[py-smartsim] New Package (#39306)

* Create a smartsim package

* rm ss 0.4.2

* no py upper bound, add build dep

* add setup_build_env

* add comment to find ml deps lower bounds

* Apply suggestions from code review

Correct dep versions, use `python_purelib`

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>

* remove the cuda/rocm vars

* point editors to bin deps version constraints

* Apply suggestions from code review

Loosen `py-smartredis` constraint, enforce `setup.cfg` py version

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>

* style

* rm rai lower bound

* lower bound setuptools

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>

3 files changed, 132 insertions, 0 deletions

diff --git a/var/spack/repos/builtin/packages/py-smartsim/package.py b/var/spack/repos/builtin/packages/py-smartsim/package.py
new file mode 100644
index 0000000000..4011e0c8dc
--- /dev/null
+++ b/var/spack/repos/builtin/packages/py-smartsim/package.py
@@ -0,0 +1,83 @@
+# Copyright 2013-2023 Lawrence Livermore National Security, LLC and other
+# Spack Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+
+import os
+
+from spack.package import *
+
+
+class PySmartsim(PythonPackage):
+    """A workflow library to easily integrate machine learning libraries with
+    high performance computing simulations and applications
+    """
+
+    homepage = "https://www.craylabs.org/docs/overview.html"
+    git = "https://github.com/CrayLabs/SmartSim"
+    pypi = "smartsim/smartsim-0.5.0.tar.gz"
+
+    maintainers("MattToast")
+
+    version("0.5.0", sha256="35b36243dc84af62261a7f772bae92f0b3502faf01401423899cb2a48339858c")
+
+    variant("torch", default=True, description="Build with the pytorch backend")
+
+    depends_on("python@3.8:3.10", type=("build", "run"))
+    depends_on("py-setuptools@39.2:", type=("build",))
+    depends_on("py-cmake@3.13:", type=("build",))
+
+    depends_on("py-psutil@5.7.2:", type=("build", "run"))
+    depends_on("py-coloredlogs@10:", type=("build", "run"))
+    depends_on("py-tabulate@0.8.9:", type=("build", "run"))
+    depends_on("py-redis@4.5:", type=("build", "run"))
+    depends_on("py-tqdm@4.50.2:", type=("build", "run"))
+    depends_on("py-filelock@3.4.2:", type=("build", "run"))
+    depends_on("py-protobuf@3.20:3", type=("build", "run"))
+
+    # Companion libs
+    depends_on("py-smartredis@0.4.1:", type=("build", "run"), when="@0.5.0")
+
+    # Backends
+    # SmartSim defines sensible and well tested lower bounds for redis
+    # for the CLI to fetch in the `smartsim._core._install.buildenv.Versioner`
+    # class (lower versions are unable to parse the default `redis.conf` shipped
+    # with SmartSim), but allows users to upgrade explicitly by setting
+    # environment variables.
+    depends_on("redis@7.0.5:", type=("build", "run"))
+    depends_on("redis-ai", type=("build", "run"))
+
+    # ML Deps
+    # The lower bound for these py-* deps can be found in the source code
+    # at `smartsim/_core/_install/buildenv.py`.
+    with when("+torch"):
+        depends_on("redis-ai+torch", type=("build", "run"))
+        depends_on("py-torch@1.11.0:", type=("build", "run"))
+        depends_on("py-torchvision@0.12.0:", type=("build", "run"))
+
+    # By default, the SmartSim `setup.py` will attempt to fetch and build
+    # its own copy of Redis. This should be patched out and the version of
+    # Redis retrieved through spack should be used instead.
+    patch("ss-dont-build-db.patch")
+
+    # SmartSim provides its own CLI to fetch and build its own
+    # copy of Redis, RedisAI, and ML deps. This functionality should be
+    # patched out so that users do not accidentally overwrite/break
+    # dependencies fetched though Spack
+    patch("ss-0-5-0-remove-cli-build-fns.patch")
+
+    def setup_build_environment(self, env):
+        env.set("BUILD_JOBS", make_jobs)
+
+    @run_after("install")
+    def symlink_bin_deps(self):
+        ss_core_path = join_path(python_purelib, "smartsim", "_core")
+        os.symlink(
+            self.spec["redis"].prefix.bin.join("redis-server"),
+            join_path(ss_core_path, "bin", "redis-server"),
+        )
+        os.symlink(
+            self.spec["redis"].prefix.bin.join("redis-cli"),
+            join_path(ss_core_path, "bin", "redis-cli"),
+        )
+        os.symlink(self.spec["redis-ai"].prefix, join_path(ss_core_path, "lib"))
diff --git a/var/spack/repos/builtin/packages/py-smartsim/ss-0-5-0-remove-cli-build-fns.patch b/var/spack/repos/builtin/packages/py-smartsim/ss-0-5-0-remove-cli-build-fns.patch
new file mode 100644
index 0000000000..4dbb0f4273
--- /dev/null
+++ b/var/spack/repos/builtin/packages/py-smartsim/ss-0-5-0-remove-cli-build-fns.patch
@@ -0,0 +1,22 @@
+diff --git a/smartsim/_core/_cli/cli.py b/smartsim/_core/_cli/cli.py
+index 7dbb144..93da137 100644
+--- a/smartsim/_core/_cli/cli.py
++++ b/smartsim/_core/_cli/cli.py
+@@ -68,14 +68,17 @@ class SmartCli:
+         getattr(self, args.command)()
+ 
+     def build(self) -> None:
++        raise RuntimeError("`smart build` not supported through spack install")
+         Build()
+         sys.exit(0)
+ 
+     def clean(self) -> None:
++        raise RuntimeError("`smart clean` not supported through spack install")
+         Clean()
+         sys.exit(0)
+ 
+     def clobber(self) -> None:
++        raise RuntimeError("`smart clobber` not supported through spack install")
+         Clean(clean_all=True)
+         sys.exit(0)
+ 
diff --git a/var/spack/repos/builtin/packages/py-smartsim/ss-dont-build-db.patch b/var/spack/repos/builtin/packages/py-smartsim/ss-dont-build-db.patch
new file mode 100644
index 0000000000..0553a499c5
--- /dev/null
+++ b/var/spack/repos/builtin/packages/py-smartsim/ss-dont-build-db.patch
@@ -0,0 +1,27 @@
+diff --git a/setup.py b/setup.py
+index 6758bec..499567e 100644
+--- a/setup.py
++++ b/setup.py
+@@ -134,14 +134,14 @@ class InstallPlatlib(install):
+ class SmartSimBuild(build_py):
+ 
+     def run(self):
+-        database_builder = builder.DatabaseBuilder(build_env(),
+-                                             build_env.MALLOC,
+-                                             build_env.JOBS)
+-        if not database_builder.is_built:
+-            database_builder.build_from_git(versions.REDIS_URL,
+-                                         versions.REDIS)
+-
+-            database_builder.cleanup()
++        # database_builder = builder.DatabaseBuilder(build_env(),
++        #                                      build_env.MALLOC,
++        #                                      build_env.JOBS)
++        # if not database_builder.is_built:
++        #     database_builder.build_from_git(versions.REDIS_URL,
++        #                                  versions.REDIS)
++        #
++        #     database_builder.cleanup()
+ 
+         # run original build_py command
+         super().run()