diff --git a/.github/workflows/build.yaml b/.github/workflows/build.yaml
index 0cf6cb52..a6f3667f 100644
--- a/.github/workflows/build.yaml
+++ b/.github/workflows/build.yaml
@@ -27,12 +27,3 @@ jobs:
       - name: Build
         run: |
           pixi build
-
-      # Upload
-      - name: Upload
-        if: ${{ github.ref_name == 'dev' && github.repository_owner == 'Auto-Mech'}}
-        run: |
-          pixi run --frozen -e build upload
-        env:
-          ANACONDA_API_KEY: ${{ secrets.ANACONDA_API_KEY }}
-        continue-on-error: true
\ No newline at end of file
diff --git a/.github/workflows/release.yaml b/.github/workflows/release.yaml
new file mode 100644
index 00000000..7c6a7be6
--- /dev/null
+++ b/.github/workflows/release.yaml
@@ -0,0 +1,103 @@
+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
+    defaults:
+      run:
+        working-directory: mechdriver
+
+    steps:
+      # 1. Checkout the repositories
+      - name: Checkout merged mechdriver
+        uses: actions/checkout@v4
+        with:
+          ref: ${{ github.event.pull_request.base.ref }}
+          fetch-depth: 0
+          path: mechdriver
+
+      - name: Checkout autochem
+        uses: actions/checkout@v4
+        with:
+          repository: Auto-Mech/autochem
+          path: autochem
+
+      - name: Checkout autoio
+        uses: actions/checkout@v4
+        with:
+          repository: Auto-Mech/autoio
+          path: autoio
+
+      - name: Checkout autofile
+        uses: actions/checkout@v4
+        with:
+          repository: Auto-Mech/autofile
+          path: autofile
+
+      - name: Checkout mechanalyzer
+        uses: actions/checkout@v4
+        with:
+          repository: Auto-Mech/mechanalyzer
+          path: mechanalyzer
+
+      # 2. Setup environment
+      - name: Set up Pixi
+        uses: prefix-dev/setup-pixi@v0.9.3
+        with:
+          environments: build
+          locked: false
+          manifest-path: mechdriver
+
+      - name: Fetch bot identity
+        id: bot
+        uses: raven-actions/bot-details@v1
+
+      - name: Configure git for committing
+        run: |
+          git config user.name "${{ 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 }}
\ No newline at end of file
diff --git a/examples/stereo_quick/.gitignore b/examples/stereo_quick/.gitignore
new file mode 100644
index 00000000..3a040afa
--- /dev/null
+++ b/examples/stereo_quick/.gitignore
@@ -0,0 +1,3 @@
+*
+!.gitignore
+!inp/
diff --git a/examples/stereo_quick/inp/.gitignore b/examples/stereo_quick/inp/.gitignore
new file mode 100644
index 00000000..1ab933d2
--- /dev/null
+++ b/examples/stereo_quick/inp/.gitignore
@@ -0,0 +1,8 @@
+*
+!.gitignore
+!inp/
+!mechanism.dat
+!models.dat
+!run.dat
+!species.csv
+!theory.dat
diff --git a/examples/stereo_quick/inp/mechanism.dat b/examples/stereo_quick/inp/mechanism.dat
new file mode 100644
index 00000000..8858393d
--- /dev/null
+++ b/examples/stereo_quick/inp/mechanism.dat
@@ -0,0 +1,6 @@
+REACTIONS    CAL/MOL   MOL
+
+C3o2 + OH = C3o2y1r0 + H2O              1.000      0.000      0.000   # pes.subpes.channel  1.1.1
+C3o2 + OH = C3o2y1r1 + H2O              1.000      0.000      0.000   # pes.subpes.channel  1.1.2
+
+END
diff --git a/examples/stereo_quick/inp/models.dat b/examples/stereo_quick/inp/models.dat
new file mode 100644
index 00000000..e7fa0ab0
--- /dev/null
+++ b/examples/stereo_quick/inp/models.dat
@@ -0,0 +1,59 @@
+
+kin global
+    pressures = (
+        0.1  1.0  10.0 100.0
+    )
+    rate_temps = (
+        500. 600. 700. 800. 900. 1000.
+        1100. 1200. 1300. 1400. 1500
+        1600. 1700. 1800. 1900. 2000.
