From beeb089aa1b686d5ef2d4cfdc11e2c633eb73cad Mon Sep 17 00:00:00 2001
From: Alejandro Velez <alex@alexv24.com>
Date: Fri, 23 Feb 2024 15:03:17 -0500
Subject: [PATCH] New conda env.

To install tdc, simply run
conda env create -f environment.yml
...
Tested

Successfully installed PyTDC-0.4.1 aiobotocore-2.11.2 aiohttp-3.9.3 aioitertools-0.11.0 aiosignal-1.3.1 anndata-0.10.5.post1 array-api-compat-1.4.1 async-timeout-4.0.3 attrs-23.2.0 botocore-1.34.34 cellxgene-census-1.10.2 exceptiongroup-1.2.0 frozenlist-1.4.1 get-annotations-0.1.2 h5py-3.10.0 jmespath-1.0.1 llvmlite-0.42.0 multidict-6.0.5 natsort-8.4.0 networkx-3.2.1 numba-0.59.0 pyarrow-12.0.1 pyarrow-hotfix-0.6 pynndescent-0.5.11 rdkit-pypi-2022.9.5 s3fs-2024.2.0 scanpy-1.9.8 seaborn-0.13.2 session-info-1.0.0 somacore-1.0.7 stdlib_list-0.10.0 tiledb-0.25.0 tiledbsoma-1.7.2 umap-learn-0.5.5 urllib3-1.26.18 wrapt-1.16.0 yarl-1.9.4

done

 To activate this environment, use

     $ conda activate tdc-conda-env

 To deactivate an active environment, use
     $ conda deactivate
---
 environment.yml | 20 ++++++++++++++++++++
 1 file changed, 20 insertions(+)
 create mode 100644 environment.yml

diff --git a/environment.yml b/environment.yml
new file mode 100644
index 00000000..3caed9e8
--- /dev/null
+++ b/environment.yml
@@ -0,0 +1,20 @@
+name: tdc-conda-env 
+channels:
+  - conda-forge
+  - defaults
+dependencies:
+  - dataclasses=0.8
+  - fuzzywuzzy=0.18.0
+  - huggingface_hub=0.20.3
+  - numpy=1.26.4
+  - python=3.9.13
+  - pip=23.3.1
+  - pandas=2.1.4
+  - rdkit=2023.9.5
+  - requests=2.31.0
+  - scikit-learn=1.3.0
+  - seaborn=0.12.2
+  - tqdm=4.65.0
+  - pip:
+    - cellxgene-census==1.10.2 
+    - PyTDC==0.4.1