diff --git a/.github/workflows/build.yaml b/.github/workflows/build.yaml
index 1ba2d1d..71ab877 100644
--- a/.github/workflows/build.yaml
+++ b/.github/workflows/build.yaml
@@ -9,7 +9,7 @@ jobs:
   build:
     runs-on: ubuntu-latest
     strategy:
-      fail-fast: false
+      fail-fast: true
 
     steps:
       # Repository
@@ -20,16 +20,7 @@ jobs:
       - name: Set up Pixi
         uses: prefix-dev/setup-pixi@v0.8.9
 
-      # Build
+      # Test build (release workflow builds and uploads)
       - name: Build
         run: |
-          pixi build
-
-      # Upload
-      - name: Upload
-        if: ${{ github.ref_name == 'dev' && github.repository_owner == 'Auto-Mech'}}
-        run: |
-          pixi run -e build upload
-        env:
-          ANACONDA_API_KEY: ${{ secrets.ANACONDA_API_KEY }}
-        continue-on-error: true
+          pixi build
\ No newline at end of file
diff --git a/.github/workflows/release.yaml b/.github/workflows/release.yaml
new file mode 100644
index 0000000..c283374
--- /dev/null
+++ b/.github/workflows/release.yaml
@@ -0,0 +1,71 @@
+name: release
+
+on:
+  pull_request_target:
+    types: [closed]
+
+permissions:
+  contents: write
+
+jobs:
+  release:
+    if: >
+      github.event.pull_request.merged == true && (
+        contains(github.event.pull_request.labels.*.name, 'release:patch') ||
+        contains(github.event.pull_request.labels.*.name, 'release:major')
+      )
+    runs-on: ubuntu-latest
+    strategy:
+      fail-fast: true
+
+    steps:
+      # 1. Checkout the merged code
+      - name: Checkout merged code
+        uses: actions/checkout@v4
+        with:
+          ref: ${{ github.event.pull_request.base.ref }}
+          fetch-depth: 0
+
+      # 2. Setup environment
+      - name: Set up Pixi
+        uses: prefix-dev/setup-pixi@v0.8.9
+
+      - name: Fetch bot identity
+        id: bot
+        uses: raven-actions/bot-details@v1
+
+      - name: Configure git for committing
+        run: |
+          git config user.name "${{ steps.bot.outputs.name }}"
+          git config user.email "${{ steps.bot.outputs.email }}"
+
+      # 3. Bump version
+      - name: Bump version (patch)
+        if: contains(github.event.pull_request.labels.*.name, 'release:patch')
+        run: pixi run -e build bumpver update --patch
+
+      - name: Bump version (major)
+        if: contains(github.event.pull_request.labels.*.name, 'release:major')
+        run: pixi run -e build bumpver update --major
+
+      - name: Get version
+        id: version
+        run: |
+          echo "tag=$(pixi run current-version)" >> "$GITHUB_OUTPUT"
+
+      # 4. Build and upload conda package
+      - name: Build
+        run: |
+          pixi build
+
+      - name: Upload
+        run: |
+          pixi run -e build upload
+        env:
+          ANACONDA_API_KEY: ${{ secrets.ANACONDA_API_KEY }}
+
+      # 5. Create release
+      - name: Create GitHub Release
+        uses: softprops/action-gh-release@v2
+        with:
+          tag_name: ${{ steps.version.outputs.tag }}
diff --git a/README.md b/README.md
index e821ef7..6731c4d 100644
--- a/README.md
+++ b/README.md
@@ -1,6 +1,6 @@
 # Library: AutoIO
 [//]: # (Badges)
-[![CircleCI](https://circleci.com/gh/Auto-Mech/autoio/tree/dev.svg?style=shield)](https://circleci.com/gh/Auto-Mech/autoio/tree/dev)
+[![Anaconda-Server Badge](https://anaconda.org/auto-mech/autoio/badges/version.svg)](https://anaconda.org/auto-mech/autoio)
 
