Add install.sh

.github/workflows/tests.yml

@@ -55,7 +55,7 @@ jobs:
           conda install abinit -c conda-forge --yes
           mpirun -n 1 abinit --version
           mpirun -n 1 abinit --build
-          pip install -r requirements.txt
+          install.sh
           mkdir -p $HOME/.abinit/abipy/
           cp abipy_book/data/gh_manager.yml $HOME/.abinit/abipy/manager.yml
           cp abipy_book/data/gh_scheduler.yml $HOME/.abinit/abipy/scheduler.yml

abipy_book/structure.md

@@ -109,8 +109,8 @@ provided VESTA is already installed on your machine and the binary can be found
 To get a structure from the [materials project database](https://www.materialsproject.org), use:
 
 ```{code-cell}
-# You can pass the api_key or set the env variable PMG_MAPI_KEY in your ~/.pmgrc.yaml files.
-si2_mp = Structure.from_mpid("mp-149", api_key=None)
+# Remember to set the env variable PMG_MAPI_KEY in your ~/.pmgrc.yaml files.
+si2_mp = Structure.from_mpid("mp-149")
 print(si2_mp)
 ```
 

install.sh

@@ -0,0 +1,5 @@
+#!/bin/bash
+set -e  # exit on first error
+
+pip install -r requirements.txt
+conda install graphviz -c conda-forge --yes 

requirements.txt

@@ -1,4 +1,5 @@
 invoke
 abipy
 jupyter-book
+graphviz
 #ghp-import