diff --git a/.github/workflows/cont_int.yml b/.github/workflows/cont_int.yml
new file mode 100644
index 00000000..377cef79
--- /dev/null
+++ b/.github/workflows/cont_int.yml
@@ -0,0 +1,89 @@
+name: CI
+
+on:
+  push:
+    branches:
+      - main
+  pull_request:
+    branches:
+      - main
+    types: [opened, synchronize, reopened, ready_for_review]
+  schedule:
+    - cron: '0 0 * * *'
+
+
+jobs:
+  build:
+    runs-on: ubuntu-latest
+    defaults:
+      run:
+        shell: bash -el {0}
+    
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v3
+        with:
+          fetch-depth: 0
+
+      - name: Checkout RMG-Py
+        uses: actions/checkout@v3
+        with:
+          repository: ReactionMechanismGenerator/RMG-Py
+          path: RMG-Py
+          ref: main
+          fetch-depth: 1
+      
+      - name: Checkout RMG-database
+        uses: actions/checkout@v3
+        with:
+          repository: ReactionMechanismGenerator/RMG-database
+          path: RMG-database
+          ref: main
+          fetch-depth: 1
+
+      - name: Set up AutoTST
+        uses: conda-incubator/setup-miniconda@v2
+        with:
+          environment-file: environment.yml
+          miniforge-variant: Mambaforge
+          miniforge-version: latest
+          activate-environment: tst_env
+          use-mamba: true
+        
+      - name: Update Environment
+        run: |
+          mamba env update -f environment.yml
+      
+      - name: Add AUTOTST to ENV
+        run: |
+          export AUTOTST=$(pwd)
+          export PYTHONPATH=$PYTHONPATH:$AUTOTST
+          echo 'export PYTHONPATH=$PYTHONPATH:'"$(pwd)" >> $GITHUB_ENV
+          echo 'export PATH=$PATH:'"$(pwd)" >> $GITHUB_ENV
+          echo 'export PYTHONPATH=$PYTHONPATH:'"$(pwd)" >> ~/.bashrc
+          echo 'export PATH=$PATH:'"$(pwd)" >> ~/.bashrc
+      
+      - name: Install RMG-Py
+        run: |
+          cd RMG-Py
+          mamba env create -f environment.yml
+          cd ..
+
+      - name: Cythonize RMG-Py
+        run: |
+          cd RMG-Py
+          conda activate rmg_env
+          make
+          echo "PYTHONPATH=$(pwd):$PYTHONPATH" >> $GITHUB_ENV
+          echo "PATH=$(pwd):$PATH" >> $GITHUB_ENV
+          echo "export rmgpy_path=$(pwd)" >> $GITHUB_ENV
+          echo "PYTHONPATH=$(pwd):$PYTHONPATH" >> ~/.bashrc
+          echo "PATH=$(pwd):$PATH" >> ~/.bashrc
+          echo "export rmgpy_path=$(pwd)" >> ~/.bashrc
+      
+      - name: Unittest
+        run: |
+          source ~/.bashrc
+          conda activate tst_env
+          make unittests
+        
\ No newline at end of file
diff --git a/.gitignore b/.gitignore
index 5b3e5770..7b2a05fd 100644
--- a/.gitignore
+++ b/.gitignore
@@ -33,6 +33,6 @@
 *.symm
 *.ase
 *.com
-*.log
+
 *.ts
 *.kinetics
diff --git a/autotst/calculator/gaussian.py b/autotst/calculator/gaussian.py
index 550093c7..a0af1442 100644
--- a/autotst/calculator/gaussian.py
+++ b/autotst/calculator/gaussian.py
@@ -35,9 +35,9 @@
 import cclib.io
 
 import autotst
-from ..reaction import Reaction, TS
-from ..species import Species, Conformer
-from ..geometry import Torsion
+from autotst.reaction import Reaction, TS
+from autotst.species import Species, Conformer
+from autotst.geometry import Torsion
 
 import ase
 import ase.calculators.gaussian
@@ -179,7 +179,8 @@ def get_rotor_calc(self,
             addsec=[addsec[:-1]])
 
         ase_gaussian.atoms = self.conformer.ase_molecule
-        del ase_gaussian.parameters['force']
+        if 'force' in ase_gaussian.parameters:
+            del ase_gaussian.parameters['force']
         return ase_gaussian
 
     def get_conformer_calc(self):
@@ -232,7 +233,8 @@ def get_conformer_calc(self):
             extra=f"opt=(calcfc,maxcycles=900,{self.convergence}) freq IOP(7/33=1,2/16=3) scf=(maxcycle=900)",
             multiplicity=self.conformer.rmg_molecule.multiplicity)
         ase_gaussian.atoms = self.conformer.ase_molecule
-        del ase_gaussian.parameters['force']
+        if 'force' in ase_gaussian.parameters:
+            del ase_gaussian.parameters['force']
         return ase_gaussian
 