 Andreas V. Copan, Kevin B. Moore III, Sarah N. Elliott, and Stephen J. Klippenstein
 
@@ -9,10 +9,7 @@ Input writing, output parsing, and job submission tools created as part of the A
 <hr size=20>
 
 ## Package: elstruct
-[![Anaconda-Server Badge](https://anaconda.org/auto-mech/elstruct/badges/version.svg)](https://anaconda.org/auto-mech/elstruct)
-[![Anaconda-Server Badge](https://anaconda.org/auto-mech/elstruct/badges/platforms.svg)](https://anaconda.org/auto-mech/elstruct)
-[![Anaconda-Server Badge](https://anaconda.org/auto-mech/elstruct/badges/installer/conda.svg)](https://conda.anaconda.org/auto-mech/elstruct)
-[![Anaconda-Server Badge](https://anaconda.org/auto-mech/elstruct/badges/latest_release_date.svg)](https://conda.anaconda.org/auto-mech/elstruct)
+
 ### Installation
 ```python
 >>> conda install elstruct -c auto-mech
@@ -33,11 +30,7 @@ Our pytest tests serve as an example for building filesystems
 <hr>
 
 ## Package: autoparse
-[//]: # (Badges)
-[![Anaconda-Server Badge](https://anaconda.org/auto-mech/autoparse/badges/version.svg)](https://anaconda.org/auto-mech/autoparse)
-[![Anaconda-Server Badge](https://anaconda.org/auto-mech/autoparse/badges/platforms.svg)](https://anaconda.org/auto-mech/autoparse)
-[![Anaconda-Server Badge](https://anaconda.org/auto-mech/autoparse/badges/installer/conda.svg)](https://conda.anaconda.org/auto-mech/autoparse)
-[![Anaconda-Server Badge](https://anaconda.org/auto-mech/autoparse/badges/latest_release_date.svg)](https://conda.anaconda.org/auto-mech/autoparse)
+
 ### Installation
 ```python
 >>> conda install autoparse -c auto-mech
@@ -51,11 +44,7 @@ Our pytest tests serve as an example for building filesystems
 <hr>
 
 ## Package: autoio
-[//]: # (Badges)
-[![Anaconda-Server Badge](https://anaconda.org/auto-mech/autoio/badges/version.svg)](https://anaconda.org/auto-mech/autoio)
-[![Anaconda-Server Badge](https://anaconda.org/auto-mech/autoio/badges/platforms.svg)](https://anaconda.org/auto-mech/autoio)
-[![Anaconda-Server Badge](https://anaconda.org/auto-mech/autoio/badges/installer/conda.svg)](https://conda.anaconda.org/auto-mech/autoio)
-[![Anaconda-Server Badge](https://anaconda.org/auto-mech/autoio/badges/latest_release_date.svg)](https://conda.anaconda.org/auto-mech/autoio)
+
 ### Installation
 ```python
 >>> conda install autoio -c auto-mech
@@ -101,11 +90,7 @@ Our pytest tests serve as an example for building filesystems
 <hr>
 
 ## Package: autorun
-[//]: # (Badges)
-[![Anaconda-Server Badge](https://anaconda.org/auto-mech/autorun/badges/version.svg)](https://anaconda.org/auto-mech/autorun)
-[![Anaconda-Server Badge](https://anaconda.org/auto-mech/autorun/badges/platforms.svg)](https://anaconda.org/auto-mech/autorun)
-[![Anaconda-Server Badge](https://anaconda.org/auto-mech/autorun/badges/installer/conda.svg)](https://conda.anaconda.org/auto-mech/autorun)
-[![Anaconda-Server Badge](https://anaconda.org/auto-mech/autorun/badges/latest_release_date.svg)](https://conda.anaconda.org/auto-mech/autorun)
+
 ### Installation
 ```python
 >>> conda install autorun -c auto-mech
diff --git a/pixi.lock b/pixi.lock
index 10ff3c6..d0b11d8 100644
--- a/pixi.lock
+++ b/pixi.lock
@@ -12,16 +12,20 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/linux-64/_openmp_mutex-4.5-2_gnu.tar.bz2
       - conda: https://conda.anaconda.org/conda-forge/noarch/altair-5.5.0-pyhd8ed1ab_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/annotated-types-0.7.0-pyhd8ed1ab_1.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/astor-0.8.1-pyhd8ed1ab_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/asttokens-3.0.0-pyhd8ed1ab_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/attrs-25.4.0-pyh71513ae_0.conda