+    )
+    therm_temps = (
+        200. 300. 400. 500. 600. 700. 800. 900. 1000. 1100. 1200.
+        1300. 1400. 1500. 1600. 1700. 1800. 1900. 2000. 2100. 2200.
+        2300. 2400. 2500. 2600. 2700. 2800. 2900. 3000.
+    )
+    rate_fit = (
+        fit_method = plog
+        pdep_temps = [500.0, 1000.0]
+        pdep_tol = 20.0
+        pdep_pval = 1.0
+        pdep_plow = None
+        pdep_phigh = None
+        arrfit_dbltol = 15.0
+    )
+    therm_fit = (
+        ref_scheme = basic
+        ref_enes = Best
+    )
+end kin
+
+spc global
+    ene = (
+        lvl1 = dft
+    )
+    rot = (
+        mod = rigid
+    )
+    vib = (
+        mod = harm
+        geolvl = pm3
+        scale = on
+    )
+    tors = (
+        mod = rigid
+        enelvl = pm3
+        geolvl = pm3
+        scale = on
+    )
+    symm = (
+        mod = HCO_model
+        geolvl = pm3
+    )
+    ts = (
+        tunnel = eckart
+        sadpt = fixed
+        wells = fake
+        nobar = pst
+    )
+end spc
diff --git a/examples/stereo_quick/inp/run.dat b/examples/stereo_quick/inp/run.dat
new file mode 100644
index 00000000..198c11e5
--- /dev/null
+++ b/examples/stereo_quick/inp/run.dat
@@ -0,0 +1,38 @@
+
+input
+    run_prefix = ./run
+    save_prefix = ./save
+    canonical = True
+end input
+
+spc
+    # Runs canonical enantiomers *only*
+    1-6
+end spc
+
+pes
+    # Runs non-canonical enantiomers *only*
+    # (To verify that `canonical = True` is working)
+    1: 2
+end pes
+
+els
+    # No conformer sampling
+    spc init_geom   runlvl=pm3 inplvl=pm3
+    ts find_ts      runlvl=pm3 inplvl=pm3
+    all conf_hess   runlvl=pm3 inplvl=pm3
+    all conf_energy runlvl=dft  inplvl=pm3
+end els
+
+thermo
+    write_mess  kin_model=global spc_model=global cnf_range=min sort=freqs(pm3),sp(pm3),gibbs(700)
+    run_mess    kin_model=global spc_model=global cnf_range=min sort=freqs(pm3),sp(pm3),gibbs(700) nprocs=10
+    run_fits    kin_model=global spc_model=global cnf_range=min sort=freqs(pm3),sp(pm3),gibbs(700)
+end thermo
+
+ktp
+    write_mess  kin_model=global spc_model=global
+    run_mess    kin_model=global spc_model=global nprocs=10
+    run_fits    kin_model=global spc_model=global
+end ktp
+
diff --git a/examples/stereo_quick/inp/species.csv b/examples/stereo_quick/inp/species.csv
new file mode 100644
index 00000000..8e7e5c93
--- /dev/null
+++ b/examples/stereo_quick/inp/species.csv
@@ -0,0 +1,8 @@
+'name','smiles','inchi','inchikey','mult','charge','canon_enant_ich'
+'H2','[H][H]','InChI=1S/H2/h1H','UFHFLCQGNIYNRP-UHFFFAOYSA-N',1,0,'InChI=1S/H2/h1H'
+'CH4','C','InChI=1S/CH4/h1H4','VNWKTOKETHGBQD-UHFFFAOYSA-N',1,0,'InChI=1S/CH4/h1H4'
