Sea16 installment

From DISI
Revision as of 00:30, 18 November 2016 by 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...")
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigation Jump to search

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


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.