Changes related to the MOlPCQM

.authors.yml

@@ -1,26 +1,26 @@
-- name: Dom
-  email: [email protected]
-  num_commits: 103
-  first_commit: 2021-01-20 01:31:50
-  github: invivoai
-- name: DomInvivo
-  email: [email protected]
-  num_commits: 2
-  first_commit: 2021-01-19 15:30:48
-  github: invivoai
-- name: Hadrien Mary
-  email: [email protected]
-  alternate_emails:
-  - [email protected]
-  num_commits: 46
-  first_commit: 2021-01-20 10:31:10
-  github: invivoai
-- name: Ubuntu
-  email: [email protected]
-  num_commits: 8
-  first_commit: 2021-03-23 12:26:32
-- name: Therence1
-  email: [email protected]
-  num_commits: 1
-  first_commit: 2021-03-21 11:41:43
-  github: Therence1
+- name: Dom
+  email: [email protected]
+  num_commits: 103
+  first_commit: 2021-01-20 01:31:50
+  github: invivoai
+- name: DomInvivo
+  email: [email protected]
+  num_commits: 2
+  first_commit: 2021-01-19 15:30:48
+  github: invivoai
+- name: Hadrien Mary
+  email: [email protected]
+  alternate_emails:
+  - [email protected]
+  num_commits: 46
+  first_commit: 2021-01-20 10:31:10
+  github: invivoai
+- name: Ubuntu
+  email: [email protected]
+  num_commits: 8
+  first_commit: 2021-03-23 12:26:32
+- name: Therence1
+  email: [email protected]
+  num_commits: 1
+  first_commit: 2021-03-21 11:41:43
+  github: Therence1

.github/PULL_REQUEST_TEMPLATE.md

@@ -1,5 +1,5 @@
-Checklist:
-
-- [ ] Added a `news` entry: _copy `news/TEMPLATE.rst` to `news/my-feature-or-branch.rst`) and edit it._
-
----
+Checklist:
+
+- [ ] Added a `news` entry: _copy `news/TEMPLATE.rst` to `news/my-feature-or-branch.rst`) and edit it._
+
+---

.github/workflows/lint.yml

@@ -1,31 +1,31 @@
-name: Lint
-
-on:
-  push:
-    branches:
-      - "master"
-  pull_request:
-    branches:
-      - "*"
-
-jobs:
-  lint-source-code:
-    name: Lint
-    runs-on: "ubuntu-latest"
-
-    steps:
-      - name: Checkout the code
-        uses: actions/checkout@v2
-
-      - name: Set up Python 3.8
-        uses: actions/setup-python@v2
-        with:
-          python-version: 3.8
-
-      - name: Install black
-        run: |
-          pip install black==20.8b1
-
-      - name: Lint
-        run: |
-          black --check .
+name: Lint
+
+on:
+  push:
+    branches:
+      - "master"
+  pull_request:
+    branches:
+      - "*"
+
+jobs:
+  lint-source-code:
+    name: Lint
+    runs-on: "ubuntu-latest"
+
+    steps:
+      - name: Checkout the code
+        uses: actions/checkout@v2
+
+      - name: Set up Python 3.8
+        uses: actions/setup-python@v2
+        with:
+          python-version: 3.8
+
+      - name: Install black
+        run: |
+          pip install black==20.8b1
+
+      - name: Lint
+        run: |
+          black --check .

.github/workflows/test.yml

@@ -1,53 +1,53 @@
-name: test
-
-on:
-  push:
-    branches:
-      - "master"
-  pull_request:
-    branches:
-      - "*"
-      - "!privpage"
-
-jobs:
-  test:
-    runs-on: "ubuntu-latest"
-    defaults:
-      run:
-        shell: bash -l {0}
-    steps:
-      - name: Checkout the code
-        uses: actions/checkout@v2
-
-      - name: Setup conda
-        uses: conda-incubator/setup-miniconda@v2
-        with:
-          miniforge-variant: Mambaforge
-          use-mamba: true
-          activate-environment: goli
-
-      - name: Install Dependencies
-        run: mamba env update -f env.yml
-
-      - name: Install library
-        run: python -m pip install .
-
-      - name: Run tests
-        run: pytest
-
-      - name: Test CLI
-        run: goli --help
-
-      - name: Test building the doc
-        run: |
-          # Build and serve the doc
-          mkdocs build
-
-      - name: Deploy the doc
-        if: ${{ github.ref == 'refs/heads/master' }}
-        run: |
-          # Get the privpage branch
-          git fetch origin privpage
-
-          # Build and serve the doc
-          mkdocs gh-deploy
+name: test
+
+on:
+  push:
+    branches:
+      - "master"
+  pull_request:
+    branches:
+      - "*"
+      - "!privpage"
+
+jobs:
+  test:
+    runs-on: "ubuntu-latest"
+    defaults:
+      run:
+        shell: bash -l {0}
+    steps:
+      - name: Checkout the code
+        uses: actions/checkout@v2
+
+      - name: Setup conda
+        uses: conda-incubator/setup-miniconda@v2
+        with:
+          miniforge-variant: Mambaforge
+          use-mamba: true
+          activate-environment: goli
+
+      - name: Install Dependencies
+        run: mamba env update -f env.yml
+
+      - name: Install library
+        run: python -m pip install .
+
+      - name: Run tests
+        run: pytest
+
+      - name: Test CLI
+        run: goli --help
+
+      - name: Test building the doc
+        run: |
+          # Build and serve the doc
+          mkdocs build
+
+      - name: Deploy the doc
+        if: ${{ github.ref == 'refs/heads/master' }}
+        run: |
+          # Get the privpage branch
+          git fetch origin privpage
+
+          # Build and serve the doc
+          mkdocs gh-deploy