+'H2O','O','InChI=1S/H2O/h1H2','XLYOFNOQVPJJNP-UHFFFAOYSA-N',1,0,'InChI=1S/H2O/h1H2'
+'OH','[OH]','InChI=1S/HO/h1H','TUJKJAMUKRIRHC-UHFFFAOYSA-N','2','0','InChI=1S/HO/h1H'
+'C3o2','CC(C)O','InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3','KFZMGEQAYNKOFK-UHFFFAOYSA-N','1','0','InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3'
+'C3o2y1r0','[CH2][C@@H](C)O','InChI=1S/C3H7O/c1-3(2)4/h3-4H,1H2,2H3/t3-/m0/s1','INKFUXNIEHXFJX-VKHMYHEASA-N','2','0','InChI=1S/C3H7O/c1-3(2)4/h3-4H,1H2,2H3/t3-/m0/s1'
+'C3o2y1r1','[CH2][C@H](C)O','InChI=1S/C3H7O/c1-3(2)4/h3-4H,1H2,2H3/t3-/m1/s1','INKFUXNIEHXFJX-GSVOUGTGSA-N','2','0','InChI=1S/C3H7O/c1-3(2)4/h3-4H,1H2,2H3/t3-/m0/s1'
diff --git a/examples/stereo_quick/inp/theory.dat b/examples/stereo_quick/inp/theory.dat
new file mode 100644
index 00000000..086061c9
--- /dev/null
+++ b/examples/stereo_quick/inp/theory.dat
@@ -0,0 +1,24 @@
+level pm3
+    method = pm3
+    orb_res = RU
+    program = gaussian16
+    mem = 1.0
+    nprocs = 1
+end level
+
+level pm6
+    method = pm6
+    orb_res = RU
+    program = gaussian16
+    mem = 1.0
+    nprocs = 1
+end level
+
+level dft
+    method = bp86
+    basis = def2-sv(p)
+    orb_res = RU
+    program = gaussian16
+    mem = 2.0
+    nprocs = 1
+end level
diff --git a/examples/ts_conf/.gitignore b/examples/ts_conf/.gitignore
new file mode 100644
index 00000000..3a040afa
--- /dev/null
+++ b/examples/ts_conf/.gitignore
@@ -0,0 +1,3 @@
+*
+!.gitignore
+!inp/
diff --git a/examples/ts_conf/inp/.gitignore b/examples/ts_conf/inp/.gitignore
new file mode 100644
index 00000000..1ab933d2
--- /dev/null
+++ b/examples/ts_conf/inp/.gitignore
@@ -0,0 +1,8 @@
+*
+!.gitignore
+!inp/
+!mechanism.dat
+!models.dat
+!run.dat
+!species.csv
+!theory.dat
diff --git a/examples/ts_conf/inp/mechanism.dat b/examples/ts_conf/inp/mechanism.dat
new file mode 100644
index 00000000..44c5bc1b
--- /dev/null
+++ b/examples/ts_conf/inp/mechanism.dat
@@ -0,0 +1,5 @@
+REACTIONS    CAL/MOL   MOL
+
+CH4 + OH = CH3 + H2O              1.000      0.000      0.000         # pes.subpes.channel  1.1.1
+
+END
diff --git a/examples/ts_conf/inp/models.dat b/examples/ts_conf/inp/models.dat
new file mode 100644
index 00000000..581ea8d1
--- /dev/null
+++ b/examples/ts_conf/inp/models.dat
@@ -0,0 +1,59 @@
+
+kin global
+    pressures = (
+        0.1  1.0  10.0 100.0
+    )
+    rate_temps = (
+        500. 600. 700. 800. 900. 1000.
+        1100. 1200. 1300. 1400. 1500
+        1600. 1700. 1800. 1900. 2000.
+    )
+    therm_temps = (
+        200. 300. 400. 500. 600. 700. 800. 900. 1000. 1100. 1200.
+        1300. 1400. 1500. 1600. 1700. 1800. 1900. 2000. 2100. 2200.
+        2300. 2400. 2500. 2600. 2700. 2800. 2900. 3000.