     def get_shell_calc(self):
@@ -293,7 +295,8 @@ def get_shell_calc(self):
             addsec=[combos]
         )
         ase_gaussian.atoms = self.conformer.ase_molecule
-        del ase_gaussian.parameters['force']
+        if 'force' in ase_gaussian.parameters:
+            del ase_gaussian.parameters['force']
 
         return ase_gaussian
 
@@ -353,7 +356,9 @@ def get_center_calc(self):
             addsec=[addsec[:-1]]
         )
         ase_gaussian.atoms = self.conformer.ase_molecule
-        del ase_gaussian.parameters['force']
+
+        if 'force' in ase_gaussian.parameters:
+            del ase_gaussian.parameters['force']
 
         return ase_gaussian
 
@@ -399,7 +404,8 @@ def get_overall_calc(self):
             extra="opt=(ts,calcfc,noeigentest,maxcycles=900) freq scf=(maxcycle=900) IOP(7/33=1,2/16=3)",
             multiplicity=self.conformer.rmg_molecule.multiplicity)
         ase_gaussian.atoms = self.conformer.ase_molecule
-        del ase_gaussian.parameters['force']
+        if 'force' in ase_gaussian.parameters:
+            del ase_gaussian.parameters['force']
 
         return ase_gaussian
 
@@ -444,7 +450,8 @@ def get_irc_calc(self):
             multiplicity=self.conformer.rmg_molecule.multiplicity
         )
         ase_gaussian.atoms = self.conformer.ase_molecule
-        del ase_gaussian.parameters['force']
+        if 'force' in ase_gaussian.parameters:
+            del ase_gaussian.parameters['force']
 
         return ase_gaussian
 
diff --git a/autotst/calculator/gaussian_test.py b/autotst/calculator/gaussian_test.py
index 0b9b14e2..ad6ec121 100644
--- a/autotst/calculator/gaussian_test.py
+++ b/autotst/calculator/gaussian_test.py
@@ -34,10 +34,12 @@
 import cclib.io
 
 import autotst
-from ..reaction import Reaction, TS
-from ..species import Species, Conformer
-from ..geometry import Torsion
-from .gaussian import Gaussian
+from autotst.common import AUTOTST_PATH
+from autotst.reaction import Reaction, TS
+from autotst.species import Species, Conformer
+from autotst.geometry import Torsion
+from autotst.calculator.gaussian import Gaussian
+
 
 import ase
 import ase.calculators.gaussian
@@ -48,7 +50,7 @@
 
 class TestGaussian(unittest.TestCase):
     def setUp(self):
-        os.environ["PATH"] = os.path.expandvars("$AUTOTST/test/bin:") + os.environ["PATH"]
+        os.environ["PATH"] = os.path.join(AUTOTST_PATH, "test/bin") + os.pathsep + os.environ["PATH"]
         rxn = Reaction(label='C+[O]O_[CH3]+OO')
         ts = rxn.ts["forward"][0]
         ts.get_molecules()
@@ -105,11 +107,11 @@ def test_irc_calc(self):
         self.assertIsInstance(calc_dict,dict)
 
     def tearDown(self):
-        if os.path.exists(os.path.expandvars("$AUTOTST/autotst/calculator/ts")):
-            shutil.rmtree(os.path.expandvars("$AUTOTST/autotst/calculator/ts"))
-        if os.path.exists(os.path.expandvars("$AUTOTST/autotst/calculator/species")):
-            shutil.rmtree(os.path.expandvars("$AUTOTST/autotst/calculator/species"))
-
+        if os.path.exists(os.path.join(AUTOTST_PATH, "calculator/ts")):
+            shutil.rmtree(os.path.join(AUTOTST_PATH, "calculator/ts"))
+        if os.path.exists(os.path.join(AUTOTST_PATH, "calculator/species")):
+            shutil.rmtree(os.path.join(AUTOTST_PATH, "calculator/species"))
+            
 if __name__ == "__main__":
     unittest.main(testRunner=unittest.TextTestRunner(verbosity=2))
     
diff --git a/autotst/calculator/orca_test.py b/autotst/calculator/orca_test.py
index 95223684..90889948 100644
--- a/autotst/calculator/orca_test.py
+++ b/autotst/calculator/orca_test.py
@@ -31,15 +31,17 @@
 import unittest
 import os, shutil
 
-from .orca import Orca
-from ..species import Conformer
+from autotst.common import AUTOTST_PATH
+from autotst.calculator.orca import Orca
+from autotst.species import Conformer
+
+
 
 class TestOrca(unittest.TestCase):
 
     def setUp(self):
         conf = Conformer(smiles='C')
-        self.orca = Orca(conformer=conf, directory=os.path.expandvars(
-            "$AUTOTST/autotst/calculator/fod"))
+        self.orca = Orca(conformer=conf, directory=os.path.join(AUTOTST_PATH,"calculator/fod"))
 
     def test_load_conformer_attributes(self):
         charge = 0
@@ -59,21 +61,17 @@ def test_write_fod_input(self):
         self.assertTrue(os.path.exists(os.path.join(self.orca.directory,'C_fod.inp')))
 