-      - conda: https://conda.anaconda.org/Auto-Mech/noarch/autochem-2025.10.0-pyh4616a5c_0.conda
+      - conda: https://conda.anaconda.org/Auto-Mech/noarch/autochem-0.2025.0-pyh4616a5c_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/brotli-1.1.0-hb03c661_4.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/brotli-bin-1.1.0-hb03c661_4.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/bumpver-2025.1131-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/bzip2-1.0.8-hda65f42_8.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/ca-certificates-2025.10.5-hbd8a1cb_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/cairo-1.18.4-h3394656_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/charset-normalizer-3.4.3-pyhd8ed1ab_0.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/contourpy-1.3.3-py313h7037e92_2.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/click-8.3.1-pyh707e725_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/colorama-0.4.6-pyhd8ed1ab_1.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/contourpy-1.3.3-py312hd9148b4_3.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/cycler-0.12.1-pyhd8ed1ab_1.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/cyrus-sasl-2.1.28-hd9c7081_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/decorator-5.2.1-pyhd8ed1ab_0.conda
@@ -36,10 +40,10 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/linux-64/fontconfig-2.15.0-h7e30c49_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/fonts-conda-ecosystem-1-0.tar.bz2
       - conda: https://conda.anaconda.org/conda-forge/noarch/fonts-conda-forge-1-0.tar.bz2
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/fonttools-4.60.1-py313h3dea7bd_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/fonttools-4.60.1-py312h8a5da7c_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/freetype-2.14.1-ha770c72_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/freetype-py-2.3.0-pyhd8ed1ab_0.tar.bz2
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/greenlet-3.2.4-py313h7033f15_1.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/greenlet-3.2.4-py312h1289d80_1.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/icu-75.1-he02047a_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/importlib-metadata-8.7.0-pyhe01879c_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/ipython-9.6.0-pyhfa0c392_0.conda
@@ -49,14 +53,16 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-4.25.1-pyhe01879c_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-specifications-2025.9.1-pyhcf101f3_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/keyutils-1.6.3-hb9d3cd8_0.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/kiwisolver-1.4.9-py313hc8edb43_1.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/kiwisolver-1.4.9-py312h0a2e395_2.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/krb5-1.21.3-h659f571_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/lcms2-2.17-h717163a_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.44-ha97dd6f_2.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/lerc-4.0.0-h0aef613_1.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/lexid-2021.1006-py312h7900ff3_7.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/lib3to6-202107.1047-pyhd8ed1ab_4.