+    )
+    rate_fit = (
+        fit_method = plog
+        pdep_temps = [500.0, 1000.0]
+        pdep_tol = 20.0
+        pdep_pval = 1.0
+        pdep_plow = None
+        pdep_phigh = None
+        arrfit_dbltol = 15.0
+    )
+    therm_fit = (
+        ref_scheme = basic
+        ref_enes = Best
+    )
+end kin
+
+spc global
+    ene = (
+        lvl1 = dft
+    )
+    rot = (
+        mod = rigid
+    )
+    vib = (
+        mod = harm
+        geolvl = pm3
+        scale = on
+    )
+    tors = (
+        mod = 1dhrfa
+        enelvl = pm3
+        geolvl = pm3
+        scale = on
+    )
+    symm = (
+        mod = HCO_model
+        geolvl = pm3
+    )
+    ts = (
+        tunnel = eckart
+        sadpt = fixed
+        wells = fake
+        nobar = pst
+    )
+end spc
diff --git a/examples/ts_conf/inp/run.dat b/examples/ts_conf/inp/run.dat
new file mode 100644
index 00000000..6ab4785a
--- /dev/null
+++ b/examples/ts_conf/inp/run.dat
@@ -0,0 +1,35 @@
+
+input
+    run_prefix = ./run
+    save_prefix = ./save
+end input
+
+spc
+    1-5
+end spc
+
+pes
+    1: 1
+end pes
+
+els
+    spc init_geom   runlvl=pm3 inplvl=pm3
+    ts find_ts      runlvl=pm3 inplvl=pm3
+    all conf_samp   runlvl=pm3 inplvl=pm3
+    all conf_hess   runlvl=pm3 inplvl=pm3 cnf_range=n100
+    all conf_energy runlvl=dft  inplvl=pm3 cnf_range=min sort=freqs(pm3),sp(pm3),gibbs(700)
+    all hr_scan     runlvl=pm3 inplvl=pm3 cnf_range=min sort=freqs(pm3),sp(pm3),gibbs(700) tors_model=1dhrfa
+end els
+
+thermo
+    write_mess  kin_model=global spc_model=global cnf_range=min sort=freqs(pm3),sp(pm3),gibbs(700)
+    run_mess    kin_model=global spc_model=global cnf_range=min sort=freqs(pm3),sp(pm3),gibbs(700) nprocs=10
+    run_fits    kin_model=global spc_model=global cnf_range=min sort=freqs(pm3),sp(pm3),gibbs(700)
+end thermo
+
+ktp
+    write_mess  kin_model=global spc_model=global
+    run_mess    kin_model=global spc_model=global nprocs=10
+    run_fits    kin_model=global spc_model=global
+end ktp
+
diff --git a/examples/ts_conf/inp/species.csv b/examples/ts_conf/inp/species.csv
new file mode 100644
index 00000000..b6d704e7
--- /dev/null
+++ b/examples/ts_conf/inp/species.csv
@@ -0,0 +1,6 @@
+'name','smiles','inchi','inchikey','mult','charge','canon_enant_ich'
+'H2','[H][H]','InChI=1S/H2/h1H','UFHFLCQGNIYNRP-UHFFFAOYSA-N',1,0,'InChI=1S/H2/h1H'
+'OH','[OH]','InChI=1S/HO/h1H','TUJKJAMUKRIRHC-UHFFFAOYSA-N','2','0','InChI=1S/HO/h1H'
+'H2O','O','InChI=1S/H2O/h1H2','XLYOFNOQVPJJNP-UHFFFAOYSA-N','1','0','InChI=1S/H2O/h1H2'
+'CH3','[CH3]','InChI=1S/CH3/h1H3','WCYWZMWISLQXQU-UHFFFAOYSA-N','2','0','InChI=1S/CH3/h1H3'
+'CH4','C','InChI=1S/CH4/h1H4','VNWKTOKETHGBQD-UHFFFAOYSA-N','1','0','InChI=1S/CH4/h1H4'
diff --git a/examples/ts_conf/inp/theory.dat b/examples/ts_conf/inp/theory.dat
new file mode 100644
index 00000000..e69f7a03
--- /dev/null
+++ b/examples/ts_conf/inp/theory.dat
@@ -0,0 +1,16 @@
+level pm3
+    method = pm3
+    orb_res = RU
+    program = gaussian16
+    mem = 1.0
+    nprocs = 1
+end level
+
+level dft
+    method = bp86
+    basis = def2-sv(p)
+    orb_res = RU
+    program = gaussian16
+    mem = 2.0
+    nprocs = 1
+end level
diff --git a/pixi.lock b/pixi.lock
index 2ab2d78d..4fa3f23d 100644
--- a/pixi.lock
+++ b/pixi.lock
@@ -14,6 +14,7 @@ environments:
       - 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/linux-64/arpack-3.9.1-nompi_hf03ea27_102.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-3.0.1-pyhd8ed1ab_0.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-0.2025.0-pyh4616a5c_0.conda
