Skip to content

Commit

Permalink
install rdkit and h5py from conda forge
Browse files Browse the repository at this point in the history
  • Loading branch information
felipeZ committed Feb 25, 2019
1 parent ecca2cc commit 17954ad
Show file tree
Hide file tree
Showing 2 changed files with 3 additions and 9 deletions.
3 changes: 1 addition & 2 deletions .travis.yml
Original file line number Diff line number Diff line change
Expand Up @@ -17,8 +17,7 @@ install:
- conda info -a

# Install virtual enviroment
- conda install h5py==2.8.0
- conda install -c rdkit rdkit==2018.03.4.0
- conda install -c conda-forge h5py==2.8.0 rdkit==2018.03.4.0

# Install qmflows package
- pip install git+https://github.com/SCM-NV/PLAMS.git@master#egg=plams-1.2 --upgrade
Expand Down
9 changes: 2 additions & 7 deletions README.rst
Original file line number Diff line number Diff line change
Expand Up @@ -77,14 +77,9 @@ Dependencies installation
Using the conda environment the following packages should be installed:


- install rdkit_ using conda:
- install rdkit_ and HDF5_ using conda:

- ``conda install -y -q --name qmflows -c rdkit rdkit``

- install HDF5_ using conda:

- ``conda install -y -q --name qmflows -c anaconda h5py``

- `` - conda install -y -q -c conda-forge h5py rdkit``

.. _installation:

Expand Down

0 comments on commit 17954ad

Please sign in to comment.