     def test_check_normal_termination(self):
-        path = os.path.expandvars(
-            "$AUTOTST/test/bin/log-files/C_fod.log")
+        path = os.path.join(AUTOTST_PATH,"test/bin/log-files/C_fod.log")
         self.assertTrue(self.orca.check_normal_termination(path))
 
     def test_read_fod_log(self):
-        path = os.path.expandvars(
-            "$AUTOTST/test/bin/log-files/C_fod.log")
+        path = os.path.join(AUTOTST_PATH,"test/bin/log-files/C_fod.log")
         fod = self.orca.read_fod_log(path)
         self.assertEquals(float(0.000025),fod)
 
     def tearDown(self):
-
-        if os.path.exists(os.path.expandvars("$AUTOTST/autotst/calculator/fod")):
-            shutil.rmtree(os.path.expandvars(
-                "$AUTOTST/autotst/calculator/fod"))
+        if os.path.exists(os.path.join(AUTOTST_PATH,"calculator/fod")):
+            shutil.rmtree(os.path.join(AUTOTST_PATH,"calculator/fod"))
 
 if __name__ == "__main__":
     unittest.main(testRunner=unittest.TextTestRunner(verbosity=2))
diff --git a/autotst/calculator/statmech_test.py b/autotst/calculator/statmech_test.py
index 30d67693..df87ec87 100644
--- a/autotst/calculator/statmech_test.py
+++ b/autotst/calculator/statmech_test.py
@@ -29,8 +29,9 @@
 ##########################################################################
 
 import unittest, os, sys, shutil
-from ..reaction import Reaction
-from .statmech import StatMech
+from autotst.common import AUTOTST_PATH
+from autotst.reaction import Reaction
+from autotst.calculator.statmech import StatMech
 import rmgpy.reaction
 import rmgpy.kinetics
 
@@ -40,7 +41,7 @@ def setUp(self):
         self.reaction.get_labeled_reaction()
         self.reaction.generate_reactants_and_products()
 
-        directory = os.path.expandvars("$AUTOTST/test")
+        directory = os.path.join(AUTOTST_PATH, "test")
         if not os.path.exists(os.path.join(directory, "ts", self.reaction.label)):
             os.makedirs(os.path.join(directory, "ts", self.reaction.label))
         if not os.path.exists(os.path.join(directory, "ts", self.reaction.label, self.reaction.label + ".log")):
@@ -66,13 +67,13 @@ def setUp(self):
 
     def tearDown(self):
         try:
-            directory = os.path.expandvars("$AUTOTST/test")
+            directory = os.path.join(AUTOTST_PATH, "test")
             if os.path.exists(os.path.join(directory, "ts")):
                 shutil.rmtree(os.path.join(directory, "ts"))
             if os.path.exists(os.path.join(directory, "species")):
                 shutil.rmtree(os.path.join(directory, "species"))
 
-            for head, _, files in os.walk(os.path.expandvars("$AUTOTST")):
+            for head, _, files in os.walk(AUTOTST_PATH):
                 for fi in files:
                     if fi.endswith(".symm"):
                         os.remove(os.path.join(head, fi))
diff --git a/autotst/calculator/vibrational_analysis_test.py b/autotst/calculator/vibrational_analysis_test.py
index 5ff6cad5..a99f0c00 100644
--- a/autotst/calculator/vibrational_analysis_test.py
+++ b/autotst/calculator/vibrational_analysis_test.py
@@ -36,9 +36,10 @@
 import cclib.io
 import rmgpy
 import rmgpy.molecule
-from ..reaction import Reaction, TS
-from ..species import Species, Conformer
-from .vibrational_analysis import percent_change, VibrationalAnalysis
+from autotst.common import AUTOTST_PATH
+from autotst.reaction import Reaction, TS
+from autotst.species import Species, Conformer
+from autotst.calculator.vibrational_analysis import percent_change, VibrationalAnalysis
 
 class VibrationalAnalysisTest(unittest.TestCase):
 
@@ -48,7 +49,7 @@ def setUp(self):
         self.ts = self.reaction.ts["forward"][0]
         self.ts.get_molecules()
 
-        directory = os.path.expandvars("$AUTOTST/test")
+        directory = os.path.join(AUTOTST_PATH,"test")
         if not os.path.exists(os.path.join(directory, "ts", self.reaction.label, "conformers")):
             os.makedirs(os.path.join(directory, "ts", self.reaction.label, "conformers"))
         if not os.path.exists(os.path.join(directory, "ts", self.reaction.label, self.reaction.label + ".log")):
@@ -140,11 +141,11 @@ def test_validate(self):
 if __name__ == "__main__":
     unittest.main(testRunner=unittest.TextTestRunner(verbosity=2))
     try:
-        directory = os.path.expandvars("$AUTOTST/test")
+        directory = os.path.join(AUTOTST_PATH, "test")
         if os.path.exists(os.path.join(directory, "ts")):
             shutil.rmtree(os.path.join(directory, "ts"))
 