@@ -21,12 +22,14 @@ environments:
       - conda: https://conda.anaconda.org/Auto-Mech/noarch/autoio-0.2025.0-pyh4616a5c_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/brotli-1.2.0-h41a2e66_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/brotli-bin-1.2.0-hf2c8021_0.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-2025.11.12-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-3.4.4-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/click-8.3.1-pyh707e725_0.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/contourpy-1.3.3-py313h7037e92_3.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/linux-64/dbus-1.16.2-h3c4dab8_0.conda
@@ -42,13 +45,13 @@ 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-hc364b38_1.conda
-      - 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/glpk-5.0-h445213a_0.tar.bz2
       - conda: https://conda.anaconda.org/conda-forge/linux-64/gmp-6.3.0-hac33072_2.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/graphite2-1.3.14-hecca717_2.conda
-      - 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/harfbuzz-12.2.0-h15599e2_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/icu-75.1-he02047a_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/igraph-1.0.0-hfe3e89f_0.conda
@@ -60,14 +63,16 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-4.25.1-pyhe01879c_0.conda
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+  - libexpat >=2.7.1,<3.0a0
+  - libffi >=3.5.2,<3.6.0a0
+  - libgcc >=14
+  - liblzma >=5.8.1,<6.0a0
+  - libnsl >=2.0.1,<2.1.0a0
+  - libsqlite >=3.50.4,<4.0a0
+  - libuuid >=2.41.2,<3.0a0
+  - libxcrypt >=4.4.36
+  - libzlib >=1.3.1,<2.0a0
+  - ncurses >=6.5,<7.0a0
+  - openssl >=3.5.4,<4.0a0
+  - readline >=8.2,<9.0a0
+  - tk >=8.6.13,<8.7.0a0
+  - tzdata
+  constrains:
+  - python_abi 3.12.* *_cp312
+  license: Python-2.0
+  purls: []
+  size: 31537229
+  timestamp: 1761176876216
 - conda: https://conda.anaconda.org/conda-forge/linux-64/python-3.13.9-hc97d973_101_cp313.conda
   build_number: 101
   sha256: e89da062abd0d3e76c8d3b35d3cafc5f0d05914339dcb238f9e3675f2a58d883
@@ -3602,6 +4029,23 @@ packages:
   purls: []
   size: 48385
   timestamp: 1761175154112
+- conda: https://conda.anaconda.org/conda-forge/linux-64/python-igraph-1.0.0-py312h1289d80_0.conda
+  sha256: 5c639d4587c59b72a54ce3a87544cb2bc5b60688acb0b9f32e83007f67972b5e
+  md5: 29b32941e0811caa3a318685deb29246
+  depends:
+  - __glibc >=2.17,<3.0.a0
+  - igraph >=1.0.0,<1.1.0a0
+  - libgcc >=14
+  - libstdcxx >=14
+  - python >=3.12,<3.13.0a0
+  - python_abi 3.12.* *_cp312
+  - texttable >=1.6.2
+  license: GPL-2.0-or-later
+  license_family: GPL
+  purls:
+  - pkg:pypi/igraph?source=hash-mapping
+  size: 657387
+  timestamp: 1761816728227
 - conda: https://conda.anaconda.org/conda-forge/linux-64/python-igraph-1.0.0-py313h7033f15_0.conda
   sha256: 0b5b67ad6a768e65d15e4c977c5f12280d8cac1c4e4a9258d7d66e941abac173
   md5: 2e61e980f7352899d5c3e8a2498e89cd
@@ -3630,6 +4074,17 @@ packages:
   - pkg:pypi/tzdata?source=hash-mapping
   size: 144160
   timestamp: 1742745254292
+- conda: https://conda.anaconda.org/conda-forge/noarch/python_abi-3.12-8_cp312.conda
+  build_number: 8
+  sha256: 80677180dd3c22deb7426ca89d6203f1c7f1f256f2d5a94dc210f6e758229809
+  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
@@ -3652,6 +4107,21 @@ packages:
