diff --git a/README.md b/README.md index f7ec712..9ee284f 100644 --- a/README.md +++ b/README.md @@ -109,6 +109,7 @@ Command Examples (for Singularity only): 2. Create anaconda environment, and then install dependent libraries conda create -c rdkit -n ann_env rdkit python=3.5.2 + pip install -r singularity-install/requirements.txt 3. Run your algorithm scripts by SLURM shell diff --git a/requirements.txt b/requirements.txt index 4b8d866..244077a 100644 --- a/requirements.txt +++ b/requirements.txt @@ -9,4 +9,4 @@ psutil==5.4.2 scipy==1.0.0 scikit-learn==0.19.1 jinja2==2.10 -h5sparse=0.1.0 +h5sparse==0.1.0 diff --git a/singularity-install/requirements.txt b/singularity-install/requirements.txt index 5677802..dc5013c 100644 --- a/singularity-install/requirements.txt +++ b/singularity-install/requirements.txt @@ -8,4 +8,4 @@ psutil==5.4.2 scipy==1.0.0 scikit-learn==0.19.1 jinja2==2.10 -h5sparse=0.1.0 +h5sparse==0.1.0