-        for head, _, files in os.walk(os.path.expandvars("$AUTOTST")):
+        for head, _, files in os.walk(AUTOTST_PATH):
             for fi in files:
                 if fi.endswith(".symm"):
                     os.remove(os.path.join(head, fi))
diff --git a/autotst/common.py b/autotst/common.py
new file mode 100644
index 00000000..d2edd623
--- /dev/null
+++ b/autotst/common.py
@@ -0,0 +1,22 @@
+"""
+
+This module contains common functions that are used throughout AutoTST
+Therefore, it should not import any other AutoTST modules to avoid circular imports
+
+"""
+
+import os
+
+import rmgpy
+
+
+# Absolute path to the AutoTST directory
+AUTOTST_PATH = os.path.dirname(os.path.abspath(__file__))
+# Absolute path to the AutoTST database directory - One directory above AUTOTST_PATH
+AUTOTST_DATABASE_PATH = os.path.abspath(os.path.join(AUTOTST_PATH, os.pardir))
+# Abolsute path to RMG-Py directory
+RMG_PY_PATH = os.path.abspath(os.path.dirname(os.path.dirname(rmgpy.__file__)))
+# Absolute path to the RMG-database directory
+RMG_DATABASE_PATH = os.path.abspath(os.path.dirname(os.path.dirname(rmgpy.settings['database.directory'])))
+
+VERSION = "1.0.0"
diff --git a/autotst/data/base_test.py b/autotst/data/base_test.py
index 5986031f..76700949 100644
--- a/autotst/data/base_test.py
+++ b/autotst/data/base_test.py
@@ -34,8 +34,9 @@
 import logging
 import numpy as np
 import autotst
-from ..reaction import Reaction
-from .base import QMData, DistanceData, TransitionStates, TransitionStateDepository, TSGroups
+from autotst.common import AUTOTST_PATH, AUTOTST_DATABASE_PATH
+from autotst.reaction import Reaction
+from autotst.data.base import QMData, DistanceData, TransitionStates, TransitionStateDepository, TSGroups
 import rmgpy
 import rmgpy.data.rmg
 
@@ -61,7 +62,7 @@ def test_get_qmdata(self):
         A method that is designed to obtain the QM data for a transitionstate or molecule
         Returns a qmdata object
         """
-        self.qmdata.get_qmdata(os.path.expandvars("$AUTOTST/test/bin/log-files/CC+[O]O_[CH2]C+OO_forward_0.log"))
+        self.qmdata.get_qmdata(os.path.join(AUTOTST_PATH, "test", "bin", "log-files", "CC+[O]O_[CH2]C+OO_forward_0.log"))
 
         self.assertEqual(self.qmdata.ground_state_degeneracy, 2)
         self.assertAlmostEqual(self.qmdata.molecular_mass[0], 126.1, places=1)
@@ -155,7 +156,7 @@ def setUp(self):
 
         self.settings = {
             "file_path": os.path.join(
-                os.path.expandvars("$AUTOTST"), "database", "H_Abstraction", "TS_training", "reactions.py"
+                os.path.join(AUTOTST_DATABASE_PATH, "database", "H_Abstraction", "TS_training", "reactions.py")
             ),
             "local_context": {"DistanceData":DistanceData},
             "global_context": {'__builtins__': None}
@@ -177,7 +178,7 @@ def setUp(self):
 
         self.settings = {
             "file_path": os.path.join(
-                os.path.expandvars("$AUTOTST"), "database", "H_Abstraction", "TS_groups.py"
+                os.path.join(AUTOTST_DATABASE_PATH, "database", "H_Abstraction", "TS_groups.py")
             ),
             "local_context": {"DistanceData":DistanceData},
             "global_context": {'__builtins__': None}
diff --git a/autotst/data/inputoutput_test.py b/autotst/data/inputoutput_test.py
index a32eea21..7457ef0f 100644
--- a/autotst/data/inputoutput_test.py
+++ b/autotst/data/inputoutput_test.py
@@ -35,9 +35,10 @@
 import shutil
 import numpy as np
 import autotst
-from ..reaction import Reaction
-from .base import QMData, DistanceData
-from .inputoutput import InputOutput
+from autotst.common import AUTOTST_PATH
+from autotst.reaction import Reaction
+from autotst.data.base import QMData, DistanceData
+from autotst.data.inputoutput import InputOutput
 import rmgpy.kinetics
 