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libblas-3.9.0-36_h4a7cf45_openblas.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libboost-1.86.0-hed09d94_4.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/libboost-python-1.86.0-py313hfaae9d9_4.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/libboost-python-1.86.0-py312hf890105_4.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libbrotlicommon-1.1.0-hb03c661_4.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libbrotlidec-1.1.0-hb03c661_4.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libbrotlienc-1.1.0-hb03c661_4.conda
@@ -64,25 +70,25 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libdeflate-1.24-h86f0d12_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libedit-3.1.20250104-pl5321h7949ede_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libexpat-2.7.1-hecca717_0.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/libffi-3.4.6-h2dba641_1.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/libffi-3.5.2-h9ec8514_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libfreetype-2.14.1-ha770c72_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libfreetype6-2.14.1-h73754d4_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libgcc-15.2.0-h767d61c_6.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libgcc-ng-15.2.0-h69a702a_6.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libgfortran-15.2.0-h69a702a_6.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libgfortran5-15.2.0-hcd61629_6.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/libglib-2.86.0-h1fed272_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/libglib-2.86.2-h6548e54_1.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libgomp-15.2.0-h767d61c_6.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libiconv-1.18-h3b78370_2.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libjpeg-turbo-3.1.0-hb9d3cd8_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/liblapack-3.9.0-36_h47877c9_openblas.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/liblzma-5.8.1-hb9d3cd8_2.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/libmpdec-4.0.0-hb9d3cd8_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/libnsl-2.0.1-hb9d3cd8_1.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libntlm-1.8-hb9d3cd8_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libopenblas-0.3.30-pthreads_h94d23a6_2.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libpng-1.6.50-h421ea60_1.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libpq-18.0-h3675c94_0.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/librdkit-2025.09.1-h3c5c181_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/librdkit-2025.09.2-h3c5c181_1.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libsqlite-3.50.4-h0c1763c_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-15.2.0-h8f9b012_6.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-ng-15.2.0-h4852527_6.conda
@@ -92,27 +98,29 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libxcb-1.17.0-h8a09558_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libxcrypt-4.4.36-hd590300_1.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libzlib-1.3.1-hb9d3cd8_2.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/looseversion-1.3.0-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/mako-1.3.10-pyhd8ed1ab_0.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/markupsafe-3.0.3-py313h3dea7bd_0.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/matplotlib-base-3.10.6-py313h683a580_1.