Fix tests (#14)

* Separates tests for different envs

* Adds explicit dependencies for the black boxes

* updates requirements to match poli-baselines

* Moves a dependency to git in all envs

* Fixes name of dependency

* Adds a missing init file

* Removes strong dependency on ehrlich

* Moves some assets to inside the package

* Updates the loading of the metadata in VAESelfies

* Adds the network weights as assets

* Updates the loading up of the models to use the assets

* Fixes a misspecified path, cleans old models

* adds timeout and modifies run conditions on actions

Author: miguelgondu

.github/workflows/tox-lint-and-pytest.yml renamed to .github/workflows/hdbo-ax.yml

@@ -1,10 +1,21 @@
-name: Tests on hdbo (conda, python 3.10)
+name: Tests on hdbo ax (python 3.10)
 
-on: [push]
+on:
+  push:
+    branches:
+      - master
+  pull_request:
+    types: [opened, synchronize, reopened, ready_for_review, closed]
+    branches:
+      - master
+  schedule:
+    - cron: '0 0 * * 0'
 
 jobs:
   build-linux:
     runs-on: ubuntu-latest
+    timeout-minutes: 15
+    if: github.event.pull_request.draft == false
     strategy:
       max-parallel: 5
 
@@ -21,6 +32,6 @@ jobs:
     - name: Install dependencies
       run: |
         python -m pip install tox
-    - name: Check linting and tests with tox
+    - name: Check tests in ax env using tox
       run: |
-        tox
+        tox -e hdbo-ax-py310

.github/workflows/hdbo-base.yml

@@ -0,0 +1,40 @@
+name: Tests on hdbo base (conda, python 3.10)
+
+on:
+  push:
+      branches:
+      - master
+  pull_request:
+      types: [opened, synchronize, reopened, ready_for_review, closed]
+      branches:
+      - master
+  schedule:
+      - cron: '0 0 * * 0'
+
+jobs:
+  build-linux:
+    runs-on: ubuntu-latest
+    timeout-minutes: 8
+    if: github.event.pull_request.draft == false
+    strategy:
+      max-parallel: 5
+
+    steps:
+    - uses: actions/checkout@v3
+    - name: Set up Python 3.10
+      uses: actions/setup-python@v3
+      with:
+        python-version: '3.10'
+    - name: Add conda to system path
+      run: |
+        # $CONDA is an environment variable pointing to the root of the miniconda directory
+        echo $CONDA/bin >> $GITHUB_PATH
+    - name: Install dependencies
+      run: |
+        python -m pip install tox
+    - name: Check linting
+      run: |
+        tox -e formatting-py310
+    - name: Check tests with tox on base env
+      run: |
+        tox -e hdbo-base-py310

.github/workflows/hdbo-baxus.yml

@@ -0,0 +1,37 @@
+name: Tests on hdbo baxus (python 3.10)
+
+on:
+  push:
+      branches:
+      - master
+  pull_request:
+      types: [opened, synchronize, reopened, ready_for_review, closed]
+      branches:
+      - master
+  schedule:
+      - cron: '0 0 * * 0'
+
+jobs:
+  build-linux:
+    runs-on: ubuntu-latest
+    timeout-minutes: 8
+    if: github.event.pull_request.draft == false
+    strategy:
+      max-parallel: 5
+
+    steps:
+    - uses: actions/checkout@v3
+    - name: Set up Python 3.10
+      uses: actions/setup-python@v3
+      with:
+        python-version: '3.10'
+    - name: Add conda to system path
+      run: |
+        # $CONDA is an environment variable pointing to the root of the miniconda directory
+        echo $CONDA/bin >> $GITHUB_PATH
+    - name: Install dependencies
+      run: |
+        python -m pip install tox
+    - name: Check tests with tox on baxus env
+      run: |
+        tox -e hdbo-baxus-py310