Loading README.md +1 −1 Original line number Diff line number Diff line Loading @@ -68,7 +68,7 @@ via this installation procedure. ### Easy Install via Conda ```bash conda install -c omnia deepchem conda install -c deepchem -c rdkit -c conda-forge -c omnia deepchem=1.2.0 ``` ### Installing Dependencies Manually Loading devtools/README.md +5 −0 Original line number Diff line number Diff line Loading @@ -27,4 +27,9 @@ How to do a release - sudo docker tag \<IMAGE ID\> deepchemio/deepchem:<version> - sudo docker push deepchemio/deepchem:<version> - Update conda installs - edit version in devtools/conda-recipes/deepchem/meta.yml - update requirements to be inline with scripts/install_deepchem_conda.sh - set deepchem anaconda org token - bash devtools/jenkins/conda_build.sh - Post on Gitter devtools/jenkins/conda_build.sh 0 → 100644 +21 −0 Original line number Diff line number Diff line #!/bin/bash cd devtools/conda-recipe source activate root conda upgrade conda conda upgrade conda-build conda build purge export python_version=2.7 conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge export python_version=3.5 conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge export python_version=3.6 conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge export package_name=deepchem-gpu export tensorflow_enabled=tensorflow-gpu export python_version=2.7 conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge export python_version=3.5 conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge export python_version=3.6 conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge scripts/install_deepchem_conda.sh +12 −12 Original line number Diff line number Diff line Loading @@ -22,17 +22,17 @@ conda create -y --name $envname python=$python_version source activate $envname conda install -y -c omnia pdbfixer=1.4 conda install -y -c rdkit rdkit conda install -y joblib conda install -c anaconda six conda install -y -c omnia mdtraj conda install -y scikit-learn=0.18.1 conda install -y setuptools conda install -y -c conda-forge joblib=0.11 conda install -y -c conda-forge six conda install -y -c conda-forge mdtraj conda install -y -c conda-forge scikit-learn=0.18.1 conda install -y -c conda-forge setuptools conda install -y -c conda-forge keras=1.2.2 conda install -y -c anaconda networkx=1.11 conda install -y -c conda-forge networkx=1.11 conda install -y -c conda-forge xgboost=0.6a2 conda install -y -c anaconda pillow=4.2.1 conda install -y -c anaconda pandas=0.19.2 conda install -y $tensorflow=1.2.1 conda install -y -c anaconda nose conda install -c omnia nose-timer conda install -c spyder-ide flaky=3.3.0 conda install -y -c conda-forge pillow=4.2.1 conda install -y -c conda-forge pandas=0.19.2 conda install -y -c conda-forge $tensorflow=1.2.1 conda install -y -c conda-forge nose=1.3.7 conda install -y -c conda-forge nose-timer=0.7.0 conda install -y -c conda-forge flaky=3.3.0 Loading
README.md +1 −1 Original line number Diff line number Diff line Loading @@ -68,7 +68,7 @@ via this installation procedure. ### Easy Install via Conda ```bash conda install -c omnia deepchem conda install -c deepchem -c rdkit -c conda-forge -c omnia deepchem=1.2.0 ``` ### Installing Dependencies Manually Loading
devtools/README.md +5 −0 Original line number Diff line number Diff line Loading @@ -27,4 +27,9 @@ How to do a release - sudo docker tag \<IMAGE ID\> deepchemio/deepchem:<version> - sudo docker push deepchemio/deepchem:<version> - Update conda installs - edit version in devtools/conda-recipes/deepchem/meta.yml - update requirements to be inline with scripts/install_deepchem_conda.sh - set deepchem anaconda org token - bash devtools/jenkins/conda_build.sh - Post on Gitter
devtools/jenkins/conda_build.sh 0 → 100644 +21 −0 Original line number Diff line number Diff line #!/bin/bash cd devtools/conda-recipe source activate root conda upgrade conda conda upgrade conda-build conda build purge export python_version=2.7 conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge export python_version=3.5 conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge export python_version=3.6 conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge export package_name=deepchem-gpu export tensorflow_enabled=tensorflow-gpu export python_version=2.7 conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge export python_version=3.5 conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge export python_version=3.6 conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge
scripts/install_deepchem_conda.sh +12 −12 Original line number Diff line number Diff line Loading @@ -22,17 +22,17 @@ conda create -y --name $envname python=$python_version source activate $envname conda install -y -c omnia pdbfixer=1.4 conda install -y -c rdkit rdkit conda install -y joblib conda install -c anaconda six conda install -y -c omnia mdtraj conda install -y scikit-learn=0.18.1 conda install -y setuptools conda install -y -c conda-forge joblib=0.11 conda install -y -c conda-forge six conda install -y -c conda-forge mdtraj conda install -y -c conda-forge scikit-learn=0.18.1 conda install -y -c conda-forge setuptools conda install -y -c conda-forge keras=1.2.2 conda install -y -c anaconda networkx=1.11 conda install -y -c conda-forge networkx=1.11 conda install -y -c conda-forge xgboost=0.6a2 conda install -y -c anaconda pillow=4.2.1 conda install -y -c anaconda pandas=0.19.2 conda install -y $tensorflow=1.2.1 conda install -y -c anaconda nose conda install -c omnia nose-timer conda install -c spyder-ide flaky=3.3.0 conda install -y -c conda-forge pillow=4.2.1 conda install -y -c conda-forge pandas=0.19.2 conda install -y -c conda-forge $tensorflow=1.2.1 conda install -y -c conda-forge nose=1.3.7 conda install -y -c conda-forge nose-timer=0.7.0 conda install -y -c conda-forge flaky=3.3.0
