add support for iterative build of OpenBLAS with 64-bit integers

easybuild/easyblocks/o/openblas.py

@@ -3,6 +3,7 @@
 
 @author: Andrew Edmondson (University of Birmingham)
 @author: Alex Domingo (Vrije Universiteit Brussel)
+@author: Jasper Grimm (University of York)
 @author: Kenneth Hoste (Ghent University)
 """
 import os
@@ -12,6 +13,7 @@
 from easybuild.framework.easyconfig import CUSTOM
 from easybuild.tools.build_log import EasyBuildError, print_warning
 from easybuild.tools.config import build_option
+from easybuild.tools.filetools import apply_regex_substitutions
 from easybuild.tools.run import run_shell_cmd
 from easybuild.tools.systemtools import AARCH64, POWER, get_cpu_architecture, get_shared_lib_ext
 from easybuild.tools.toolchain.compiler import OPTARCH_GENERIC
@@ -28,6 +30,9 @@ class EB_OpenBLAS(ConfigureMake):
     def extra_options():
         """Custom easyconfig parameters for OpenBLAS easyblock."""
         extra_vars = {
+            'enable_ilp64': [True, "Also build OpenBLAS with 64-bit integer support", CUSTOM],
+            'ilp64_lib_suffix': ['64', "Library name suffix to use when building with 64-bit integers", CUSTOM],
+            'ilp64_symbol_suffix': ['64_', "Symbol suffix to use when building with 64-bit integers", CUSTOM],
             'max_failing_lapack_tests_num_errors': [0, "Maximum number of LAPACK tests failing "
                                                     "due to numerical errors", CUSTOM],
             'max_failing_lapack_tests_other_errors': [0, "Maximum number of LAPACK tests failing "
@@ -38,9 +43,27 @@ def extra_options():
 
         return ConfigureMake.extra_options(extra_vars)
 
+    def __init__(self, *args, **kwargs):
+        """ Ensure iterative build if also building with 64-bit integer support """
+        super(EB_OpenBLAS, self).__init__(*args, **kwargs)
+
+        if self.cfg['enable_ilp64']:
+            if not isinstance(self.cfg['buildopts'], list):
+                niter = 1 + sum([bool(self.cfg[x]) for x in ['ilp64_lib_suffix', 'ilp64_symbol_suffix']])
+                # ensure iterative build by duplicating buildopts
+                self.cfg['buildopts'] = [self.cfg['buildopts']] * niter
+            else:
+                print_warning("buildopts cannot be a list when 'enable_ilp64' is enabled; ignoring 'enable_ilp64'")
+                self.cfg['enable_ilp64'] = False
+
+        self.orig_opts = {
+            'buildopts': '',
+            'testopts': '',
+            'installopts': '',
+        }
+
     def configure_step(self):
         """ set up some options - but no configure command to run"""
-
         default_opts = {
             'BINARY': '64',
             'CC': os.getenv('CC'),
@@ -50,6 +73,26 @@ def configure_step(self):
             'USE_THREAD': '1',
         }
 
+        ilp64_lib_opts = {
+            'INTERFACE64': '1',
+            'LIBPREFIX': f"libopenblas{self.cfg['ilp64_lib_suffix']}",
+        }
+        ilp64_symbol_opts = {
+            'INTERFACE64': '1',
+            'SYMBOLSUFFIX': self.cfg['ilp64_symbol_suffix'],
+        }
+
+        # ensure build/test/install options don't persist between iterations
+        if self.cfg['enable_ilp64']:
+            if self.iter_idx > 0:
+                # reset to original build/test/install options
+                for key in self.orig_opts.keys():
+                    self.cfg[key] = self.orig_opts[key]
+            else:
+                # store original options
+                for key in self.orig_opts.keys():
+                    self.orig_opts[key] = self.cfg[key]
+
         if '%s=' % TARGET in self.cfg['buildopts']:
             # Add any TARGET in buildopts to default_opts, so it is passed to testopts and installopts
             for buildopt in self.cfg['buildopts'].split():
@@ -78,10 +121,23 @@ def configure_step(self):
                 self.log.info("Replaced -mcpu=generic with -mtune=generic in $CFLAGS")
                 env.setvar('CFLAGS', cflags)
 
