80+ ipython-pygments-lexers == 1.1.1
81+ # via ipython
82+ jedi == 0.19.2
83+ # via ipython
84+ jinja2 == 3.1.6
5585 # via
5686 # bokeh
5787 # nbconvert
5888 # nbsphinx
5989 # sphinx
60- jsonschema == 4.23 .0
90+ jsonschema == 4.25 .0
6191 # via nbformat
62- jsonschema-specifications == 2024.10 .1
92+ jsonschema-specifications == 2025.4 .1
6393 # via jsonschema
6494jupyter-client == 8.6.3
65- # via nbclient
66- jupyter-core == 5.7.2
6795 # via
96+ # ipykernel
97+ # nbclient
98+ jupyter-core == 5.8.1
99+ # via
100+ # ipykernel
68101 # jupyter-client
69102 # nbclient
70103 # nbconvert
71104 # nbformat
72105jupyterlab-pygments == 0.3.0
73106 # via nbconvert
74- kiwisolver == 1.4.7
107+ kiwisolver == 1.4.9
75108 # via matplotlib
76109markupsafe == 3.0.2
77110 # via
78111 # jinja2
79112 # nbconvert
80- matplotlib == 3.9.2
113+ matplotlib == 3.10.5
81114 # via pyopenms_viz (pyproject.toml)
82- mistune == 3.1.0
115+ matplotlib-inline == 0.1.7
116+ # via
117+ # ipykernel
118+ # ipython
119+ mistune == 3.1.3
83120 # via nbconvert
121+ narwhals == 2.0.1
122+ # via
123+ # bokeh
124+ # plotly
84125nbclient == 0.10.2
85126 # via nbconvert
86- nbconvert == 7.16.4
127+ nbconvert == 7.16.6
87128 # via nbsphinx
88129nbformat == 5.10.4
89130 # via
90131 # nbclient
91132 # nbconvert
92133 # nbsphinx
93- nbsphinx == 0.9.6
134+ nbsphinx == 0.9.7
94135 # via pyopenms_viz (pyproject.toml)
136+ nest-asyncio == 1.6.0
137+ # via ipykernel
95138numpy == 2.1.2
96139 # via
97140 # bokeh
98141 # contourpy
99142 # matplotlib
100143 # pandas
101- packaging == 24.1
144+ # pymzml
145+ # rdkit
146+ packaging == 25.0
102147 # via
103148 # bokeh
149+ # ipykernel
104150 # matplotlib
105151 # nbconvert
106152 # plotly
@@ -112,28 +158,49 @@ pandas==2.2.3
112158 # pyopenms_viz (pyproject.toml)
113159pandocfilters == 1.5.1
114160 # via nbconvert
115- pillow == 11.0.0
161+ parso == 0.8.4
162+ # via jedi
163+ pexpect == 4.9.0
164+ # via ipython
165+ pillow == 11.3.0
116166 # via
117167 # bokeh
168+ # cairosvg
118169 # matplotlib
170+ # rdkit
119171 # sphinx-gallery
120- platformdirs == 4.3.6
172+ platformdirs == 4.3.8
121173 # via jupyter-core
122- plotly == 5.24.1
174+ plotly == 6.2.0
123175 # via pyopenms_viz (pyproject.toml)
124- pluggy == 1.5 .0
176+ pluggy == 1.6 .0
125177 # via pytest
178+ prompt-toolkit == 3.0.51
179+ # via ipython
180+ psutil == 7.0.0
181+ # via ipykernel
182+ ptyprocess == 0.7.0
183+ # via pexpect
184+ pure-eval == 0.2.3
185+ # via stack-data
186+ pycparser == 2.22
187+ # via cffi
126188pydata-sphinx-theme == 0.16.1
127189 # via pyopenms_viz (pyproject.toml)
128- pygments == 2.18.0
190+ pygments == 2.19.2
129191 # via
130192 # accessible-pygments
193+ # ipython
194+ # ipython-pygments-lexers
131195 # nbconvert
132196 # pydata-sphinx-theme
