From cc8426c142da9e5d820d5da1f9de04b632a75de1 Mon Sep 17 00:00:00 2001
From: Anthony Onwuli <30937913+AntObi@users.noreply.github.com>
Date: Thu, 7 Dec 2023 19:44:11 +0000
Subject: [PATCH 1/5] Update requirements using pip-compile

---
 requirements.txt | 13 +++++--------
 1 file changed, 5 insertions(+), 8 deletions(-)

diff --git a/requirements.txt b/requirements.txt
index fa74d35c..442c09c5 100644
--- a/requirements.txt
+++ b/requirements.txt
@@ -1,4 +1,5 @@
-# This file is autogenerated by pip-compile with Python 3.9
+#
+# This file is autogenerated by pip-compile with Python 3.10
 # by the following command:
 #
 #    pip-compile
@@ -25,8 +26,6 @@ future==0.18.3
     # via uncertainties
 idna==3.4
     # via requests
-importlib-resources==6.0.1
-    # via matplotlib
 joblib==1.3.2
     # via pymatgen
 kiwisolver==1.4.5
@@ -86,7 +85,7 @@ pybtex==0.24.0
     # via
     #   emmet-core
     #   pymatgen
-pydantic==2.5.2
+pydantic==1.10.13
     # via
     #   emmet-core
     #   pymatgen
@@ -95,7 +94,7 @@ pymatgen==2023.7.20
     #   SMACT (setup.py)
     #   emmet-core
     #   mp-api
-pyparsing==3.1.1
+pyparsing==3.0.9
     # via matplotlib
 python-dateutil==2.8.2
     # via
@@ -147,8 +146,6 @@ uncertainties==3.1.7
     # via pymatgen
 urllib3==2.0.7
     # via requests
-zipp==3.16.2
-    # via importlib-resources
 
 # The following packages are considered to be unsafe in a requirements file:
-# setuptools
\ No newline at end of file
+# setuptools

From f9a769b649df5b61b840c56156afe8538c73d496 Mon Sep 17 00:00:00 2001
From: Anthony Onwuli <30937913+AntObi@users.noreply.github.com>
Date: Thu, 7 Dec 2023 19:44:25 +0000
Subject: [PATCH 2/5] Bump version number

---
 docs/conf.py | 2 +-
 setup.py     | 4 ++--
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/docs/conf.py b/docs/conf.py
index fa1cdb7b..86db5ebc 100644
--- a/docs/conf.py
+++ b/docs/conf.py
@@ -62,7 +62,7 @@
 # The short X.Y version.
 version = "2.5"
 # The full version, including alpha/beta/rc tags.
-release = "2.5.1"
+release = "2.5.5"
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
diff --git a/setup.py b/setup.py
index f0778ecf..8b151a32 100644
--- a/setup.py
+++ b/setup.py
@@ -5,10 +5,10 @@
 __copyright__ = (
     "Copyright Daniel W. Davies, Adam J. Jackson, Keith T. Butler (2019)"
 )
-__version__ = "2.5.4"
+__version__ = "2.5.5"
 __maintainer__ = "Anthony O. Onwuli"
 __maintaier_email__ = "anthony.onwuli16@imperial.ac.uk"
-__date__ = "November 30 2023"
+__date__ = "December 7 2023"
 
 import os
 import unittest

From 541efda80c23201979ec40cc16a0ce51bd019b17 Mon Sep 17 00:00:00 2001
From: Anthony Onwuli <30937913+AntObi@users.noreply.github.com>
Date: Thu, 7 Dec 2023 19:44:52 +0000
Subject: [PATCH 3/5] Install from requirements file

---
 .github/workflows/ci.yml | 1 +
 1 file changed, 1 insertion(+)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 23aa4321..0aa4e733 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -32,6 +32,7 @@ jobs:
     - name: Install dependencies
       run: |
         python -m pip install --upgrade pip wheel setuptools
+        pip install -r requirements.txt
         pip install -e .
         pip install pytest-cov
     - name: Run tests and collect coverage

