File tree Expand file tree Collapse file tree
Expand file tree Collapse file tree Original file line number Diff line number Diff line change 1616
1717requirements :
1818 host :
19- - python >=3.11
19+ - python >=3.12
2020 - pip
2121 - flit-core >=3.4,<4
2222 run :
Original file line number Diff line number Diff line change @@ -9,12 +9,19 @@ the continuous integration workflows.
99Getting Started for Developers
1010------------------------------
1111
12- Create a virtual environment::
12+ Create a development environment using either venv or Conda.
13+
14+ Using venv::
1315
1416 python -m venv codeentropy-dev
1517 source codeentropy-dev/bin/activate # Linux/macOS
1618 codeentropy-dev\Scripts\activate # Windows
1719
20+ Using Conda::
21+
22+ conda create -n codeentropy-dev python=3.14
23+ conda activate codeentropy-dev
24+
1825Clone the repository::
1926
2027 git clone https://github.com/CCPBioSim/CodeEntropy.git
Original file line number Diff line number Diff line change @@ -23,13 +23,37 @@ Requirements
2323Installation
2424------------
2525
26- To install the released version:
26+ CodeEntropy can be installed using either pip or Conda.
27+
28+ Install with pip
29+ ^^^^^^^^^^^^^^^^
30+
31+ To install the released version from PyPI:
2732
2833.. code-block :: bash
2934
3035 pip install CodeEntropy
3136
3237
38+ Install with Conda
39+ ^^^^^^^^^^^^^^^^^^
40+
41+ CodeEntropy is also available via the CCPBioSim Anaconda channel.
42+
43+ Create a dedicated environment:
44+
45+ .. code-block :: bash
46+
47+ conda create -n codeentropy python=3.14
48+ conda activate codeentropy
49+
50+ Install CodeEntropy:
51+
52+ .. code-block :: bash
53+
54+ conda install -c conda-forge -c CCPBioSim CodeEntropy
55+
56+
3357 Input Files
3458-----------
3559
Original file line number Diff line number Diff line change @@ -35,7 +35,7 @@ classifiers = [
3535 " Development Status :: 5 - Production/Stable"
3636]
3737keywords = [" entropy" , " macromolecular systems" , " MD simulation" ]
38- requires-python = " >=3.11 "
38+ requires-python = " >=3.12 "
3939dependencies = [
4040 " numpy>=2.3,<3.0" ,
4141 " mdanalysis>=2.10,<3.0" ,
You can’t perform that action at this time.
0 commit comments