Add CUDA 12.1.1, CUDA samples, and CUDA related hooks and lmodrc changes

EESSI-install-software.sh

@@ -229,7 +229,8 @@ done
 
 echo ">> Creating/updating Lmod cache..."
 export LMOD_RC="${EASYBUILD_INSTALLPATH}/.lmod/lmodrc.lua"
-if [ ! -f $LMOD_RC ]; then
+lmodrc_changed=$(cat ${pr_diff} | grep '^+++' | cut -f2 -d' ' | sed 's@^[a-z]/@@g' | grep '^create_lmodrc.py$' > /dev/null; echo $?)
+if [ ! -f $LMOD_RC ] || [ ${lmodrc_changed} == '0' ]; then
     python3 $TOPDIR/create_lmodrc.py ${EASYBUILD_INSTALLPATH}
     check_exit_code $? "$LMOD_RC created" "Failed to create $LMOD_RC"
 fi

create_lmodrc.py

@@ -17,6 +17,81 @@
 }
 """
 
+GPU_LMOD_RC ="""require("strict")
+local hook = require("Hook")
+local open = io.open
+
+local function read_file(path)
+    local file = open(path, "rb") -- r read mode and b binary mode
+    if not file then return nil end
+    local content = file:read "*a" -- *a or *all reads the whole file
+    file:close()
+    return content
+end
+
+local function cuda_enabled_load_hook(t)
+    local frameStk  = require("FrameStk"):singleton()
+    local mt        = frameStk:mt()
+    local simpleName = string.match(t.modFullName, "(.-)/")
+    -- If we try to load CUDA itself, check if the full CUDA SDK was installed on the host in host_injections. 
+    -- This is required for end users to build additional CUDA software. If the full SDK isn't present, refuse
+    -- to load the CUDA module and print an informative message on how to set up GPU support for EESSI
+    if simpleName == 'CUDA' then
+        -- get the full host_injections path
+        local hostInjections = string.gsub(os.getenv('EESSI_SOFTWARE_PATH') or "", 'versions', 'host_injections')
+        -- build final path where the CUDA software should be installed
+        local cudaEasyBuildDir = hostInjections .. "/software/" .. t.modFullName .. "/easybuild"
+        local cudaDirExists = isDir(cudaEasyBuildDir)
+        if not cudaDirExists then
+            local advice = "but while the module file exists, the actual software is not entirely shipped with EESSI "
+            advice = advice .. "due to licencing. In order to be able to use the CUDA module, please follow the "
+            advice = advice .. "instructions available under https://www.eessi.io/docs/gpu/ \\n"
+            LmodError("\\nYou requested to load ", simpleName, " ", advice)
+        end
+    end
+    -- when loading CUDA enabled modules check if the necessary driver libraries are accessible to the EESSI linker,
+    -- otherwise, refuse to load the requested module and print error message
+    local haveGpu = mt:haveProperty(simpleName,"arch","gpu")
+    if haveGpu then
+        local arch = os.getenv("EESSI_CPU_FAMILY") or ""
+        local cudaVersionFile = "/cvmfs/software.eessi.io/host_injections/nvidia/" .. arch .. "/latest/cuda_version.txt"
+        local cudaDriverFile = "/cvmfs/software.eessi.io/host_injections/nvidia/" .. arch .. "/latest/libcuda.so"
+        local cudaDriverExists = isFile(cudaDriverFile)
+        local singularityCudaExists = isFile("/.singularity.d/libs/libcuda.so")
+        if not (cudaDriverExists or singularityCudaExists)  then
+            local advice = "which relies on the CUDA runtime environment and driver libraries. "
+            advice = advice .. "In order to be able to use the module, please follow the instructions "
+            advice = advice .. "available under https://www.eessi.io/docs/gpu/ \\n"
+            LmodError("\\nYou requested to load ", simpleName, " ", advice)
+        else
+            -- CUDA driver exists, now we check its version to see if an update is needed
+            if cudaDriverExists then
+                local cudaVersion = read_file(cudaVersionFile)
+                local cudaVersion_req = os.getenv("EESSICUDAVERSION")
+                -- driver CUDA versions don't give a patch version for CUDA
+                local major, minor = string.match(cudaVersion, "(%d+)%.(%d+)")
+                local major_req, minor_req, patch_req = string.match(cudaVersion_req, "(%d+)%.(%d+)%.(%d+)")
+                local driver_libs_need_update = false
+                if major < major_req then
+                    driver_libs_need_update = true
+                elseif major == major_req then
+                    if minor < minor_req then
+                        driver_libs_need_update = true
+                    end
+                end
+                if driver_libs_need_update == true then
+                    local advice = "but the module you want to load requires CUDA  " .. cudaVersion_req .. ". "
+                    advice = advice .. "Please update your CUDA driver libraries and then follow the instructions "
+                    advice = advice .. "under https://www.eessi.io/docs/gpu/ to let EESSI know about the update.\\n"
+                    LmodError("\\nYour driver CUDA version is ", cudaVersion, " ", advice)
+                end
+            end
+        end
+    end
+end
+
+hook.register("load", cuda_enabled_load_hook)
+"""
 
