boost remote env bootstrap by 70%

metaflow/plugins/pypi/bootstrap.py

@@ -1,11 +1,15 @@
 import bz2
+import concurrent.futures
 import io
 import json
 import os
 import shutil
 import subprocess
 import sys
 import tarfile
+import time
+
+import requests
 
 from metaflow.metaflow_config import DATASTORE_LOCAL_DIR
 from metaflow.plugins import DATASTORES
@@ -15,6 +19,18 @@
 
 # Bootstraps a valid conda virtual environment composed of conda and pypi packages
 
+
+def timer(func):
+    def wrapper(*args, **kwargs):
+        start_time = time.time()
+        result = func(*args, **kwargs)
+        duration = time.time() - start_time
+        # print(f"Time taken for {func.__name__}: {duration:.2f} seconds")
+        return result
+
+    return wrapper
+
+
 if __name__ == "__main__":
     if len(sys.argv) != 5:
         print("Usage: bootstrap.py <flow_name> <id> <datastore_type> <architecture>")
@@ -47,6 +63,8 @@
 
     prefix = os.path.join(os.getcwd(), architecture, id_)
     pkgs_dir = os.path.join(os.getcwd(), ".pkgs")
+    conda_pkgs_dir = os.path.join(pkgs_dir, "conda")
+    pypi_pkgs_dir = os.path.join(pkgs_dir, "pypi")
     manifest_dir = os.path.join(os.getcwd(), DATASTORE_LOCAL_DIR, flow_name)
 
     datastores = [d for d in DATASTORES if d.TYPE == datastore_type]
@@ -64,77 +82,194 @@
         os.path.join(os.getcwd(), MAGIC_FILE),
         os.path.join(manifest_dir, MAGIC_FILE),
     )
-
     with open(os.path.join(manifest_dir, MAGIC_FILE)) as f:
         env = json.load(f)[id_][architecture]
 
-    # Download Conda packages.
-    conda_pkgs_dir = os.path.join(pkgs_dir, "conda")
-    with storage.load_bytes([package["path"] for package in env["conda"]]) as results:
-        for key, tmpfile, _ in results:
+    def run_cmd(cmd):
+        result = subprocess.run(
+            cmd, shell=True, stdout=subprocess.PIPE, stderr=subprocess.PIPE, text=True
+        )
+        if result.returncode != 0:
+            print(f"Bootstrap failed while executing: {cmd}")
+            print("Stdout:", result.stdout)
+            print("Stderr:", result.stderr)
+            sys.exit(1)
+
+    @timer
+    def install_micromamba(architecture):
+        micromamba_dir = os.path.join(os.getcwd(), "micromamba")
+        micromamba_path = os.path.join(micromamba_dir, "bin", "micromamba")
+
+        if which("micromamba"):
+            return which("micromamba")
+        if os.path.exists(micromamba_path):
+            os.environ["PATH"] += os.pathsep + os.path.dirname(micromamba_path)
+            return micromamba_path
+
+        # Download and extract in one go
+        # TODO: Serve from cloudflare
+        url = f"https://micro.mamba.pm/api/micromamba/{architecture}/2.0.4"
+
+        # Prepare directory once
+        os.makedirs(os.path.dirname(micromamba_path), exist_ok=True)
+
+        # Stream and process directly to file
+        with requests.get(url, stream=True, timeout=30) as response:
+            if response.status_code != 200:
+                raise Exception(
+                    f"Failed to download micromamba: HTTP {response.status_code}"
+                )
+
+            decompressor = bz2.BZ2Decompressor()
+
+            # Process in memory without temporary files
+            tar_content = decompressor.decompress(response.raw.read())
+
+            with tarfile.open(fileobj=io.BytesIO(tar_content), mode="r:") as tar:
+                member = tar.getmember("bin/micromamba")
+                # Extract directly to final location
+                with open(micromamba_path, "wb") as f:
+                    f.write(tar.extractfile(member).read())
+
+        # Set executable permission
+        os.chmod(micromamba_path, 0o755)
+
+        # Update PATH only once at the end
+        os.environ["PATH"] += os.pathsep + os.path.dirname(micromamba_path)
+        return micromamba_path
+
+    @timer
+    def download_conda_packages(storage, packages, dest_dir):
+
+        def process_conda_package(args):
             # Ensure that conda packages go into architecture specific folders.
             # The path looks like REPO/CHANNEL/CONDA_SUBDIR/PACKAGE. We trick
             # Micromamba into believing that all packages are coming from a local
             # channel - the only hurdle is ensuring that packages are organised
             # properly.
-
-            # TODO: consider RAM disk
-            dest = os.path.join(conda_pkgs_dir, "/".join(key.split("/")[-2:]))
+            key, tmpfile, dest_dir = args
+            dest = os.path.join(dest_dir, "/".join(key.split("/")[-2:]))
             os.makedirs(os.path.dirname(dest), exist_ok=True)
             shutil.move(tmpfile, dest)
 