-        for key in sorted(default_opts.keys()):
+        all_opts = default_opts.copy()
+        if self.iter_idx > 0 and self.cfg['enable_ilp64']:
+            # update build/test/install options for ILP64
+            if self.cfg['ilp64_lib_suffix'] and self.cfg['ilp64_symbol_suffix']:
+                if self.iter_idx == 1:
+                    all_opts.update(ilp64_lib_opts)
+                else:
+                    all_opts.update(ilp64_symbol_opts)
+            elif self.cfg['ilp64_lib_suffix']:
+                all_opts.update(ilp64_lib_opts)
+            elif self.cfg['ilp64_symbol_suffix']:
+                all_opts.update(ilp64_symbol_opts)
+
+        for key in sorted(all_opts.keys()):
             for opts_key in ['buildopts', 'testopts', 'installopts']:
-                if '%s=' % key not in self.cfg[opts_key]:
-                    self.cfg.update(opts_key, "%s='%s'" % (key, default_opts[key]))
+                if f'{key}=' not in self.cfg[opts_key]:
+                    self.cfg.update(opts_key, f"{key}='{all_opts[key]}'")
 
         self.cfg.update('installopts', 'PREFIX=%s' % self.installdir)
 
@@ -101,15 +157,27 @@ def build_step(self):
         # Pass CFLAGS through command line to avoid redefinitions (issue xianyi/OpenBLAS#818)
         cflags = 'CFLAGS'
         if os.environ[cflags]:
-            self.cfg.update('buildopts', "%s='%s'" % (cflags, os.environ[cflags]))
+            self.cfg.update('buildopts', f"{cflags}='{os.environ[cflags]}'")
             del os.environ[cflags]
-            self.log.info("Environment variable %s unset and passed through command line" % cflags)
+            self.log.info(f"Environment variable {cflags} unset and passed through command line")
 
         makecmd = f'make {self.parallel_flag}'
 
         cmd = ' '.join([self.cfg['prebuildopts'], makecmd, ' '.join(build_parts), self.cfg['buildopts']])
         run_shell_cmd(cmd)
 
+    def install_step(self):
+        """Fix libsuffix in openblas64.pc if it exists"""
+        super(EB_OpenBLAS, self).install_step()
+        if self.iter_idx > 0 and self.cfg['enable_ilp64'] and self.cfg['ilp64_lib_suffix']:
+            filepath = os.path.join(self.installdir, 'lib', 'pkgconfig', 'openblas64.pc')
+            if os.path.exists(filepath):
+                regex_subs = [
+                    (r'^libsuffix=.*$', f"libsuffix={self.cfg['ilp64_lib_suffix']}"),
+                    (r'^Name: openblas$', 'Name: openblas64'),
+                ]
+                apply_regex_substitutions(filepath, regex_subs, backup=False)
+
     def check_lapack_test_results(self, test_output):
         """Check output of OpenBLAS' LAPACK test suite ('make lapack-test')."""
 
@@ -155,7 +223,7 @@ def test_step(self):
             run_tests += [self.cfg['runtest']]
 
         for runtest in run_tests:
-            cmd = "%s make %s %s" % (self.cfg['pretestopts'], runtest, self.cfg['testopts'])
+            cmd = f"{self.cfg['pretestopts']} make {runtest} {self.cfg['testopts']}"
             res = run_shell_cmd(cmd)
 
             # Raise an error if any test failed
@@ -170,10 +238,18 @@ def test_step(self):
 
     def sanity_check_step(self):
         """ Custom sanity check for OpenBLAS """
+        shlib_ext = get_shared_lib_ext()
         custom_paths = {
             'files': ['include/cblas.h', 'include/f77blas.h', 'include/lapacke_config.h', 'include/lapacke.h',
                       'include/lapacke_mangling.h', 'include/lapacke_utils.h', 'include/openblas_config.h',
-                      'lib/libopenblas.a', 'lib/libopenblas.%s' % get_shared_lib_ext()],
+                      'lib/libopenblas.a', f'lib/libopenblas.{shlib_ext}'],
             'dirs': [],
         }
+        if self.cfg['enable_ilp64']:
+            for suffixtype in 'lib', 'symbol':
+                filename_suffix = self.cfg[f'ilp64_{suffixtype}_suffix']
+                if filename_suffix:
+                    custom_paths['files'].extend(f"lib/libopenblas{filename_suffix}.{ext}"
+                                                 for ext in ['a', shlib_ext])
+
         super().sanity_check_step(custom_paths=custom_paths)