change requirements and dockerfile

Dockerfile

@@ -1,6 +1,6 @@
 # https://hub.docker.com/r/jupyter/base-notebook/dockerfile
 
-FROM python:3.7-slim
+FROM python:3.8-slim
 
 ENV DEBIAN_FRONTEND noninteractive
 RUN apt-get update && apt-get -yq dist-upgrade && \
@@ -13,9 +13,10 @@ ENV PKG_DIR="$WRK_DIR/pyxdh"
 RUN mkdir $WRK_DIR
 WORKDIR $WRK_DIR
 
-RUN mkdir -p $PKG_DIR && \
-    git clone https://github.com/ajz34/Py_xDH.git $PKG_DIR && \
-    cp $PKG_DIR/.pyscf_conf.py ~/.pyscf_conf.py
+RUN mkdir -p $PKG_DIR
+RUN git clone https://github.com/ajz34/Py_xDH.git $PKG_DIR
+RUN cd $PKG_DIR/ && git checkout --force origin/legacy
+RUN cp $PKG_DIR/.pyscf_conf.py ~/.pyscf_conf.py
 
 RUN pip --no-cache-dir install -r $PKG_DIR/requirements.txt
 RUN pip --no-cache-dir install -r $PKG_DIR/docs/requirements.yml

requirements.txt

@@ -1,4 +1,7 @@
-pyscf==2.5.0
+pyscf==1.7.5
+h5py==3.0
+scipy==1.4.1
+numpy==1.18
 opt_einsum
 jupyter
 sphinx