Initial commit for hf spaces

.space

@@ -0,0 +1,2 @@
+docker:
+  file: deployment/Dockerfile

README.md

@@ -1,2 +1,10 @@
+---
+title: PYCEK
+emoji: 🧪
+colorFrom: blue
+colorTo: green
+sdk: docker
+app_port: 8000
+---
 # pycek
 python package for CHEM2000

src/pycek_public.egg-info/PKG-INFO

@@ -1,42 +0,0 @@
-Metadata-Version: 2.2
-Name: pycek_public
-Version: 1.0.0
-Summary: read and write coordinates
-Author-email: Paolo Raiteri <p.raiteri@curtin.edu.au>
-License: MIT License
-        
-        Copyright (c) 2025 Paolo Raiteri
-        
-        Permission is hereby granted, free of charge, to any person obtaining a copy
-        of this software and associated documentation files (the "Software"), to deal
-        in the Software without restriction, including without limitation the rights
-        to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
-        copies of the Software, and to permit persons to whom the Software is
-        furnished to do so, subject to the following conditions:
-        
-        The above copyright notice and this permission notice shall be included in all
-        copies or substantial portions of the Software.
-        
-        THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
-        IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
-        FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
-        AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
-        LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
-        OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
-        SOFTWARE.
-        
-Requires-Python: >=3.8
-Description-Content-Type: text/markdown
-License-File: LICENSE
-Requires-Dist: numpy
-Requires-Dist: scipy
-Requires-Dist: lmfit
-Requires-Dist: matplotlib
-Provides-Extra: dev
-Requires-Dist: black; extra == "dev"
-Requires-Dist: mypy; extra == "dev"
-Requires-Dist: pylint; extra == "dev"
-Requires-Dist: alive-progress; extra == "dev"
-
-# pycek
-python package for CHEM2000

src/pycek_public.egg-info/SOURCES.txt

@@ -1,17 +0,0 @@
-LICENSE
-README.md
-pyproject.toml
-src/pycek_public/__init__.py
-src/pycek_public/bomb_calorimetry.py
-src/pycek_public/cek_labs.py
-src/pycek_public/crystal_violet.py
-src/pycek_public/generate_random_filenames.py
-src/pycek_public/logger.py
-src/pycek_public/plotting.py
-src/pycek_public/statistics_lab.py
-src/pycek_public/surface_adsorption.py
-src/pycek_public.egg-info/PKG-INFO
-src/pycek_public.egg-info/SOURCES.txt
-src/pycek_public.egg-info/dependency_links.txt
-src/pycek_public.egg-info/requires.txt
-src/pycek_public.egg-info/top_level.txt

src/pycek_public.egg-info/dependency_links.txt

@@ -1 +0,0 @@
-

src/pycek_public.egg-info/requires.txt

@@ -1,10 +0,0 @@
-numpy
-scipy
-lmfit
-matplotlib
-
-[dev]
-black
-mypy
-pylint
-alive-progress

src/pycek_public.egg-info/top_level.txt

@@ -1 +0,0 @@
-pycek_public