From c1fe007f87d2a490716a346e0d877eb66093cf30 Mon Sep 17 00:00:00 2001
From: sbailo <sbailo@fhi-berlin.mpg.de>
Date: Thu, 16 Sep 2021 14:00:49 +0200
Subject: [PATCH] Install jupyter jsmol in setup

---
 descriptor_role.ipynb | 32 ++++++++++++++++----------------
 setup.py              |  2 +-
 2 files changed, 17 insertions(+), 17 deletions(-)

diff --git a/descriptor_role.ipynb b/descriptor_role.ipynb
index 0d6cdfa..3679885 100644
--- a/descriptor_role.ipynb
+++ b/descriptor_role.ipynb
@@ -69,8 +69,8 @@
    "execution_count": 1,
    "metadata": {
     "ExecuteTime": {
-     "end_time": "2021-09-14T14:21:22.281891Z",
-     "start_time": "2021-09-14T14:21:22.270006Z"
+     "end_time": "2021-09-14T14:30:04.851511Z",
+     "start_time": "2021-09-14T14:30:04.832503Z"
     },
     "init_cell": true
    },
@@ -195,8 +195,8 @@
    "execution_count": 2,
    "metadata": {
     "ExecuteTime": {
-     "end_time": "2021-09-14T14:21:24.602454Z",
-     "start_time": "2021-09-14T14:21:22.282984Z"
+     "end_time": "2021-09-14T14:30:07.180032Z",
+     "start_time": "2021-09-14T14:30:04.852666Z"
     },
     "init_cell": true,
     "tags": [
@@ -207,7 +207,7 @@
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "cc8c6620956944eca7ce698df1f252ea",
+       "model_id": "4ee6df9ee3f741d69dedf298cfccedf9",
        "version_major": 2,
        "version_minor": 0
       },
@@ -260,8 +260,8 @@
    "execution_count": 3,
    "metadata": {
     "ExecuteTime": {
-     "end_time": "2021-09-14T14:21:24.716387Z",
-     "start_time": "2021-09-14T14:21:24.605171Z"
+     "end_time": "2021-09-14T14:30:07.283447Z",
+     "start_time": "2021-09-14T14:30:07.182435Z"
     },
     "init_cell": true,
     "tags": [
@@ -323,8 +323,8 @@
    "execution_count": 4,
    "metadata": {
     "ExecuteTime": {
-     "end_time": "2021-09-14T14:21:24.722377Z",
-     "start_time": "2021-09-14T14:21:24.717752Z"
+     "end_time": "2021-09-14T14:30:07.287864Z",
+     "start_time": "2021-09-14T14:30:07.284712Z"
     },
     "init_cell": true
    },
@@ -353,8 +353,8 @@
    "execution_count": 5,
    "metadata": {
     "ExecuteTime": {
-     "end_time": "2021-09-14T14:21:24.733732Z",
-     "start_time": "2021-09-14T14:21:24.723967Z"
+     "end_time": "2021-09-14T14:30:07.298609Z",
+     "start_time": "2021-09-14T14:30:07.289053Z"
     },
     "init_cell": true,
     "tags": [
@@ -442,8 +442,8 @@
    "execution_count": 6,
    "metadata": {
     "ExecuteTime": {
-     "end_time": "2021-09-14T14:21:24.753028Z",
-     "start_time": "2021-09-14T14:21:24.734831Z"
+     "end_time": "2021-09-14T14:30:07.315349Z",
+     "start_time": "2021-09-14T14:30:07.299720Z"
     },
     "init_cell": true,
     "tags": [
@@ -582,8 +582,8 @@
    "execution_count": 7,
    "metadata": {
     "ExecuteTime": {
-     "end_time": "2021-09-14T14:21:25.035203Z",
-     "start_time": "2021-09-14T14:21:24.754880Z"
+     "end_time": "2021-09-14T14:30:07.581620Z",
+     "start_time": "2021-09-14T14:30:07.316390Z"
     },
     "init_cell": true,
     "scrolled": false,
@@ -595,7 +595,7 @@
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "3f5fc578cd0e4531abcda67716cb8eea",
+       "model_id": "e8d2c04ad65049e8bcb440fe6e638ab3",
        "version_major": 2,
        "version_minor": 0
       },
diff --git a/setup.py b/setup.py
index 4fede51..8f76ba9 100644
--- a/setup.py
+++ b/setup.py
@@ -13,5 +13,5 @@ setup(
     description=metainfo['title'],
     long_description=metainfo['description'],
     packages=find_packages(),
-    install_requires=['numpy', 'pandas', 'matplotlib','scikit-learn','ipywidgets','nglview','ase','jupyter_helpers'],
+    install_requires=['numpy', 'pandas', 'matplotlib','scikit-learn','ipywidgets','nglview','ase','jupyter_helpers', 'jupyter_jsmol==2021.3.0'],
 )
-- 
GitLab