Sea16 installment: Difference between revisions

Latest revision as of 21:12, 22 November 2016

1. install a python virtual environment with RDKIT:

/nfs/soft/python/install/scripts/create-virtualenv.sh /nfs/soft/python/envs/rdkit/YOUR_VERSION_OF_CHOICE/ ~/the/path/to/your/virtualenv

2. to install a new version of RDKit into a virtualenv:

/nfs/soft/python/install/scripts/create-virtualenv.sh -s /nfs/soft/python/version/BLABLA/ /nfs/soft/python/envs/rdkit/NEW_VERSION_NAME

/nfs/soft/python/install/scripts/install-rdkit.sh PATH/TO/THE/RDKIT.tar.gz /nfs/soft/python/envs/rdkit/NEW_VERSION_NAME

3. install the requirements.txt

pip install -r requirements.txt

4.

Revision as of 00:30, 18 November 2016 (view source) Enkhjargal (talk \| contribs) (Created page with "1. install a python virtual environment with RDKIT: /nfs/soft/python/install/create-virtualenv.sh /nfs/soft/python/envs/rdkit/YOUR_VERSION_OF_CHOICE/ ~/the/path/to/your/virt...")		Latest revision as of 21:12, 22 November 2016 (view source) Enkhjargal (talk \| contribs) No edit summary
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	1. install a python virtual environment with RDKIT:		1. install a python virtual environment with RDKIT:

	/nfs/soft/python/install/create-virtualenv.sh /nfs/soft/python/envs/rdkit/YOUR_VERSION_OF_CHOICE/ ~/the/path/to/your/virtualenv		/nfs/soft/python/install/scripts/create-virtualenv.sh /nfs/soft/python/envs/rdkit/YOUR_VERSION_OF_CHOICE/ ~/the/path/to/your/virtualenv