Add CHANGELOG

.github/workflows/publish.yml

@@ -7,7 +7,7 @@ jobs:
   release-pypi-x86-64:
     runs-on: ubuntu-latest
     env:
-      img: quay.io/pypa/manylinux2014_x86_64:2024-05-06-7d57077
+      img: quay.io/pypa/manylinux2014_x86_64:latest
     steps:
       - uses: actions/checkout@v4
       - name: Build wheels
@@ -44,7 +44,7 @@ jobs:
   release-pypi-aarch64:
     runs-on: ubuntu-latest
     env:
-      img: quay.io/pypa/manylinux2014_aarch64:2023-03-12-25fd859
+      img: quay.io/pypa/manylinux2014_aarch64:latest
     steps:
     - name: Checkout
       uses: actions/checkout@v4

CHANGELOG

@@ -0,0 +1,22 @@
+PySCF-Forge 1.0.1 (2024-10-31)
+------------------------------
+* New features
+  - PySCF-TrexIO interface
+
+
+PySCF-Forge 1.0.0 (2024-05-31)
+------------------------------
+* PyPI wheels with initial features
+  - CMS-PDFT (Multiconfiguration Pair-Density Functional Theory) energy and analytical nuclear gradients
+  - LPDFT energy and analytical nuclear gradients
+  - MC-PDFT energy and analytical nuclear gradients
+  - MS-PDFT energy and analytical nuclear gradients
+  - XMS-PDFT method
+  - Non-adiabatic couplings between states using MS-PDFT method
+  - MCDCFT (Multiconfiguration Density-Coherence Functional Theory) method
+  - MCDCFT dipole moment
+  - MC-PDFT dipole moment and transition dipole moment
+  - MC-PDFT energy decomposition analysis
+  - LRDF (Long-Range Density Fitting) for energy and analytical nuclear gradients and Hessian 
+  - Spin-flip TDA using multi-collinear functionals
+  - M3SOSCF (Markovian Multiagent Monte-Carlo second order SCF) method

NOTICE

@@ -6,3 +6,7 @@ Dayou Zhang (University of Minnesota)
 Aleksandr Lykhin (University of Chicago)
 Thais R Scott (University of Chicago)
 Matthew R Hennefarth (University of Chicago)
+Linus Dittmer
+Hao Li
+Bhavnesh Jangid
+Shirong Wang

setup.py

@@ -20,7 +20,7 @@
 SO_EXTENSIONS = {
 }
 DEPENDENCIES = ['pyscf', 'numpy']
-VERSION = '1.0.0'
+VERSION = '1.0.1'
 
 #######################################################################
 # Unless not working, nothing below needs to be changed.