 def error(msg):
     sys.stderr.write("ERROR: %s\n" % msg)
@@ -36,6 +111,7 @@ def error(msg):
     'dot_lmod': DOT_LMOD,
     'prefix': prefix,
 }
+lmodrc_txt += '\n' + GPU_LMOD_RC
 try:
     os.makedirs(os.path.dirname(lmodrc_path), exist_ok=True)
     with open(lmodrc_path, 'w') as fp:

easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-4.8.2-2023a.yml

@@ -35,3 +35,9 @@ easyconfigs:
   - Boost-1.82.0-GCC-12.3.0.eb
   - netCDF-4.9.2-gompi-2023a.eb
   - FFmpeg-6.0-GCCcore-12.3.0.eb
+  - CUDA-Samples-12.1-GCC-12.3.0-CUDA-12.1.1.eb
+      # use easyconfig that only install subset of CUDA samples,
+      # to circumvent problem with nvcc linking to glibc of host OS;
+      # see https://github.com/easybuilders/easybuild-easyconfigs/pull/19189
+      options:
+        from-pr: 19189

easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-4.8.2-system.yml

@@ -5,3 +5,7 @@ easyconfigs:
   - Nextflow-23.10.0.eb:
       options:
         from-pr: 19172
+  - CUDA-12.1.1.eb:
+      options:
+        include-easyblocks-from-pr: 3045
+        accept-eula-for: CUDA

eb_hooks.py

@@ -68,6 +68,9 @@ def parse_hook(ec, *args, **kwargs):
     if ec.name in PARSE_HOOKS:
         PARSE_HOOKS[ec.name](ec, eprefix)
 
+    # inject the GPU property (if required)
+    ec = inject_gpu_property(ec)
+
 
 def post_ready_hook(self, *args, **kwargs):
     """
@@ -247,6 +250,12 @@ def pre_configure_hook(self, *args, **kwargs):
         PRE_CONFIGURE_HOOKS[self.name](self, *args, **kwargs)
 
 
+def post_sanitycheck_hook(self, *args, **kwargs):
+    """Main post-sanity-check hook: trigger custom functions based on software name."""
+    if self.name in POST_SANITYCHECK_HOOKS:
+        POST_SANITYCHECK_HOOKS[self.name](self, *args, **kwargs)
+
+
 def pre_configure_hook_openblas_optarch_generic(self, *args, **kwargs):
     """
     Pre-configure hook for OpenBLAS: add DYNAMIC_ARCH=1 to build/test/install options when using --optarch=GENERIC
@@ -393,6 +402,81 @@ def pre_single_extension_isoband(ext, *args, **kwargs):
         ext.cfg['preinstallopts'] = "sed -i 's/SIGSTKSZ/32768/g' src/testthat/vendor/catch.h && "
 