 class TestInputOutput(unittest.TestCase):
@@ -46,11 +47,11 @@ def setUp(self):
         self.reaction = Reaction("CC+[O]O_[CH2]C+OO")
         self.io = InputOutput(
             reaction=self.reaction, 
-            directory=os.path.expandvars("$AUTOTST/test/")
+            directory=os.path.join(AUTOTST_PATH, "test")
         )
         try:
             os.makedirs(os.path.join(
-                os.path.expandvars("$AUTOTST/test/"),
+                AUTOTST_PATH,
                 "ts",
                 self.reaction.label
             ))
@@ -58,11 +59,12 @@ def setUp(self):
             try:
                 shutil.copy(
                     os.path.join(
-                        os.path.expandvars("$AUTOTST/test/bin/log-files"), 
+                        os.path.join(AUTOTST_PATH,"test","bin","log-files"),
                         self.reaction.label + "_forward_0.log"
                         ),
                     os.path.join(
-                        os.path.expandvars("$AUTOTST/test/"),
+                        AUTOTST_PATH,
+                        "test",
                         "ts",
                         self.reaction.label,
                         self.reaction.label + ".log"
@@ -77,7 +79,8 @@ def test_ts_file_path(self):
         self.assertEqual(
             path,
             os.path.join(
-                os.path.expandvars("$AUTOTST/test/"),
+                AUTOTST_PATH,
+                "test",
                 "ts",
                 self.reaction.label,
                 self.reaction.label + ".ts"
@@ -89,7 +92,8 @@ def test_kinetics_file_path(self):
         self.assertEqual(
             path,
             os.path.join(
-                os.path.expandvars("$AUTOTST/test/"),
+                AUTOTST_PATH,
+                "test",
                 "ts",
                 self.reaction.label,
                 self.reaction.label + ".kinetics"
diff --git a/autotst/data/update.py b/autotst/data/update.py
index c1dbc5f7..a113ce41 100644
--- a/autotst/data/update.py
+++ b/autotst/data/update.py
@@ -34,9 +34,10 @@
 import pandas as pd
 import numpy as np
 from collections import defaultdict, OrderedDict
-from ..species import Species, Conformer
-from ..reaction import Reaction, TS
-from .base import *
+from autotst.common import AUTOTST_PATH
+from autotst.species import Species, Conformer
+from autotst.reaction import Reaction, TS
+from autotst.data.base import *
 import rmgpy
 import rmgpy.molecule
 import rmgpy.data.base
@@ -395,8 +396,7 @@ def update_databases(reactions, method='', short_desc='', reaction_family='', ov
     #    logging.warning(
     #        'Defaulting to reaction family of {}'.format(reaction_family))
 
-    general_path = os.path.join(os.path.expandvars(
-        '$AUTOTST'), 'database', reaction_family, 'TS_training')
+    general_path = os.path.join(AUTOTST_PATH, 'database', reaction_family, 'TS_training')
 
     dict_path = os.path.join(general_path, 'dictionary.txt')
     old_reactions_path = os.path.join(general_path, 'reactions.py')
@@ -469,7 +469,7 @@ def TS_Database_Update(families, path=None, auto_save=False):
     assert isinstance(
         families, list), "Families must be a list. If singular family, still keep it in list"
     acceptable_families = os.listdir(os.path.join(
-        os.path.expandvars("$AUTOTST"), "database"))
+        AUTOTST_PATH, "database"))
     for family in families:
         assert isinstance(
             family, str), "Family names must be provided as strings"
@@ -555,8 +555,7 @@ def __init__(self, family, rmg_database, path=None):
         if path is not None:
             self.path = path
         else:
-            self.path = os.path.join(os.path.expandvars(
-                "$AUTOTST"), "database", family)
+            self.path = os.path.join(AUTOTST_PATH, "database", family)
 
         self.family = family
 
diff --git a/autotst/geometry_test.py b/autotst/geometry_test.py
index 18c7fe87..7b0682b3 100644
--- a/autotst/geometry_test.py
+++ b/autotst/geometry_test.py
@@ -29,7 +29,7 @@
 ##########################################################################
 
 import unittest
-from .geometry import Bond, Angle, Torsion, CisTrans, ChiralCenter
+from autotst.geometry import Bond, Angle, Torsion, CisTrans, ChiralCenter
 
 class TestBond(unittest.TestCase):
     def setUp(self):
diff --git a/autotst/job/job_test.py b/autotst/job/job_test.py
index 3a39ea1d..1c060dc4 100644
--- a/autotst/job/job_test.py
+++ b/autotst/job/job_test.py
@@ -30,6 +30,7 @@
 
 import os, sys, subprocess, shutil
 import unittest
+from autotst.common import AUTOTST_PATH
 from autotst.reaction import Reaction, TS
 from autotst.species import Species, Conformer
 from autotst.data.base import TransitionStates
@@ -42,10 +43,11 @@
 class JobTest(unittest.TestCase):
 
     def setUp(self):
-        os.environ["PATH"] = os.path.expandvars("$AUTOTST/test/bin:") + os.environ["PATH"]
+        os.environ["PATH"] = os.path.join(AUTOTST_PATH, "test/bin") + os.pathsep + os.environ["PATH"]
+    
         os.environ["TEST_STATUS"] = "None"
         self.reaction = Reaction("CC+[O]O_[CH2]C+OO")
-        self.calculator = Gaussian(directory=os.path.expandvars("$AUTOTST/test"))
+        self.calculator = Gaussian(directory=os.path.join(AUTOTST_PATH, "test"))
         self.job = Job(
             reaction=self.reaction,
             calculator=self.calculator,
@@ -77,7 +79,7 @@ def test_setup2(self):
 
     def test_read_log(self):
 