197+ # pytest
133198 # sphinx
134- pyparsing == 3.2.0
199+ pymzml == 2.5.11
200+ # via pyopenms_viz (pyproject.toml)
201+ pyparsing == 3.2.3
135202 # via matplotlib
136- pytest == 8.3.3
203+ pytest == 8.4.1
137204 # via
138205 # pyopenms_viz (pyproject.toml)
139206 # syrupy
@@ -146,23 +213,29 @@ pytz==2024.2
146213 # via pandas
147214pyyaml == 6.0.2
148215 # via bokeh
149- pyzmq == 26.2.0
150- # via jupyter-client
151- referencing == 0.35.1
216+ pyzmq == 27.0.1
217+ # via
218+ # ipykernel
219+ # jupyter-client
220+ rdkit == 2025.3.5
221+ # via pyopenms_viz (pyproject.toml)
222+ referencing == 0.36.2
152223 # via
153224 # jsonschema
154225 # jsonschema-specifications
155- requests == 2.32.3
226+ regex == 2025.7.34
227+ # via pymzml
228+ requests == 2.32.4
156229 # via sphinx
157- rpds-py == 0.22.3
230+ rpds-py == 0.27.0
158231 # via
159232 # jsonschema
160233 # referencing
161234six == 1.16.0
162235 # via python-dateutil
163- snowballstemmer == 2.2.0
236+ snowballstemmer == 3.0.1
164237 # via sphinx
165- soupsieve == 2.6
238+ soupsieve == 2.7
166239 # via beautifulsoup4
167240sphinx == 8.1.3
168241 # via
@@ -173,7 +246,7 @@ sphinx==8.1.3
173246 # sphinx-gallery
174247sphinx-copybutton == 0.5.2
175248 # via pyopenms_viz (pyproject.toml)
176- sphinx-gallery == 0.18 .0
249+ sphinx-gallery == 0.19 .0
177250 # via pyopenms_viz (pyproject.toml)
178251sphinxcontrib-applehelp == 2.0.0
179252 # via sphinx
@@ -187,37 +260,45 @@ sphinxcontrib-qthelp==2.0.0
187260 # via sphinx
188261sphinxcontrib-serializinghtml == 2.0.0
189262 # via sphinx
190- syrupy == 4.7.2
263+ stack-data == 0.6.3
264+ # via ipython
265+ syrupy == 4.9.1
191266 # via pyopenms_viz (pyproject.toml)
192- tenacity == 9.0.0
193- # via plotly
194267tinycss2 == 1.4.0
195- # via nbconvert
196- tornado == 6.4.2
268+ # via
269+ # bleach
270+ # cairosvg
271+ # cssselect2
272+ tornado == 6.5.2
197273 # via
198274 # bokeh
275+ # ipykernel
199276 # jupyter-client
200277traitlets == 5.14.3
201278 # via
279+ # ipykernel
280+ # ipython
202281 # jupyter-client
203282 # jupyter-core
283+ # matplotlib-inline
204284 # nbclient
205285 # nbconvert
206286 # nbformat
207287 # nbsphinx
208- typing-extensions == 4.12.2
209- # via pydata-sphinx-theme
288+ typing-extensions == 4.14.1
289+ # via
290+ # beautifulsoup4
291+ # pydata-sphinx-theme
210292tzdata == 2024.2
211293 # via pandas
212- urllib3 == 2.2.3
294+ urllib3 == 2.5.0
213295 # via requests
296+ wcwidth == 0.2.13
297+ # via prompt-toolkit
214298webencodings == 0.5.1
215299 # via
216300 # bleach
301+ # cssselect2
217302 # tinycss2
218- xyzservices == 2024.9 .0
303+ xyzservices == 2025.4 .0
219304 # via bokeh
220-
221- # pyopenms-viz
222- git+https://github.com/OpenMS/pyopenms_viz.git
223-
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