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/markupsafe-3.0.3-py312h8a5da7c_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/matplotlib-base-3.10.8-py312he3d6523_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/matplotlib-inline-0.1.7-pyhd8ed1ab_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/more-itertools-10.8.0-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/munkres-1.1.4-pyhd8ed1ab_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/narwhals-2.7.0-pyhcf101f3_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/ncurses-6.5-h2d0b736_3.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/networkx-3.5-pyhe01879c_0.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/numpy-2.3.3-py313hf6604e3_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/numpy-2.3.5-py312h33ff503_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/openjpeg-2.5.4-h55fea9a_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/openldap-2.6.10-he970967_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/openssl-3.5.4-h26f9b46_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/packaging-25.0-pyh29332c3_1.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/pandas-2.3.3-py313h08cd8bf_1.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/pandas-2.3.3-py312hf79963d_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/parso-0.8.5-pyhcf101f3_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/patchelf-0.17.2-h58526e2_0.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/pcre2-10.46-h1321c63_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/pathlib2-2.3.7.post1-py312h7900ff3_5.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/pcre2-10.47-haa7fec5_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/pexpect-4.9.0-pyhd8ed1ab_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/pickleshare-0.7.5-pyhd8ed1ab_1004.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/pillow-11.3.0-py313ha492abd_3.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/pillow-12.0.0-py312h0889fd4_0.conda
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+  md5: c3efd25ac4d74b1584d2f7a57195ddf1
+  constrains:
+  - python 3.12.* *_cpython
+  license: BSD-3-Clause
+  license_family: BSD
+  purls: []
+  size: 6958
+  timestamp: 1752805918820
 - conda: https://conda.anaconda.org/conda-forge/noarch/python_abi-3.13-8_cp313.conda
   build_number: 8
   sha256: 210bffe7b121e651419cb196a2a63687b087497595c9be9d20ebe97dd06060a7
@@ -2218,21 +2666,21 @@ packages:
   - pkg:pypi/pytz?source=hash-mapping
   size: 189015
   timestamp: 1742920947249
-- conda: https://conda.anaconda.org/conda-forge/linux-64/pyyaml-6.0.3-py313h3dea7bd_0.conda
-  sha256: 40dcd6718dce5fbee8aabdd0519f23d456d8feb2e15ac352eaa88bbfd3a881af
-  md5: 4794ea0adaebd9f844414e594b142cb2
+- conda: https://conda.anaconda.org/conda-forge/linux-64/pyyaml-6.0.3-py312h8a5da7c_0.conda
+  sha256: 1b3dc4c25c83093fff08b86a3574bc6b94ba355c8eba1f35d805c5e256455fc7
+  md5: fba10c2007c8b06f77c5a23ce3a635ad
   depends:
   - __glibc >=2.17,<3.0.a0
   - libgcc >=14
-  - python >=3.13,<3.14.0a0
-  - python_abi 3.13.* *_cp313
+  - python >=3.12,<3.13.0a0
+  - python_abi 3.12.* *_cp312
   - yaml >=0.2.5,<0.3.0a0
   license: MIT
   license_family: MIT
   purls:
-  - pkg:pypi/pyyaml?source=compressed-mapping
-  size: 207109
-  timestamp: 1758892173548
+  - pkg:pypi/pyyaml?source=hash-mapping
+  size: 204539
+  timestamp: 1758892248166
 - conda: https://conda.anaconda.org/conda-forge/noarch/pyyaml-6.0.3-pyh7db6752_0.conda
