Switch to conda for cassandra install

azure-pipelines.yml

@@ -151,55 +151,12 @@ jobs:
     - bash: echo "##vso[task.prependpath]$CONDA/bin"
       displayName: Add Conda to path
 
-    - bash : echo "##vso[task.prependpath]$(Build.SourcesDirectory)/Cassandra-1.2.2/bin"
-      displayName: Add Cassandra to path
-
     # On Hosted macOS, the agent user doesn't have ownership of Miniconda's installation directory/
     # We need to take ownership if we want to update conda or install packages globally
     - bash: sudo chown -R $USER $CONDA
       displayName: Take ownership of conda installation
       condition: eq( variables['Agent.OS'], 'Darwin' )
 
-    - bash: |
-        sudo apt-get update
-        sudo apt-get install gfortran
-        gfortran --version
-      displayName: Install gfortran Linux
-      condition: eq( variables['Agent.OS'], 'Linux' )
-
-    - bash: |
-        brew install gcc
-        brew upgrade gcc
-        gfortran --version
-      displayName: Install gfortran macOS
-      condition: eq( variables['Agent.OS'], 'Darwin' )
-
-    - bash: |
-        wget https://github.com/MaginnGroup/Cassandra/archive/v1.2.2.tar.gz
-        tar -xzvf v1.2.2.tar.gz
-        cd Cassandra-1.2.2/Src
-        make -f Makefile.gfortran
-        mkdir ../bin
-        cp cassandra_gfortran.exe ../bin/.
-        cp ../Scripts/Frag_Library_Setup/library_setup.py ../bin/.
-        cd ../../
-      displayName: Build Cassandra
-
-    - bash: |
-        echo Working directory:
-        pwd
-        echo ls:
-        ls
-        echo PATH:
-        echo "$PATH"
-        echo CASSANDRA:
-        which cassandra_gfortran.exe
-        echo PYTHON2
-        which python2
-        echo LIBRARY_SETUP:
-        which library_setup.py
-      displayName: Check cassandra install
-
     - bash: |
         conda config --set always_yes yes --set changeps1 no
         conda config --add channels omnia
@@ -215,6 +172,8 @@ jobs:
         source activate test-environment
         echo "PYTHON VERSION:"
         python --version
+        echo "CASSANDRA EXEC:"
+        which cassandra.exe
         python -m pip install --user .
       displayName: clone,install foyer,mbuild; install mosdef_cassandra
 

requirements-dev.txt

@@ -7,3 +7,4 @@ black
 sphinx
 sphinx_rtd_theme
 pytest
+cassandra >= 1.2.2

requirements-test.txt

@@ -4,3 +4,4 @@ foyer >= 0.7.3
 mbuild >= 0.10.5
 openbabel
 pytest
+cassandra >= 1.2.2

requirements.txt

@@ -2,3 +2,4 @@ numpy
 parmed
 foyer >= 0.7.3
 mbuild >= 0.10.5
+cassandra >= 1.2.2