From 9dd1a6fa989507a9ea97ea4910c047b669ebd3b0 Mon Sep 17 00:00:00 2001
From: Anthony Onwuli <30937913+AntObi@users.noreply.github.com>
Date: Thu, 7 Dec 2023 19:48:53 +0000
Subject: [PATCH 4/5] Update requirements.txt using pip-compile

---
 requirements.txt | 273 +++++++++++++++++++++--------------------------
 1 file changed, 122 insertions(+), 151 deletions(-)

diff --git a/requirements.txt b/requirements.txt
index 442c09c5..0341cc29 100644
--- a/requirements.txt
+++ b/requirements.txt
@@ -1,151 +1,122 @@
-#
-# This file is autogenerated by pip-compile with Python 3.10
-# by the following command:
-#
-#    pip-compile
-#
-ase==3.22.1
-    # via SMACT (setup.py)
-certifi==2023.7.22
-    # via requests
-charset-normalizer==3.2.0
-    # via requests
-contourpy==1.1.0
-    # via matplotlib
-cycler==0.11.0
-    # via matplotlib
-dill==0.3.7
-    # via
-    #   multiprocess
-    #   pathos
-emmet-core==0.66.0
-    # via mp-api
-fonttools==4.42.1
-    # via matplotlib
-future==0.18.3
-    # via uncertainties
-idna==3.4
-    # via requests
-joblib==1.3.2
-    # via pymatgen
-kiwisolver==1.4.5
-    # via matplotlib
-latexcodec==2.0.1
-    # via pybtex
-matplotlib==3.7.2
-    # via
-    #   ase
-    #   pymatgen
-monty==2023.8.8
-    # via
-    #   emmet-core
-    #   mp-api
-    #   pymatgen
-mp-api==0.35.1
-    # via pymatgen
-mpmath==1.3.0
-    # via sympy
-msgpack==1.0.5
-    # via mp-api
-multiprocess==0.70.15
-    # via pathos
-networkx==3.1
-    # via pymatgen
-numpy==1.24.4
-    # via
-    #   SMACT (setup.py)
-    #   ase
-    #   contourpy
-    #   matplotlib
-    #   pandas
-    #   pymatgen
-    #   scipy
-    #   spglib
-packaging==23.1
-    # via
-    #   matplotlib
-    #   plotly
-palettable==3.3.3
-    # via pymatgen
-pandas==2.0.3
-    # via
-    #   SMACT (setup.py)
-    #   pymatgen
-pathos==0.3.1
-    # via SMACT (setup.py)
-pillow==10.0.1
-    # via matplotlib
-plotly==5.16.1
-    # via pymatgen
-pox==0.3.3
-    # via pathos
-ppft==1.7.6.7
-    # via pathos
-pybtex==0.24.0
-    # via
-    #   emmet-core
-    #   pymatgen
-pydantic==1.10.13
-    # via
-    #   emmet-core
-    #   pymatgen
-pymatgen==2023.7.20
-    # via
-    #   SMACT (setup.py)
-    #   emmet-core
-    #   mp-api
-pyparsing==3.0.9
-    # via matplotlib
-python-dateutil==2.8.2
-    # via
-    #   matplotlib
-    #   pandas
-pytz==2023.3
-    # via pandas
-pyyaml==6.0.1
-    # via pybtex
-requests==2.31.0
-    # via
-    #   mp-api
-    #   pymatgen
-ruamel-yaml==0.17.32
-    # via pymatgen
-ruamel-yaml-clib==0.2.7
-    # via ruamel-yaml
-scipy==1.10.1
-    # via
-    #   SMACT (setup.py)
-    #   ase
-    #   pymatgen
-six==1.16.0
-    # via
-    #   latexcodec
-    #   pybtex
-    #   python-dateutil
-spglib==2.0.2
-    # via
-    #   SMACT (setup.py)
-    #   emmet-core
-    #   pymatgen
-sympy==1.12
-    # via pymatgen
-tabulate==0.9.0
-    # via pymatgen
-tenacity==8.2.3
-    # via plotly
-tqdm==4.66.1
-    # via pymatgen
-typing-extensions==4.7.1
-    # via
-    #   emmet-core
-    #   mp-api
-    #   pydantic
-tzdata==2023.3
-    # via pandas