   sha256: 828af2fd7bb66afc9ab1c564c2046be391aaf66c0215f05afaf6d7a9a270fe2a
   md5: b12f41c0d7fb5ab81709fcc86579688f
@@ -2316,6 +2764,35 @@ packages:
   - pkg:pypi/rdkit?source=hash-mapping
   size: 20090675
   timestamp: 1759243430631
+- conda: https://conda.anaconda.org/conda-forge/linux-64/rdkit-2025.09.2-py312h3ecb6ed_1.conda
+  sha256: b32e4c46864a93493490c89b00f52ee7e6f05f6fc1c611abf86500144c272a06
+  md5: c94a7071b3b86865d0ea7e169a1736c2
+  depends:
+  - __glibc >=2.17,<3.0.a0
+  - cairo >=1.18.4,<2.0a0
+  - libboost >=1.86.0,<1.87.0a0
+  - libboost-python >=1.86.0,<1.87.0a0
+  - libfreetype >=2.14.1
+  - libfreetype6 >=2.14.1
+  - libgcc >=14
+  - libpq >=18.0,<19.0a0
+  - librdkit 2025.09.2 h3c5c181_1
+  - libstdcxx >=14
+  - matplotlib-base
+  - numpy >=1.23,<3
+  - pandas
+  - pillow
+  - pycairo
+  - python >=3.12,<3.13.0a0
+  - python_abi 3.12.* *_cp312
+  - reportlab
+  - sqlalchemy
+  license: BSD-3-Clause
+  license_family: BSD
+  purls:
+  - pkg:pypi/rdkit?source=hash-mapping
+  size: 20128255
+  timestamp: 1763128546111
 - conda: https://conda.anaconda.org/conda-forge/linux-64/readline-8.2-h8c095d6_2.conda
   sha256: 2d6d0c026902561ed77cd646b5021aef2d4db22e57a5b0178dfc669231e06d2c
   md5: 283b96675859b20a825f8fa30f311446
@@ -2360,6 +2837,24 @@ packages:
   - pkg:pypi/reportlab?source=hash-mapping
   size: 2770412
   timestamp: 1758296257860
+- conda: https://conda.anaconda.org/conda-forge/linux-64/reportlab-4.4.5-py312h4c3975b_0.conda
+  sha256: 2f784cf3a69d4fb6876231ca5f433ba767c79b75ac1d8caabb42573dbd2c1147
+  md5: ca5bf45da40c91378ad6552d95215dc4
+  depends:
+  - __glibc >=2.17,<3.0.a0
+  - charset-normalizer
+  - freetype-py >=2.3,<2.4
+  - libgcc >=14
+  - pillow >=9
+  - python >=3.12,<3.13.0a0
+  - python_abi 3.12.* *_cp312
+  - rlpycairo >=0.2.0
+  license: BSD-3-Clause
+  license_family: BSD
+  purls:
+  - pkg:pypi/reportlab?source=hash-mapping
+  size: 2753587
+  timestamp: 1763485231886
 - conda: https://conda.anaconda.org/conda-forge/noarch/rlpycairo-0.4.0-pyh6c17108_0.conda
   sha256: 8d993b1a7d869855a1f6358dcc3de08dbeda9263d8c852d44bfc3900701c1e6c
   md5: cc70086eaf08be7f62fd44842c013916
@@ -2389,6 +2884,22 @@ packages:
   - pkg:pypi/rpds-py?source=hash-mapping
   size: 389189
   timestamp: 1756737629819
+- conda: https://conda.anaconda.org/conda-forge/linux-64/rpds-py-0.29.0-py312h868fb18_0.conda
+  sha256: 3cb1efc0b30ead1816a221038a9ca515dd48a2a4124899f077775c42e06221fe
+  md5: 607432ac645871632454c768c91d4798
+  depends:
+  - python
+  - __glibc >=2.17,<3.0.a0
+  - libgcc >=14
+  - python_abi 3.12.* *_cp312
+  constrains:
+  - __glibc >=2.17
+  license: MIT
+  license_family: MIT
+  purls:
+  - pkg:pypi/rpds-py?source=hash-mapping
+  size: 385164
+  timestamp: 1763327046694
 - conda: https://conda.anaconda.org/conda-forge/linux-64/scipy-1.16.2-py313h11c21cd_0.conda
   sha256: 3c26c268a4db6ff62103f6b245f650d3cd7478240335405c07e05bae85af4d36
   md5: 85a80978a04be9c290b8fe6d9bccff1c
@@ -2412,6 +2923,40 @@ packages:
   - pkg:pypi/scipy?source=hash-mapping
   size: 17034458
   timestamp: 1757682259363
+- conda: https://conda.anaconda.org/conda-forge/linux-64/scipy-1.16.3-py312h7a1785b_1.conda
+  sha256: dcb7080ccb113d760c94a2f5dd32239452793fe9c9cff743ffec27fa128e4801
+  md5: c6e0e1f1d9ac014a980574cfe8caa25f
+  depends:
+  - __glibc >=2.17,<3.0.a0
+  - libblas >=3.9.0,<4.0a0
+  - libcblas >=3.9.0,<4.0a0
+  - libgcc >=14
+  - libgfortran
+  - libgfortran5 >=14.3.0
+  - liblapack >=3.9.0,<4.0a0
