make release depend on build and docker (#129)

* install gimmemotifs from bioconda

* test-release depends on Build and Docker

* run docker build and push and pr

* remove post-release install in gh runner

* lint from upstream

.github/workflows/docker.yml

@@ -3,10 +3,7 @@ name: Docker
 on:
   workflow_dispatch:
   push:
-    paths:
-      - "dockerfiles/**"
-      - "src/**"
-      - "pyproject.toml"
+  pull_request:
 
 env:
   REGISTRY: ghcr.io

.github/workflows/release.yml

@@ -53,12 +53,3 @@ jobs:
         prerelease: false
       env:
         GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
-
-    - name: Check PyPI package installation
-      if: ${{ inputs.release_enabled }}
-      run: |
-        sleep 120 &&
-        version=$(hatch -q version) &&
-        pip install \
-        dnadiffusion==$version &&
-        pip list | grep dnadiffusion

.github/workflows/test-release.yml

@@ -3,7 +3,9 @@ name: Test Release
 on: 
   workflow_dispatch:
   workflow_run:
-    workflows: [Build]
+    workflows: 
+      - Build
+      - Docker
     branches: main
     types: 
       - completed
@@ -66,14 +68,4 @@ jobs:
         tag: ${{ steps.check-version.outputs.tag }}
       env:
         GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
-
-    - name: Check TestPyPI package installation
-      run: |
-        sleep 120 &&
-        version=$(hatch -q version) &&
-        echo $version &&
-        pip install \
-        --index-url https://test.pypi.org/simple/ \
-        --extra-index-url https://pypi.org/simple/ \
-        dnadiffusion==$version &&
-        pip list | grep dnadiffusion
+

dockerfiles/Dockerfile

@@ -6,5 +6,9 @@ COPY . .
 RUN mamba init
 RUN mamba info && \
     mamba install python=3.10 --yes && \
-    mamba install -c conda-forge -c bioconda --yes pybigwig
+    mamba install \
+    -c conda-forge \
+    -c bioconda \
+    --yes \
+    gimmemotifs
 RUN pip install -e .

src/dnadiffusion/configs.py

@@ -4,7 +4,7 @@
 from hydra.core.config_store import ConfigStore
 from hydra_zen import MISSING, builds, make_custom_builds_fn
 from pytorch_lightning.callbacks import ModelCheckpoint
-from pytorch_lightning.loggers.wandb import WandbLogger 
+from pytorch_lightning.loggers.wandb import WandbLogger
 
 from dnadiffusion.callbacks.sampling import Sample
 from dnadiffusion.data.dataloader import LoadingDataModule

src/dnadiffusion/data/dataloader.py

@@ -3,10 +3,10 @@
 import random
 from typing import Any, Dict, List, Optional, Tuple
 
-import pytorch_lightning as pl
 import matplotlib.pyplot as plt
 import numpy as np
 import pandas as pd
+import pytorch_lightning as pl
 import torch
 import torchvision.transforms as T
 from pytorch_lightning.utilities import rank_zero_only