Commit 7dea2a68 authored by Bharath Ramsundar's avatar Bharath Ramsundar
Browse files

Addressing new pip syntax and dockerfile

parent fe07671e
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@@ -55,7 +55,7 @@ Please check [the document](https://deepchem.readthedocs.io/en/latest/requiremen
Please install tensorflow v2.4.* before installing deepchem.

```bash
pip install tensorflow==2.4.*
pip install tensorflow~=2.4
```

Then, you install deepchem via pip or conda.  
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@@ -18,7 +18,7 @@ RUN conda update -n base conda && \
    conda create -y --name deepchem python=3.6 && \
    . /miniconda/etc/profile.d/conda.sh && \
    conda activate deepchem && \
    pip install tensorflow==2.3.* deepchem && \
    pip install tensorflow~=2.4 deepchem && \
    conda install -c conda-forge rdkit && \
    conda clean -afy && \
    rm -rf ~/.cache/pip
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@@ -22,7 +22,7 @@ dependencies:
    - pyGPGO
    - pymatgen==2020.12.31
    - simdna
    - tensorflow==2.4.*
    - tensorflow~=2.4
    - tensorflow_probability==0.12.*
    - torch-geometric==1.6.*
    - transformers==3.5.*
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@@ -7,6 +7,7 @@ This note explains how to release deepchem packages.
1. Create and merge a release PR
    - Modify the version in `deepchem/__init__.py` (Remove `.dev`, e.g. `2.4.0.dev` -> `2.4.0`)
    - Update the documents for installing a new package in `README.md` and `docs`
    - Update the dockerfile at `deepchem/docker/tag/Dockerfile`
2. Push a new tag to the merge commit -> release new PyPI package and docker image
3. Create and merge a release PR in the [feedstock repository](https://github.com/conda-forge/deepchem-feedstock) -> release new Conda Forge package
4. Publish the documents for a new tag in [ReadTheDocs](https://readthedocs.org/projects/deepchem/versions/).