+  - libstdcxx >=14
+  - numpy <2.6
+  - numpy >=1.23,<3
+  - numpy >=1.25.2
+  - python >=3.12,<3.13.0a0
+  - python_abi 3.12.* *_cp312
+  license: BSD-3-Clause
+  license_family: BSD
+  purls:
+  - pkg:pypi/scipy?source=compressed-mapping
+  size: 16782787
+  timestamp: 1763220711836
+- conda: https://conda.anaconda.org/conda-forge/noarch/setuptools-80.9.0-pyhff2d567_0.conda
+  sha256: 972560fcf9657058e3e1f97186cc94389144b46dbdf58c807ce62e83f977e863
+  md5: 4de79c071274a53dcaf2a8c749d1499e
+  depends:
+  - python >=3.9
+  license: MIT
+  license_family: MIT
+  purls:
+  - pkg:pypi/setuptools?source=hash-mapping
+  size: 748788
+  timestamp: 1748804951958
 - conda: https://conda.anaconda.org/conda-forge/noarch/six-1.17.0-pyhe01879c_1.conda
   sha256: 458227f759d5e3fcec5d9b7acce54e10c9e1f4f4b7ec978f3bfd54ce4ee9853d
   md5: 3339e3b65d58accf4ca4fb8748ab16b3
@@ -2440,6 +2985,22 @@ packages:
   - pkg:pypi/sqlalchemy?source=hash-mapping
   size: 3666714
   timestamp: 1759824891185
+- conda: https://conda.anaconda.org/conda-forge/linux-64/sqlalchemy-2.0.44-py312h4c3975b_0.conda
+  sha256: 027be1ca08842bb1775eb6f8c14621c0c18931f03473a8be730ea1ce79f547e4
+  md5: 21edaf3d8f04da6258c30be095012ea7
+  depends:
+  - __glibc >=2.17,<3.0.a0
+  - greenlet !=0.4.17
+  - libgcc >=14
+  - python >=3.12,<3.13.0a0
+  - python_abi 3.12.* *_cp312
+  - typing-extensions >=4.6.0
+  license: MIT
+  license_family: MIT
+  purls:
+  - pkg:pypi/sqlalchemy?source=hash-mapping
+  size: 3586589
+  timestamp: 1760114623445
 - conda: https://conda.anaconda.org/conda-forge/noarch/stack_data-0.6.3-pyhd8ed1ab_1.conda
   sha256: 570da295d421661af487f1595045760526964f41471021056e993e73089e9c41
   md5: b1b505328da7a6b246787df4b5a49fbc
@@ -2466,6 +3027,17 @@ packages:
   purls: []
   size: 3285204
   timestamp: 1748387766691
+- conda: https://conda.anaconda.org/conda-forge/noarch/toml-0.10.2-pyhd8ed1ab_2.conda
+  sha256: 5fe40fb250890a1f81be8c5ad0ba94b41ad614ce51e19098110f635dd9400f82
+  md5: 00d80af3a7bf27729484e786a68aafff
+  depends:
+  - python >=3.10
+  license: MIT
+  license_family: MIT
+  purls:
+  - pkg:pypi/toml?source=compressed-mapping
+  size: 22702
+  timestamp: 1763034696970
 - conda: https://conda.anaconda.org/conda-forge/noarch/traitlets-5.14.3-pyhd8ed1ab_1.conda
   sha256: f39a5620c6e8e9e98357507262a7869de2ae8cc07da8b7f84e517c9fd6c2b959
   md5: 019a7385be9af33791c989871317e1ed
@@ -2477,6 +3049,16 @@ packages:
   - pkg:pypi/traitlets?source=hash-mapping
   size: 110051
   timestamp: 1733367480074
+- conda: https://conda.anaconda.org/conda-forge/noarch/typing-3.10.0.0-pyhd8ed1ab_2.conda
+  sha256: 92b084dfd77571be23ef84ad695bbea169e844821484b6d47d99f04ea4de32e8
+  md5: 28abeb80aea7eb4914f3a7543a47e248
+  depends:
+  - python >=3.9
+  license: PSF-2.0
+  license_family: PSF
+  purls: []
+  size: 9502
+  timestamp: 1733927569850
 - conda: https://conda.anaconda.org/conda-forge/noarch/typing-extensions-4.15.0-h396c80c_0.conda
   sha256: 7c2df5721c742c2a47b2c8f960e718c930031663ac1174da67c1ed5999f7938c
   md5: edd329d7d3a4ab45dcf905899a7a6115
@@ -2518,6 +3100,20 @@ packages:
   purls: []
   size: 122968
   timestamp: 1742727099393
+- conda: https://conda.anaconda.org/conda-forge/linux-64/unicodedata2-17.0.0-py312h4c3975b_1.conda
+  sha256: 3c812c634e78cec74e224cc6adf33aed533d9fe1ee1eff7f692e1f338efb8c5b
+  md5: a0b8efbe73c90f810a171a6c746be087
+  depends:
+  - __glibc >=2.17,<3.0.a0
+  - libgcc >=14
+  - python >=3.12,<3.13.0a0
+  - python_abi 3.12.* *_cp312