 
+def post_sanitycheck_cuda(self, *args, **kwargs):
+    """Delete CUDA files we are not allowed to ship and replace them with a symlink to a possible installation under host_injections."""
+    print_msg("Replacing CUDA stuff we cannot ship with symlinks...")
+    # read CUDA EULA
+    eula_path = os.path.join(self.installdir, "EULA.txt")
+    tmp_buffer = []
+    with open(eula_path) as infile:
+        copy = False
+        for line in infile:
+            if line.strip() == "2.6. Attachment A":
+                copy = True
+                continue
+            elif line.strip() == "2.7. Attachment B":
+                copy = False
+                continue
+            elif copy:
+                tmp_buffer.append(line)
+    # create whitelist without file extensions, they're not really needed and they only complicate things
+    whitelist = ['EULA', 'README']
+    file_extensions = [".so", ".a", ".h", ".bc"]
+    for tmp in tmp_buffer:
+        for word in tmp.split():
+            if any(ext in word for ext in file_extensions):
+                whitelist.append(word.split(".")[0])
+    whitelist = list(set(whitelist))
+    # Do some quick checks for things we should or shouldn't have in the list
+    if "nvcc" in whitelist:
+        raise EasyBuildError("Found 'nvcc' in whitelist: %s" % whitelist)
+    if "libcudart" not in whitelist:
+        raise EasyBuildError("Did not find 'libcudart' in whitelist: %s" % whitelist)
+    # iterate over all files in the CUDA path
+    for root, dirs, files in os.walk(self.installdir):
+        for filename in files:
+            # we only really care about real files, i.e. not symlinks
+            if not os.path.islink(os.path.join(root, filename)):
+                # check if the current file is part of the whitelist
+                basename = filename.split(".")[0]
+                if basename not in whitelist:
+                    # if it is not in the whitelist, delete the file and create a symlink to host_injections
+                    source = os.path.join(root, filename)
+                    target = source.replace("versions", "host_injections")
+                    # Make sure source and target are not the same
+                    if source == target:
+                        raise EasyBuildError("Source (%s) and target (%s) are the same location, are you sure you are"
+                                             "using this hook for an EESSI installation?")
+                    os.remove(source)
+                    # Using os.symlink requires the existence of the target directory, so we use os.system
+                    system_command="ln -s '%s' '%s'" % (target, source)
+                    if os.system(system_command) != 0:
+                        raise EasyBuildError("Failed to create symbolic link: %s" % system_command)
+
+
+def inject_gpu_property(ec):
+    ec_dict = ec.asdict()
+    # Check if CUDA is in the dependencies, if so add the GPU Lmod tag
+    if ("CUDA" in [dep[0] for dep in iter(ec_dict["dependencies"])]):
+        ec.log.info("[parse hook] Injecting gpu as Lmod arch property and envvar with CUDA version")
+        key = "modluafooter"
+        value = 'add_property("arch","gpu")'
+        cuda_version = 0
+        for dep in iter(ec_dict["dependencies"]):
+            # Make CUDA a build dependency only (rpathing saves us from link errors)
+            if "CUDA" in dep[0]:
+                cuda_version = dep[1]
+                ec_dict["dependencies"].remove(dep)
+                ec_dict["builddependencies"].append(dep) if dep not in ec_dict["builddependencies"] else ec_dict["builddependencies"]
+        value = "\n".join([value, 'setenv("EESSICUDAVERSION","%s")' % cuda_version])
+        if key in ec_dict:
+            if not value in ec_dict[key]:
+                ec[key] = "\n".join([ec_dict[key], value])
+        else:
+            ec[key] = value
+    return ec
+
+
 PARSE_HOOKS = {
     'CGAL': parse_hook_cgal_toolchainopts_precise,
     'fontconfig': parse_hook_fontconfig_add_fonts,
@@ -424,3 +508,7 @@ def pre_single_extension_isoband(ext, *args, **kwargs):
     'isoband': pre_single_extension_isoband,
     'testthat': pre_single_extension_testthat,
 }
+
+POST_SANITYCHECK_HOOKS = {
+    'CUDA': post_sanitycheck_cuda,
+}