-        path = os.path.expandvars("$AUTOTST/test/bin/log-files/CC_0.log")
+        path = os.path.join(AUTOTST_PATH, "test/bin/log-files/CC_0.log")
 
         atoms = self.job.read_log(path)
 
@@ -133,7 +135,8 @@ def test_calculate_species(self):
             self.job.calculate_species(species)
             for smiles in species.conformers.keys():
                 self.assertTrue(os.path.exists(os.path.join(
-                    os.path.expandvars("$AUTOTST/test/species/"),
+                    AUTOTST_PATH,
+                    "test/species",
                     smiles,
                     smiles + ".log"
                 )))
diff --git a/autotst/reaction.py b/autotst/reaction.py
index 0c8ba995..cf47dc21 100644
--- a/autotst/reaction.py
+++ b/autotst/reaction.py
@@ -49,9 +49,9 @@
 import rmgpy.exceptions 
 
 import autotst
-from .data.base import DistanceData, TransitionStateDepository, TSGroups, TransitionStates
-from .species import Species, Conformer
-from .geometry import Torsion, Angle, Bond, CisTrans, ChiralCenter
+from autotst.data.base import DistanceData, TransitionStateDepository, TSGroups, TransitionStates
+from autotst.species import Species, Conformer
+from autotst.geometry import Torsion, Angle, Bond, CisTrans, ChiralCenter
 
 FORMAT = "%(filename)s:%(lineno)d %(funcName)s %(levelname)s %(message)s"
 logging.basicConfig(format=FORMAT, level=logging.INFO)
diff --git a/autotst/reaction_test.py b/autotst/reaction_test.py
index 51701290..5713c07c 100644
--- a/autotst/reaction_test.py
+++ b/autotst/reaction_test.py
@@ -35,8 +35,8 @@
 import rmgpy.reaction
 import rmgpy.molecule
 import rmgpy.data.rmg
-from .reaction import Reaction, TS
-from .data.base import TransitionStates
+from autotst.reaction import Reaction, TS
+from autotst.data.base import TransitionStates
 
 class TestReaction(unittest.TestCase):
     def setUp(self):
diff --git a/autotst/species.py b/autotst/species.py
index 7c0c4402..bdb73eda 100644
--- a/autotst/species.py
+++ b/autotst/species.py
@@ -28,7 +28,7 @@
 #
 ##########################################################################
 
-from .geometry import CisTrans, Torsion, Angle, Bond, ChiralCenter
+from autotst.geometry import CisTrans, Torsion, Angle, Bond, ChiralCenter
 import numpy as np
 import os, logging
 
diff --git a/autotst/species_test.py b/autotst/species_test.py
index 73e4e9b2..4f1db58a 100644
--- a/autotst/species_test.py
+++ b/autotst/species_test.py
@@ -38,8 +38,8 @@
 import rmgpy.molecule
 
 import autotst
-from .geometry import Bond, Angle, Torsion, CisTrans, ChiralCenter
-from .species import Species, Conformer
+from autotst.geometry import Bond, Angle, Torsion, CisTrans, ChiralCenter
+from autotst.species import Species, Conformer
 