-uncertainties==3.1.7
-    # via pymatgen
-urllib3==2.0.7
-    # via requests
-
-# The following packages are considered to be unsafe in a requirements file:
-# setuptools
+#
+# This file is autogenerated by pip-compile with Python 3.10
+# by the following command:
+#
+#    pip-compile
+#
+ase==3.22.1
+    # via SMACT (setup.py)
+certifi==2023.11.17
+    # via requests
+charset-normalizer==3.3.2
+    # via requests
+contourpy==1.2.0
+    # via matplotlib
+cycler==0.12.1
+    # via matplotlib
+dill==0.3.7
+    # via
+    #   multiprocess
+    #   pathos
+fonttools==4.46.0
+    # via matplotlib
+future==0.18.3
+    # via uncertainties
+idna==3.6
+    # via requests
+joblib==1.3.2
+    # via pymatgen
+kiwisolver==1.4.5
+    # via matplotlib
+latexcodec==2.0.1
+    # via pybtex
+matplotlib==3.8.2
+    # via
+    #   ase
+    #   pymatgen
+monty==2023.11.3
+    # via pymatgen
+mpmath==1.3.0
+    # via sympy
+multiprocess==0.70.15
+    # via pathos
+networkx==3.2.1
+    # via pymatgen
+numpy==1.26.2
+    # via
+    #   SMACT (setup.py)
+    #   ase
+    #   contourpy
+    #   matplotlib
+    #   pandas
+    #   pymatgen
+    #   scipy
+    #   spglib
+packaging==23.2
+    # via
+    #   matplotlib
+    #   plotly
+palettable==3.3.3
+    # via pymatgen
+pandas==2.1.3
+    # via
+    #   SMACT (setup.py)
+    #   pymatgen
+pathos==0.3.1
+    # via SMACT (setup.py)
+pillow==10.1.0
+    # via matplotlib
+plotly==5.18.0
+    # via pymatgen
+pox==0.3.3
+    # via pathos
+ppft==1.7.6.7
+    # via pathos
+pybtex==0.24.0
+    # via pymatgen
+pymatgen==2023.11.12
+    # via SMACT (setup.py)
+pyparsing==3.1.1
+    # via matplotlib
+python-dateutil==2.8.2
+    # via
+    #   matplotlib
+    #   pandas
+pytz==2023.3.post1
+    # via pandas
+pyyaml==6.0.1
+    # via pybtex
+requests==2.31.0
+    # via pymatgen
+ruamel-yaml==0.18.5
+    # via pymatgen
+ruamel-yaml-clib==0.2.8
+    # via ruamel-yaml
+scipy==1.11.4
+    # via
+    #   SMACT (setup.py)
+    #   ase
+    #   pymatgen
+six==1.16.0
+    # via
+    #   latexcodec
+    #   pybtex
+    #   python-dateutil
+spglib==2.1.0
+    # via
+    #   SMACT (setup.py)
+    #   pymatgen
+sympy==1.12
+    # via pymatgen
+tabulate==0.9.0
+    # via pymatgen
+tenacity==8.2.3
+    # via plotly
+tqdm==4.66.1
+    # via pymatgen
+tzdata==2023.3
+    # via pandas
+uncertainties==3.1.7
+    # via pymatgen
+urllib3==2.1.0
+    # via requests

From ec1444bc74b4ab2462732b8b51ad60317b3f1933 Mon Sep 17 00:00:00 2001
From: Anthony Onwuli <30937913+AntObi@users.noreply.github.com>
Date: Thu, 7 Dec 2023 21:12:47 +0000
Subject: [PATCH 5/5] Remove pip install from requirements in ci.yml

---
 .github/workflows/ci.yml | 1 -
 1 file changed, 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 0aa4e733..23aa4321 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -32,7 +32,6 @@ jobs:
     - name: Install dependencies
       run: |
         python -m pip install --upgrade pip wheel setuptools
-        pip install -r requirements.txt
         pip install -e .
         pip install pytest-cov
     - name: Run tests and collect coverage