Fixing more changes (e0b8f1be) · Commits · 钟慕尧 / deepchem

.github/workflows/main.yml

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		@@ -41,9 +41,9 @@ jobs:
		matrix:
		os: [ubuntu-latest, windows-latest]
		python-version: [3.7]
		include:
		- os: ubuntu-latest
		python-version: 3.6
		#include:
		# - os: ubuntu-latest
		# python-version: 3.6
		env:
		OS: ${{ matrix.os }}
		PYTHON_VERSION: ${{ matrix.python-version }}

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		@@ -30,7 +30,7 @@ materials science, quantum chemistry, and biology.

		## Requirements

		DeepChem currently supports Python 3.6 through 3.7 and requires these packages on any condition.
		DeepChem currently supports Python 3.7 through 3.9 and requires these packages on any condition.

		- [joblib](https://pypi.python.org/pypi/joblib)
		- [NumPy](https://numpy.org/)

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		@@ -19,7 +19,7 @@ SHELL ["/bin/bash", "-c"]
		RUN conda update -n base conda && \
		git clone --depth 1 https://github.com/deepchem/deepchem.git && \
		cd deepchem && \
		source scripts/install_deepchem_conda.sh 3.7 gpu && \
		source scripts/install_deepchem_conda.sh 3.9 gpu && \
		conda activate deepchem && \
		pip install -e . && \
		conda clean -afy && \

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		@@ -15,7 +15,7 @@ ENV PATH /miniconda/bin:$PATH

		# install latest version deepchem
		RUN conda update -n base conda && \
		conda create -y --name deepchem python=3.6 && \
		conda create -y --name deepchem python=3.9 && \
		. /miniconda/etc/profile.d/conda.sh && \
		conda activate deepchem && \
		pip install tensorflow~=2.4 deepchem && \

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		@@ -135,21 +135,21 @@ Then, execute the shell script. The shell scripts require two arguments,

		.. code-block:: bash

		source scripts/install_deepchem_conda.sh 3.7 cpu
		source scripts/install_deepchem_conda.sh 3.9 cpu


		If you want GPU support (we supports only CUDA 10.1):

		.. code-block:: bash

		source scripts/install_deepchem_conda.sh 3.7 gpu
		source scripts/install_deepchem_conda.sh 3.9 gpu


		If you are using the Windows and the PowerShell:

		.. code-block:: ps1

		. .\scripts\install_deepchem_conda.ps1 3.7 cpu
		. .\scripts\install_deepchem_conda.ps1 3.9 cpu


		\| Before activating deepchem environment, make sure conda has been initialized.