 class TestConformer(unittest.TestCase):
     def setUp(self):
diff --git a/test/bin/g16 b/autotst/test/bin/g16
similarity index 100%
rename from test/bin/g16
rename to autotst/test/bin/g16
diff --git a/test/bin/log-files/CC+[O]O_[CH2]C+OO_forward_0.log b/autotst/test/bin/log-files/CC+[O]O_[CH2]C+OO_forward_0.log
similarity index 100%
rename from test/bin/log-files/CC+[O]O_[CH2]C+OO_forward_0.log
rename to autotst/test/bin/log-files/CC+[O]O_[CH2]C+OO_forward_0.log
diff --git a/test/bin/log-files/CC+[O]O_[CH2]C+OO_forward_center_0.log b/autotst/test/bin/log-files/CC+[O]O_[CH2]C+OO_forward_center_0.log
similarity index 100%
rename from test/bin/log-files/CC+[O]O_[CH2]C+OO_forward_center_0.log
rename to autotst/test/bin/log-files/CC+[O]O_[CH2]C+OO_forward_center_0.log
diff --git a/test/bin/log-files/CC+[O]O_[CH2]C+OO_forward_shell_0.log b/autotst/test/bin/log-files/CC+[O]O_[CH2]C+OO_forward_shell_0.log
similarity index 100%
rename from test/bin/log-files/CC+[O]O_[CH2]C+OO_forward_shell_0.log
rename to autotst/test/bin/log-files/CC+[O]O_[CH2]C+OO_forward_shell_0.log
diff --git a/test/bin/log-files/CC+[O]O_[CH2]C+OO_reverse_0.log b/autotst/test/bin/log-files/CC+[O]O_[CH2]C+OO_reverse_0.log
similarity index 100%
rename from test/bin/log-files/CC+[O]O_[CH2]C+OO_reverse_0.log
rename to autotst/test/bin/log-files/CC+[O]O_[CH2]C+OO_reverse_0.log
diff --git a/test/bin/log-files/CC+[O]O_[CH2]C+OO_reverse_center_0.log b/autotst/test/bin/log-files/CC+[O]O_[CH2]C+OO_reverse_center_0.log
similarity index 100%
rename from test/bin/log-files/CC+[O]O_[CH2]C+OO_reverse_center_0.log
rename to autotst/test/bin/log-files/CC+[O]O_[CH2]C+OO_reverse_center_0.log
diff --git a/test/bin/log-files/CC+[O]O_[CH2]C+OO_reverse_shell_0.log b/autotst/test/bin/log-files/CC+[O]O_[CH2]C+OO_reverse_shell_0.log
similarity index 100%
rename from test/bin/log-files/CC+[O]O_[CH2]C+OO_reverse_shell_0.log
rename to autotst/test/bin/log-files/CC+[O]O_[CH2]C+OO_reverse_shell_0.log
diff --git a/test/bin/log-files/CC_0.log b/autotst/test/bin/log-files/CC_0.log
similarity index 100%
rename from test/bin/log-files/CC_0.log
rename to autotst/test/bin/log-files/CC_0.log
diff --git a/test/bin/log-files/C[CH2]_0.log b/autotst/test/bin/log-files/C[CH2]_0.log
similarity index 100%
rename from test/bin/log-files/C[CH2]_0.log
rename to autotst/test/bin/log-files/C[CH2]_0.log
diff --git a/test/bin/log-files/C_fod.log b/autotst/test/bin/log-files/C_fod.log
similarity index 100%
rename from test/bin/log-files/C_fod.log
rename to autotst/test/bin/log-files/C_fod.log
diff --git a/test/bin/log-files/OO_0.log b/autotst/test/bin/log-files/OO_0.log
similarity index 100%
rename from test/bin/log-files/OO_0.log
rename to autotst/test/bin/log-files/OO_0.log
diff --git a/test/bin/log-files/[CH3]+CC(F)(F)F_C+[CH2]C(F)(F)F.log b/autotst/test/bin/log-files/[CH3]+CC(F)(F)F_C+[CH2]C(F)(F)F.log
similarity index 100%
rename from test/bin/log-files/[CH3]+CC(F)(F)F_C+[CH2]C(F)(F)F.log
rename to autotst/test/bin/log-files/[CH3]+CC(F)(F)F_C+[CH2]C(F)(F)F.log
diff --git a/test/bin/log-files/[O]O_0.log b/autotst/test/bin/log-files/[O]O_0.log
similarity index 100%
rename from test/bin/log-files/[O]O_0.log
rename to autotst/test/bin/log-files/[O]O_0.log
diff --git a/test/bin/sbatch b/autotst/test/bin/sbatch
similarity index 100%
rename from test/bin/sbatch
rename to autotst/test/bin/sbatch
diff --git a/test/bin/squeue b/autotst/test/bin/squeue
similarity index 100%
rename from test/bin/squeue
rename to autotst/test/bin/squeue
diff --git a/environment.yml b/environment.yml
index 0bf87d6d..934b0caa 100644
--- a/environment.yml
+++ b/environment.yml
@@ -1,17 +1,184 @@
 name: tst_env
 channels:
-  - defaults
-  - cantera
-  - pytorch
+  - rmg
   - anaconda
   - conda-forge
+  - defaults
 dependencies:
-  - python
-  - rmg::rmg == 3.0.0