   - pkg:pypi/pytz?source=hash-mapping
   size: 189015
   timestamp: 1742920947249
+- conda: https://conda.anaconda.org/conda-forge/linux-64/pyyaml-6.0.3-py312h8a5da7c_0.conda
+  sha256: 1b3dc4c25c83093fff08b86a3574bc6b94ba355c8eba1f35d805c5e256455fc7
+  md5: fba10c2007c8b06f77c5a23ce3a635ad
+  depends:
+  - __glibc >=2.17,<3.0.a0
+  - libgcc >=14
+  - 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=hash-mapping
+  size: 204539
+  timestamp: 1758892248166
 - conda: https://conda.anaconda.org/conda-forge/linux-64/pyyaml-6.0.3-py313h3dea7bd_0.conda
   sha256: 40dcd6718dce5fbee8aabdd0519f23d456d8feb2e15ac352eaa88bbfd3a881af
   md5: 4794ea0adaebd9f844414e594b142cb2
@@ -3788,6 +4258,35 @@ packages:
   purls: []
   size: 16825043
   timestamp: 1763444186145
+- 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/rdkit-2025.09.2-py313h66a1ddb_1.conda
   sha256: 861244cc498025a619ff0c7522eace0de4fa72dd621be1b2d05fc5f9baf7470b
   md5: 6941b7f8ce4d117890c7ece3a6005bec
@@ -3861,6 +4360,24 @@ 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
@@ -3874,6 +4391,22 @@ packages:
   - pkg:pypi/rlpycairo?source=hash-mapping
   size: 15558
   timestamp: 1756864268077
+- 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/rpds-py-0.29.0-py313h843e2db_0.conda
   sha256: 62497cad6c88b43285a03876f3638ba4fbe9b4e34ff40b7dee6bed227bc1476b
   md5: 53275b00b1838e2b0c40d5a7c14dcd41
@@ -3890,6 +4423,29 @@ packages:
   - pkg:pypi/rpds-py?source=hash-mapping
   size: 384617
   timestamp: 1763326800853
+- 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/linux-64/scipy-1.16.3-py313h11c21cd_1.conda
   sha256: 901d040d684202b73ea55b10a6994ba7fdc9b332764d50e3c29c3e1f542c9330
   md5: 26b089b9e5fcdcdca714b01f8008d808
@@ -3913,6 +4469,17 @@ packages:
   - pkg:pypi/scipy?source=hash-mapping
   size: 16925821
   timestamp: 1763220671565
+- 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
@@ -3925,6 +4492,22 @@ packages:
   - pkg:pypi/six?source=hash-mapping
   size: 18455
   timestamp: 1753199211006
+- 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/linux-64/sqlalchemy-2.0.44-py313h07c4f96_0.conda
   sha256: 0c67d1f65388aa8ba2ed9a577ada786a0443cf696209b856ed085cf4fee80081
   md5: 57247c3902e6466acad8dad9963bb146
@@ -3989,6 +4572,17 @@ packages:
   purls: []
   size: 3284905
   timestamp: 1763054914403
+- 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/tomli-2.3.0-pyhcf101f3_0.conda
   sha256: cb77c660b646c00a48ef942a9e1721ee46e90230c7c570cdeb5a893b5cce9bff
   md5: d2732eb636c264dc9aa4cbee404b1a53
@@ -4001,6 +4595,20 @@ packages:
   - pkg:pypi/tomli?source=compressed-mapping
   size: 20973
   timestamp: 1760014679845
+- conda: https://conda.anaconda.org/conda-forge/linux-64/tornado-6.5.2-py312h4c3975b_2.conda
+  sha256: aecc1ec07a13693922b0b7db52486298ab1cbfdbf1e20043941d660f868d7881
+  md5: 2f03dbd34c9706d67b7c9ee815cc89ef
+  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/tornado?source=hash-mapping
+  size: 851236
+  timestamp: 1762506907752
 - conda: https://conda.anaconda.org/conda-forge/linux-64/tornado-6.5.2-py313h07c4f96_2.conda
   sha256: 8ef12814ebf787553b351c919d40a599e2331aefec639aef5ce6117cbcfc6a28
   md5: 7824f18e343d1f846dcde7b23c9bf31a
@@ -4042,6 +4650,16 @@ 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
@@ -4083,6 +4701,20 @@ 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/linux-64/wayland-1.24.0-hd6090a7_1.conda
   sha256: 3aa04ae8e9521d9b56b562376d944c3e52b69f9d2a0667f77b8953464822e125
