Remove create_conda_env (#366)

Move `create_conda_env`  to aiida-pythonjob

aiida_workgraph/utils/__init__.py

@@ -497,145 +497,6 @@ def serialize_properties(wgdata):
                 prop["value"] = PickledLocalFunction(prop["value"]).store()
 
 
-def generate_bash_to_create_python_env(
-    name: str,
-    pip: list = None,
-    conda: dict = None,
-    modules: list = None,
-    python_version: str = None,
-    variables: dict = None,
-    shell: str = "posix",
-):
-    """
-    Generates a bash script for creating or updating a Python environment on a remote computer.
-    If python_version is None, it uses the Python version from the local environment.
-    Conda is a dictionary that can include 'channels' and 'dependencies'.
-    """
-    import sys
-
-    pip = pip or []
-    conda_channels = conda.get("channels", []) if conda else []
-    conda_dependencies = conda.get("dependencies", []) if conda else []
-    # Determine the Python version from the local environment if not provided
-    local_python_version = f"{sys.version_info.major}.{sys.version_info.minor}"
-    desired_python_version = (
-        python_version if python_version is not None else local_python_version
-    )
-
-    # Start of the script
-    script = "#!/bin/bash\n\n"
-
-    # Load modules if provided
-    if modules:
-        script += "# Load specified system modules\n"
-        for module in modules:
-            script += f"module load {module}\n"
-
-    # Conda shell hook initialization for proper conda activation
-    script += "# Initialize Conda for this shell\n"
-    script += f'eval "$(conda shell.{shell} hook)"\n'
-
-    script += "# Setup the Python environment\n"
-    script += "if ! conda info --envs | grep -q ^{name}$; then\n"
-    script += "    # Environment does not exist, create it\n"
-    if conda_dependencies:
-        dependencies_string = " ".join(conda_dependencies)
-        script += f"    conda create -y -n {name} python={desired_python_version} {dependencies_string}\n"
-    else:
-        script += f"    conda create -y -n {name} python={desired_python_version}\n"
-    script += "fi\n"
-    if conda_channels:
-        script += "EXISTING_CHANNELS=$(conda config --show channels)\n"
-        script += "for CHANNEL in " + " ".join(conda_channels) + ";\n"
-        script += "do\n"
-        script += '    if ! echo "$EXISTING_CHANNELS" | grep -q $CHANNEL; then\n'
-        script += "        conda config --prepend channels $CHANNEL\n"
-        script += "    fi\n"
-        script += "done\n"
-    script += f"conda activate {name}\n"
-
-    # Install pip packages
-    if pip:
-        script += f"pip install {' '.join(pip)}\n"
-
-    # Set environment variables
-    if variables:
-        for var, value in variables.items():
-            script += f"export {var}='{value}'\n"
-
-    # End of the script
-    script += "echo 'Environment setup is complete.'\n"
-
-    return script
-
-
-def create_conda_env(
-    computer: Union[str, orm.Computer],
-    name: str,
-    pip: list = None,
-    conda: list = None,
-    modules: list = None,
-    python_version: str = None,
-    variables: dict = None,
-    shell: str = "posix",
-) -> tuple:
-    """Test that there is no unexpected output from the connection."""
-    # Execute a command that should not return any error, except ``NotImplementedError``
-    # since not all transport plugins implement remote command execution.
-    from aiida.common.exceptions import NotExistent
-    from aiida import orm
-
-    user = orm.User.collection.get_default()
-    if isinstance(computer, str):
-        computer = orm.load_computer(computer)
-    try:
-        authinfo = computer.get_authinfo(user)
-    except NotExistent:
-        raise f"Computer<{computer.label}> is not yet configured for user<{user.email}>"
-
-    scheduler = authinfo.computer.get_scheduler()
-    transport = authinfo.get_transport()
-
-    script = generate_bash_to_create_python_env(
-        name, pip, conda, modules, python_version, variables, shell
-    )
-    with transport:
-        scheduler.set_transport(transport)
-        try:
-            retval, stdout, stderr = transport.exec_command_wait(script)
-        except NotImplementedError:
-            return (
-                True,
-                f"Skipped, remote command execution is not implemented for the "
-                f"`{computer.transport_type}` transport plugin",
-            )
-
-        if retval != 0:
-            return (
-                False,
-                f"The command `echo -n` returned a non-zero return code ({retval})",
-            )
-
-        template = """
-We detected an error while creating the environemnt on the remote computer, as shown between the bars
-=============================================================================================
-{}
-=============================================================================================
-Please check!
-    """
-        if stderr:
-            return False, template.format(stderr)
-
-        if stdout:
-            # the last line is the echo 'Environment setup is complete.'
-            if not stdout.strip().endswith("Environment setup is complete."):
-                return False, template.format(stdout)
-            else:
-                return True, "Environment setup is complete."
-
-    return True, None
-
-
 def create_and_pause_process(
     runner: Runner = None,
     process_class: Callable = None,

docs/source/built-in/pythonjob.ipynb

@@ -142,7 +142,7 @@
         "One can use the `create_conda_env` function to create a conda environment on the remote computer. The function will create a conda environment with the specified packages and modules. The function will update the packages if the environment already exists.\n",
         "\n",
         "```python\n",
-        "from aiida_workgraph.utils import create_conda_env\n",
+        "from aiida_pythonjob.utils import create_conda_env\n",
         "# create a conda environment on remote computer\n",
         "create_conda_env(\"merlin6\", \"test_pythonjob\", modules=[\"anaconda\"],\n",
         "                 pip=[\"numpy\", \"matplotlib\"],\n",