-  - conda-forge::ase
-  - conda-forge::cclib >= 1.7.0
-  - conda-forge::py3dmol
-  - rmg::rdkit >= 2019.03.4
-  - codecov
-  - nose
-  - matplotlib
+  - _libgcc_mutex=0.1
+  - _openmp_mutex=4.5
+  - algopy=0.5.7
+  - ase=3.22.1
+  - biopython=1.79
+  - blas=1.0
+  - bottleneck=1.3.5
+  - brotli=1.0.9
+  - brotli-bin=1.0.9
+  - brotli-python=1.0.9
+  - bzip2=1.0.8
+  - c-ares=1.19.1
+  - ca-certificates=2023.7.22
+  - cached-property=1.5.2
+  - cached_property=1.5.2
+  - cairo=1.16.0
+  - cantera=2.6.0
+  - cclib=1.7.2
+  - certifi=2023.7.22
+  - cffi=1.15.1
+  - charset-normalizer=3.2.0
+  - click=8.1.3
+  - conda=22.9.0
+  - conda-package-handling=2.0.2
+  - conda-package-streaming=0.8.0
+  - coolprop=6.4.1
+  - cryptography=38.0.2
+  - cycler=0.11.0
+  - expat=2.5.0
+  - fftw=3.3.9
+  - flask=2.2.3
+  - fmt=9.1.0
+  - fontconfig=2.14.2
+  - fonttools=4.38.0
+  - freetype=2.12.1
+  - gettext=0.21.1
+  - glib=2.76.4
+  - glib-tools=2.76.4
+  - gmp=6.2.1
+  - gprof2dot=2017.9.19
+  - h5py=3.7.0
+  - hdf5=1.12.2
+  - icu=58.2
+  - idna=3.4
+  - importlib-metadata=4.11.4
+  - intel-openmp=2021.4.0
+  - itsdangerous=2.1.2
+  - jinja2=3.1.2
+  - joblib=1.3.0
+  - jpeg=9e
+  - keyutils=1.6.1
+  - kiwisolver=1.4.4
+  - krb5=1.21.1
+  - lcms2=2.14
+  - ld_impl_linux-64=2.40
+  - lerc=4.0.0
+  - libaec=1.0.6
+  - libblas=3.9.0
+  - libboost=1.67.0
+  - libbrotlicommon=1.0.9
+  - libbrotlidec=1.0.9
+  - libbrotlienc=1.0.9
+  - libcantera=2.6.0
+  - libcblas=3.9.0
+  - libcurl=8.2.1
+  - libdeflate=1.14
+  - libedit=3.1.20191231
+  - libev=4.33
+  - libexpat=2.5.0
+  - libffi=3.4.2
+  - libgcc-ng=13.1.0
+  - libgfortran-ng=13.1.0
+  - libgfortran5=13.1.0
+  - libglib=2.76.4
+  - libgomp=13.1.0
+  - libiconv=1.17
+  - liblapack=3.9.0
+  - libnghttp2=1.52.0
+  - libnsl=2.0.0
+  - libopenblas=0.3.23
+  - libpng=1.6.39
+  - libsqlite=3.42.0
+  - libssh2=1.11.0
+  - libstdcxx-ng=13.1.0
+  - libtiff=4.4.0
+  - libuuid=2.38.1
+  - libwebp-base=1.3.1
+  - libxcb=1.13
+  - libxml2=2.9.9
+  - libzlib=1.2.13
+  - lpsolve=5.5.2.5
+  - lpsolve55=5.5
+  - lz4-c=1.9.4
+  - markupsafe=2.1.1
+  - matplotlib-base=3.5.3
+  - metis=5.1.1
+  - mkl=2021.4.0
+  - mkl-service=2.4.0
+  - mpfr=4.2.0
+  - mpmath=1.2.1
+  - munkres=1.1.4
+  - ncurses=6.4
+  - nose=1.3.7
+  - numdifftools=0.9.41
+  - numexpr=2.8.4
+  - numpy=1.21.6
+  - openbabel=3.0.0
+  - openjpeg=2.5.0
+  - openssl=3.1.1
+  - packaging=23.1
+  - pandas=1.3.5
+  - patsy=0.5.3
+  - pcre2=10.40
+  - periodictable=1.5.2
+  - pillow=9.2.0
+  - pip=23.2.1
+  - pixman=0.38.0
+  - psutil=5.9.3
+  - pthread-stubs=0.4
+  - py-boost=1.67.0
+  - pyaml=23.5.9
+  - pycosat=0.6.4
+  - pycparser=2.21
+  - pydas=1.0.3
+  - pydqed=1.0.3
+  - pyopenssl=23.2.0
+  - pyparsing=3.1.0
+  - pyrdl=1.1.2
+  - pysocks=1.7.1
+  - python=3.7.12
+  - python-dateutil=2.8.2
+  - python_abi=3.7
+  - pytz=2023.3
+  - pyyaml=6.0
+  - quantities=0.12.3
+  - rdkit=2020.03.3.0
+  - readline=8.2
+  - requests=2.31.0
+  - ruamel_yaml=0.15.80
+  - scikit-learn=1.0.2
+  - scipy=1.7.3
+  - setuptools=59.8.0
+  - six=1.16.0
+  - sqlite=3.42.0
+  - statsmodels=0.13.2
+  - suitesparse=5.10.1
+  - sundials=5.7.0
+  - tbb=2021.7.0
+  - threadpoolctl=3.1.0
+  - tk=8.6.12
+  - toolz=0.12.0
+  - typing-extensions=4.7.1
+  - typing_extensions=4.7.1
+  - unicodedata2=14.0.0
+  - urllib3=2.0.4
+  - werkzeug=2.2.3
+  - wheel=0.41.0
+  - xorg-kbproto=1.0.7
+  - xorg-libice=1.1.1
+  - xorg-libsm=1.2.4
+  - xorg-libx11=1.8.4
+  - xorg-libxau=1.0.11
+  - xorg-libxdmcp=1.1.3
+  - xorg-libxext=1.3.4
+  - xorg-libxrender=0.9.10
+  - xorg-renderproto=0.11.1
+  - xorg-xextproto=7.3.0
+  - xorg-xproto=7.0.31
+  - xz=5.2.6
+  - yaml=0.2.5
+  - yaml-cpp=0.7.0
+  - zipp=3.15.0
+  - zlib=1.2.13
+  - zstandard=0.18.0
+  - zstd=1.5.2
+  - pip:
+    - py3dmol==2.0.3