-    # Create Conda environment.
-    cmds = [
-        # TODO: check if mamba or conda are already available on the image
-        # TODO: micromamba installation can be pawned off to micromamba.py
-        f"""set -e;
-        if ! command -v micromamba >/dev/null 2>&1; then
-            mkdir -p micromamba;
-            python -c "import requests, bz2, sys; data = requests.get('https://micro.mamba.pm/api/micromamba/{architecture}/1.5.7').content; sys.stdout.buffer.write(bz2.decompress(data))" | tar -xv -C $(pwd)/micromamba bin/micromamba --strip-components 1;
+        os.makedirs(dest_dir, exist_ok=True)
+        with storage.load_bytes([package["path"] for package in packages]) as results:
+            with concurrent.futures.ThreadPoolExecutor() as executor:
+                executor.map(
+                    process_conda_package,
+                    [(key, tmpfile, dest_dir) for key, tmpfile, _ in results],
+                )
+            # for key, tmpfile, _ in results:
+
+            #     # TODO: consider RAM disk
+            #     dest = os.path.join(dest_dir, "/".join(key.split("/")[-2:]))
+            #     os.makedirs(os.path.dirname(dest), exist_ok=True)
+            #     shutil.move(tmpfile, dest)
+        return dest_dir
+
+    @timer
+    def download_pypi_packages(storage, packages, dest_dir):
+
+        def process_pypi_package(args):
+            key, tmpfile, dest_dir = args
+            dest = os.path.join(dest_dir, os.path.basename(key))
+            shutil.move(tmpfile, dest)
+
+        os.makedirs(dest_dir, exist_ok=True)
+        with storage.load_bytes([package["path"] for package in packages]) as results:
+            with concurrent.futures.ThreadPoolExecutor() as executor:
+                executor.map(
+                    process_pypi_package,
+                    [(key, tmpfile, dest_dir) for key, tmpfile, _ in results],
+                )
+            # for key, tmpfile, _ in results:
+            #     dest = os.path.join(dest_dir, os.path.basename(key))
+            #     shutil.move(tmpfile, dest)
+        return dest_dir
+
+    @timer
+    def create_conda_environment(prefix, conda_pkgs_dir):
+        cmd = f'''set -e;
+            tmpfile=$(mktemp);
+            echo "@EXPLICIT" > "$tmpfile";
+            ls -d {conda_pkgs_dir}/*/* >> "$tmpfile";
             export PATH=$PATH:$(pwd)/micromamba;
-            if ! command -v micromamba >/dev/null 2>&1; then
-                echo "Failed to install Micromamba!";
-                exit 1;
-            fi;
-        fi""",
-        # Create a conda environment through Micromamba.
-        f'''set -e;
-        tmpfile=$(mktemp);
-        echo "@EXPLICIT" > "$tmpfile";
-        ls -d {conda_pkgs_dir}/*/* >> "$tmpfile";
-        export PATH=$PATH:$(pwd)/micromamba;
-        export CONDA_PKGS_DIRS=$(pwd)/micromamba/pkgs;
-        micromamba create --yes --offline --no-deps --safety-checks=disabled --no-extra-safety-checks --prefix {prefix} --file "$tmpfile";
-        rm "$tmpfile"''',
-    ]
-
-    # Download PyPI packages.
-    if "pypi" in env:
-        pypi_pkgs_dir = os.path.join(pkgs_dir, "pypi")
-        with storage.load_bytes(
-            [package["path"] for package in env["pypi"]]
-        ) as results:
-            for key, tmpfile, _ in results:
-                dest = os.path.join(pypi_pkgs_dir, os.path.basename(key))
-                os.makedirs(os.path.dirname(dest), exist_ok=True)
-                shutil.move(tmpfile, dest)
-
-        # Install PyPI packages.
-        cmds.extend(
-            [
-                f"""set -e;
-                export PATH=$PATH:$(pwd)/micromamba;
-                export CONDA_PKGS_DIRS=$(pwd)/micromamba/pkgs;
-                micromamba run --prefix {prefix} python -m pip --disable-pip-version-check install --root-user-action=ignore --no-compile {pypi_pkgs_dir}/*.whl --no-user"""
-            ]
-        )
+            export CONDA_PKGS_DIRS=$(pwd)/micromamba/pkgs;
+            export MAMBA_NO_LOW_SPEED_LIMIT=1;
+            export MAMBA_USE_INDEX_CACHE=1;
+            export MAMBA_NO_PROGRESS_BARS=1;
+            export CONDA_FETCH_THREADS=1;
+            micromamba create --yes --offline --no-deps \
+                --safety-checks=disabled --no-extra-safety-checks \
+                --prefix {prefix} --file "$tmpfile" \
+                --no-pyc --no-rc --always-copy;
+            rm "$tmpfile"'''
+        run_cmd(cmd)
 