+  license: Apache-2.0
+  license_family: Apache
+  purls:
+  - pkg:pypi/unicodedata2?source=compressed-mapping
+  size: 408399
+  timestamp: 1763054875733
 - conda: https://conda.anaconda.org/conda-forge/noarch/wcwidth-0.2.14-pyhd8ed1ab_0.conda
   sha256: e311b64e46c6739e2a35ab8582c20fa30eb608da130625ed379f4467219d4813
   md5: 7e1e5ff31239f9cd5855714df8a3783d
@@ -2529,6 +3125,17 @@ packages:
   - pkg:pypi/wcwidth?source=compressed-mapping
   size: 33670
   timestamp: 1758622418893
+- conda: https://conda.anaconda.org/conda-forge/noarch/wheel-0.45.1-pyhd8ed1ab_1.conda
+  sha256: 1b34021e815ff89a4d902d879c3bd2040bc1bd6169b32e9427497fa05c55f1ce
+  md5: 75cb7132eb58d97896e173ef12ac9986
+  depends:
+  - python >=3.9
+  license: MIT
+  license_family: MIT
+  purls:
+  - pkg:pypi/wheel?source=hash-mapping
+  size: 62931
+  timestamp: 1733130309598
 - conda: https://conda.anaconda.org/conda-forge/noarch/xarray-2025.10.1-pyhd8ed1ab_0.conda
   sha256: 5f0a1e3d55bce49076a2d6deaab201c6e6f1ad54f7d4ae371da21c6deae8412e
   md5: 9af9b8f25c97cd664e473124d06a6ab5
@@ -2667,6 +3274,18 @@ packages:
   - pkg:pypi/zipp?source=hash-mapping
   size: 22963
   timestamp: 1749421737203
+- conda: https://conda.anaconda.org/conda-forge/linux-64/zlib-ng-2.2.5-hde8ca8f_0.conda
+  sha256: 3a8e7798deafd0722b6b5da50c36b7f361a80b30165d600f7760d569a162ff95
+  md5: 1920c3502e7f6688d650ab81cd3775fd
+  depends:
+  - __glibc >=2.17,<3.0.a0
+  - libgcc >=14
+  - libstdcxx >=14
+  license: Zlib
+  license_family: Other
+  purls: []
+  size: 110843
+  timestamp: 1754587144298
 - conda: https://conda.anaconda.org/conda-forge/linux-64/zstd-1.5.7-hb8e6e7a_2.conda
   sha256: a4166e3d8ff4e35932510aaff7aa90772f84b4d07e9f6f83c614cba7ceefe0eb
   md5: 6432cb5d4ac0046c3ac0a8a0f95842f9
diff --git a/pyproject.toml b/pyproject.toml
index 428856c..e08b65f 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -1,6 +1,6 @@
 [project]
 name = "autoio"
-version = "2025.11.0"
+version = "0.2024.0"
 description = "I/O interfaces for external codes used by AutoMech"
 readme = "README.md"
 dependencies = []
@@ -58,7 +58,7 @@ pint = ">=0.25"
 pyparsing = ">=3.2.5"
 pyyaml = ">=6.0.3"
 qcelemental = ">=0.29.0"
-autochem = ">=2025.10.0"
+autochem = ">=0.2025.0,<2.0.0"
 
 #   - Environments
 [tool.pixi.pypi-dependencies]
@@ -72,10 +72,11 @@ pint = ">=0.25"
 pyparsing = ">=3.2.5"
 pyyaml = ">=6.0.3"
 qcelemental = ">=0.29.0"
-autochem = ">=2025.10.0"
+autochem = ">=0.2025.0,<2.0.0"
 
 [tool.pixi.feature.build.dependencies]
 rattler-build = ">=0.47.1"
+bumpver = ">=2025.1131,<2026"
 
 [tool.pixi.environments]
 test = ["test"]
@@ -134,3 +135,21 @@ depends-on = [
 
 [tool.pixi.feature.build.tasks]
 upload = "rattler-build upload anaconda -o Auto-Mech *.conda"
+current-version = "bumpver show -n | awk -F': ' '/Current Version: / {print $2}'"
+
+[tool.bumpver]
+current_version = "0.2024.0"
+version_pattern = "MAJOR.YYYY.PATCH"
+commit_message = "Release {new_version}"
+tag_message = "{new_version}"
+tag_scope = "default"
+pre_commit_hook = "scripts/update_lockfile.sh"
+post_commit_hook = ""
+commit = true
+tag = true
+push = true
+
+[tool.bumpver.file_patterns]
+"pyproject.toml" = [
+    'version = "{version}"',
+]
\ No newline at end of file
diff --git a/scripts/update_lockfile.sh b/scripts/update_lockfile.sh
new file mode 100755
index 0000000..289a4a1
--- /dev/null
+++ b/scripts/update_lockfile.sh
@@ -0,0 +1,8 @@
+#!/usr/bin/env bash
+
+set -e
+
+pixi lock 2>&1
+git add pixi.lock
+
+exit 0
\ No newline at end of file