Merge pull request #104 from munrojm/update_api_notebook

Update pymatgen req and api notebook

Author: jmmshn

notebooks/download_from_api.ipynb

@@ -39,7 +39,6 @@
     "Then you should install the following two packages:\n",
     "\n",
     "```\n",
-    "pip install -U mp-api\n",
     "pip install -U mp-pyrho\n",
     "```\n",
     "\n",
@@ -53,7 +52,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "from mp_api.client import MPRester\n",
+    "from pymatgen.ext.matproj import MPRester\n",
     "with MPRester(API_KEY) as mpr:\n",
     "    chgcar = mpr.get_charge_density_from_material_id(\"mp-149\")\n",
     "type(chgcar)"
@@ -137,9 +136,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "from mp_api.client import MPRester\n",
-    "from emmet.core.summary import HasProps\n",
-    "\n",
+    "from pymatgen.ext.matproj import MPRester\n",
     "with MPRester(API_KEY) as mpr:\n",
     "    hexagonal_materials = mpr.summary.search(crystal_system=\"Hexagonal\", \n",
     "                                             is_stable=True,\n",

pyproject.toml

@@ -16,7 +16,7 @@ classifiers = [
 ]
 authors = [{name = "Jimmy-Xuan Shen", email = "[email protected]"}]
 dependencies = [
-  'pymatgen>=2022.3.22',
+  'pymatgen>=2022.9.21',
 ]
 
 description = "Tools for re-griding periodic volumetric quantum chemistry data for machine-learning purposes."
@@ -46,7 +46,7 @@ tests = [
   "hypothesis==6.40.1",
 ]
 strict = [
-  "pymatgen==2022.7.19",
+  "pymatgen==2022.9.21",
 ]
 
 [project.urls]