diff --git a/.flexci/build_and_push.sh b/.flexci/build_and_push.sh index 3e73b99..2e8a018 100644 --- a/.flexci/build_and_push.sh +++ b/.flexci/build_and_push.sh @@ -3,7 +3,7 @@ IMAGE_BASE="${1:-}" IMAGE_PUSH=1 if [ "${IMAGE_BASE}" = "" ]; then - IMAGE_BASE="torch-dftd3" + IMAGE_BASE="torch-dftd" IMAGE_PUSH=0 fi diff --git a/.flexci/pytest_script.sh b/.flexci/pytest_script.sh index bff615b..f744410 100644 --- a/.flexci/pytest_script.sh +++ b/.flexci/pytest_script.sh @@ -2,7 +2,7 @@ set -eu #IMAGE=pytorch/pytorch:1.5.1-cuda10.1-cudnn7-devel -IMAGE=asia.gcr.io/pfn-public-ci/torch-dftd3-ci:torch15 +IMAGE=asia.gcr.io/pfn-public-ci/torch-dftd-ci:torch15 main() { diff --git a/README.md b/README.md index 25c9fba..6210988 100644 --- a/README.md +++ b/README.md @@ -4,6 +4,10 @@ pytorch implementation of dftd2 [1] & dftd3 [2, 3] ## Install ```bash +# Install from pypi +pip install torch-dftd + +# Install from source (for developers) git clone https://github.com/pfnet-research/torch-dftd pip install -e . ``` diff --git a/torch_dftd/_version.py b/torch_dftd/_version.py index f102a9c..3dc1f76 100644 --- a/torch_dftd/_version.py +++ b/torch_dftd/_version.py @@ -1 +1 @@ -__version__ = "0.0.1" +__version__ = "0.1.0"