-    for cmd in cmds:
-        result = subprocess.run(
-            cmd, shell=True, stdout=subprocess.PIPE, stderr=subprocess.PIPE
-        )
-        if result.returncode != 0:
-            print(f"Bootstrap failed while executing: {cmd}")
-            print("Stdout:", result.stdout.decode())
-            print("Stderr:", result.stderr.decode())
-            sys.exit(1)
+    @timer
+    def install_pypi_packages(prefix, pypi_pkgs_dir):
+
+        cmd = f"""set -e;
+            export PATH=$PATH:$(pwd)/micromamba;
+            export CONDA_PKGS_DIRS=$(pwd)/micromamba/pkgs;
+            micromamba run --prefix {prefix} python -m pip --disable-pip-version-check \
+                install --root-user-action=ignore --no-compile --no-index \
+                --no-cache-dir --no-deps --prefer-binary \
+                --find-links={pypi_pkgs_dir}  --no-user \
+                --no-warn-script-location --no-input \
+                {pypi_pkgs_dir}/*.whl
+            """
+        run_cmd(cmd)
+
+    @timer
+    def setup_environment(
+        architecture, storage, env, prefix, conda_pkgs_dir, pypi_pkgs_dir
+    ):
+        with concurrent.futures.ThreadPoolExecutor(max_workers=10) as executor:
+            # install micromamba, download conda and pypi packages in parallel
+            futures = {
+                "micromamba": executor.submit(install_micromamba, architecture),
+                "conda_pkgs": executor.submit(
+                    download_conda_packages, storage, env["conda"], conda_pkgs_dir
+                ),
+            }
+            if "pypi" in env:
+                futures["pypi_pkgs"] = executor.submit(
+                    download_pypi_packages, storage, env["pypi"], pypi_pkgs_dir
+                )
+
+            # create conda environment after micromamba is installed and conda packages are downloaded
+            done, _ = concurrent.futures.wait(
+                [futures["micromamba"], futures["conda_pkgs"]],
+                return_when=concurrent.futures.ALL_COMPLETED,
+            )
+
+            for future in done:
+                future.result()
+
+            # start conda environment creation
+            futures["conda_env"] = executor.submit(
+                create_conda_environment, prefix, conda_pkgs_dir
+            )
+
+            if "pypi" in env:
+                # install pypi packages after conda environment is created and pypi packages are downloaded
+                done, _ = concurrent.futures.wait(
+                    [futures["conda_env"], futures["pypi_pkgs"]],
+                    return_when=concurrent.futures.ALL_COMPLETED,
+                )
+
+                for future in done:
+                    future.result()
+
+                # install pypi packages
+                futures["pypi_install"] = executor.submit(
+                    install_pypi_packages, prefix, pypi_pkgs_dir
+                )
+                # wait for pypi packages to be installed
+                futures["pypi_install"].result()
+            else:
+                # wait for conda environment to be created
+                futures["conda_env"].result()
+
+    setup_environment(architecture, storage, env, prefix, conda_pkgs_dir, pypi_pkgs_dir)