Install packages together

.github/workflows/ci.yml

@@ -41,6 +41,9 @@ jobs:
     - name: Create
       run: aiida-project create testproject
 
+    - name: Create with additional plugins
+      run: 'aiida-project create testproject2 --core-version=2.7 -p aiida-cp2k -p git+https://github.com/aiidateam/aiida-quantumespresso'
+
       # NOTE: The cda bash function does not seem to work in GitHub runners so we execute it manually
     - name: cda
       run: |
@@ -49,6 +52,11 @@ jobs:
           source "$aiida_venv_dir/testproject/bin/activate"
           cd "$aiida_project_dir/testproject" && pwd
           ls -lrt
+          uv pip list
 
     - name: Destroy
-      run: aiida-project destroy --force testproject
+      run: |
+        aiida-project destroy --force testproject
+        export $(grep -v '^#' ~/.aiida_project.env | xargs)
+        if [[ -d "$aiida_project_dir/testproject" ]]; then echo "Project destruction incomplete!"; exit 1; fi
+        if [[ -d "$aiida_venv_dir/testproject" ]]; then echo "Project venv not destroyed!"; exit 1; fi

aiida_project/commands/main.py

@@ -3,6 +3,7 @@
 import sys
 from datetime import datetime
 from pathlib import Path
+from subprocess import CalledProcessError
 from typing import Annotated, Optional
 
 import typer
@@ -83,7 +84,7 @@ def init(shell: Optional[ShellType] = None):
 
 
 @app.command()
-def create(  # noqa: PLR0912
+def create(
     name: str,
     engine: EngineType = EngineType.venv,
     core_version: str = "latest",
@@ -152,22 +153,20 @@ def create(  # noqa: PLR0912
     project_dict.add_project(project)
     print("✅ [bold green]Success:[/bold green] Project created.")
 
+    aiida_spec = "aiida-core"
     if core_version != "latest":
-        typer.echo(f"💾 Installing AiiDA core module v{core_version}.")
-        project.install(f"aiida-core=={core_version}")
-    else:
-        typer.echo("💾 Installing the latest release of the AiiDA core module.")
-        project.install("aiida-core")
-
-    for plugin in plugins:
-        if "github.com" in plugin:
-            clone_path = project.project_path / Path("git") / Path(plugin.split("/")[-1]).stem
-            typer.echo(f"⬇️  Cloning repo `{plugin}` from GitHub to `{clone_path.resolve()}`.")
-            project.clone_repo(plugin, clone_path)
-            typer.echo(f"💾 Installing local repo `{clone_path}` as editable install.")
-        else:
-            typer.echo(f"💾 Installing `{plugin}` from the PyPI.")
-            project.install(plugin)
+        aiida_spec += f"=={core_version}"
+
+    packages = [aiida_spec, *plugins]
+    typer.echo(f"💾 Installing packages `{' '.join(packages)}`")
+    try:
+        project.install(packages)
+    except CalledProcessError as e:
+        print("[bold red]Error:[/bold red] Package installation failed!")
+        typer.echo(e)
+        typer.echo(e.stdout.decode())
+        typer.echo(e.stderr.decode())
+        sys.exit(1)
 
 
 @app.command()

aiida_project/config.py

@@ -12,7 +12,6 @@
         "computer",
         "code",
     ],
-    "git": [],
 }
 
 

aiida_project/project/base.py

@@ -1,7 +1,6 @@
 from __future__ import annotations
 
 import shutil
-import subprocess
 from abc import ABC, abstractmethod
 from pathlib import Path
 
@@ -32,7 +31,7 @@ def engine(self):
         return self._engine
 
     @abstractmethod
-    def create(self, python_path: Path):
+    def create(self, python_path: Path) -> None:
         """Create the project."""
         Path(self.project_path, ".aiida").mkdir(parents=True, exist_ok=True)
         recursive_mkdir(self.project_path, self.dir_structure)
@@ -51,14 +50,5 @@ def append_deactivate_text(self, text: str) -> None:
         """Append a text to the deactivate script."""
 
     @abstractmethod
-    def install(self, package):
-        """Install a package from PyPI."""
-
-    @abstractmethod
-    def install_local(self, path):
-        """Install a package from a local directory."""
-
-    def clone_repo(self, repo, path):
-        """Clone a ``git`` repository from a remote source."""
-        clone_command = ["git", "clone", "--single-branch", f"{repo}", f"{path.resolve()}"]
-        subprocess.run(clone_command, capture_output=True)
+    def install(self, packages: list[str]) -> None:
+        """Install a list of packages from the PyPI or a GitHub repository."""

aiida_project/project/venv.py

@@ -59,12 +59,6 @@ def append_deactivate_text(self, text):
                 )
             )
 
-    def install(self, package):
-        install_command = [Path(self.venv_path, "bin", "pip").as_posix(), "install", package]
-        subprocess.run(install_command, capture_output=True)
-
-    def install_local(self, path):
-        install_command = []
-        install_command.append(Path(self.venv_path, "bin", "pip")).as_posix()
-        install_command.extend(["install", "-e", path.as_posix()])
-        subprocess.run(install_command, cwd=self.project_path)
+    def install(self, packages: list[str]) -> None:
+        install_command = [Path(self.venv_path, "bin", "pip").as_posix(), "install", *packages]
+        subprocess.run(install_command, capture_output=True, check=True)