   md5: 035da2e4f5770f036ff704fa17aace24
@@ -4108,6 +4740,17 @@ packages:
   - pkg:pypi/wcwidth?source=hash-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-2025.11.0-pyhcf101f3_0.conda
   sha256: 9e003931f4a3b6a1ee5740273a736127f2a7146036bf3d4ce6b8c7d332c12fde
   md5: e5770e751eb8b23cd86571400e8722be
diff --git a/pyproject.toml b/pyproject.toml
index a6b4a2f0..5630bf0a 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -90,6 +90,7 @@ mechanalyzer = "==0.2025.0"
 
 [tool.pixi.feature.build.dependencies]
 rattler-build = ">=0.47.1"
+bumpver = ">=2025.1131,<2026"
 
 [tool.pixi.feature.test.dependencies]
 pytest = "*"
@@ -143,3 +144,24 @@ dev-test = { cmd = "./scripts/test.py" }
 
 [tool.pixi.feature.build.tasks]
 upload = "rattler-build upload anaconda -o Auto-Mech *.conda"
+current-version = "bumpver show -n | awk -F': ' '/Current Version: / {print $2}'"
+
+[tool.bumpver]
+current_version = "0.2024.0"
+version_pattern = "MAJOR.YYYY.PATCH"
+commit_message = "Release {new_version}"
+tag_message = "{new_version}"
+tag_scope = "default"
+pre_commit_hook = "scripts/update_lockfile.sh"
+post_commit_hook = ""
+commit = true
+tag = true
+push = true
+
+[tool.bumpver.file_patterns]
+"pyproject.toml" = [
+    'version = "{version}"',
+]
+"src/mechdriver/__init__.py" = [
+    '__version__ = "{version}"',
+]
\ No newline at end of file
diff --git a/scripts/dev-setup-repos.sh b/scripts/dev-setup-repos.sh
index 30707425..c17c70f8 100644
--- a/scripts/dev-setup-repos.sh
+++ b/scripts/dev-setup-repos.sh
@@ -19,7 +19,7 @@ MODE=${3}
 BRANCH=${4:-dev}
 
 DEFAULT_USERNAME=$(git config --global user.name)
-if [ -z "$DEFAULT_USERNAME" ]; then
+if [[ -z "$DEFAULT_USERNAME" && -z "$USERNAME" ]]; then
     read -p "Please enter your GitHub username: " USERNAME
 fi
 
@@ -42,7 +42,11 @@ echo "  Username - ${USERNAME}"
 echo "  Update   - ${UPSTREAM}"
 echo "  Mode     - ${MODE}"
 echo "  Branch   - ${BRANCH}"
-read -p "Is this correct? If so, press enter to continue"
+if [[ -n "$1" && -n "$2" && -n "$3" ]]; then
+    echo "All arguments were provided via command line. Skipping confirmation."
+else
+    read -p "Is this correct? If so, press enter to continue"
+fi
 
 CLONE_PREFIX="https://github.com/${USERNAME}"
 if [ "${MODE}" == "ssh" ]; then
diff --git a/scripts/node.sh b/scripts/node.sh
index 1fc24e81..668c79ac 100644
--- a/scripts/node.sh
+++ b/scripts/node.sh
@@ -7,7 +7,7 @@ WD=${INIT_CWD:-$(pwd)}
 # (Must be the first argument)
 NODE=${1}
 LOG=${2:-"out.log"}
-COMMAND=${3:-"automech run"}
+COMMAND=${3:-"mechdriver run"}
 
 echo "Arguments:"
 echo "  NODE=${NODE}"
diff --git a/scripts/update_lockfile.sh b/scripts/update_lockfile.sh
new file mode 100755
index 00000000..289a4a1d
--- /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
diff --git a/src/mechdriver/__init__.py b/src/mechdriver/__init__.py
index 2777f1d0..e3a85117 100644
--- a/src/mechdriver/__init__.py
+++ b/src/mechdriver/__init__.py
@@ -3,4 +3,7 @@
 from . import query, subtasks
 from .base import check_log, run
 
+
+__version__ = "0.2024.0"
+
 __all__ = ["query", "subtasks", "check_log", "run"]
diff --git a/tests/archive.tgz b/tests/archive.tgz
index 5d22ebea..44810924 100644
Binary files a/tests/archive.tgz and b/tests/archive.tgz differ
diff --git a/tests/tests.yaml b/tests/tests.yaml
index 2b4b0e00..a0a5dbb2 100644
--- a/tests/tests.yaml
+++ b/tests/tests.yaml
@@ -4,4 +4,5 @@
 - hco_prompt
 - ch3o_prompt
 - vtst
-- stereo
+- ts_conf
+- stereo_quick