def test_platform_name_darwin(self):
"""Test getting platform name (mocked for Darwin)."""
st.get_os_type = lambda: st.DARWIN
self.assertTrue(re.match('.*-apple-darwin$', get_platform_name()))
self.assertTrue(
re.match('.*-apple-darwin.*$',
get_platform_name(withversion=True)))
def test_platform_name_linux(self):
"""Test getting platform name (mocked for Linux)."""
st.get_os_type = lambda: st.LINUX
self.assertTrue(re.match('.*-unknown-linux$', get_platform_name()))
self.assertTrue(
re.match('.*-unknown-linux-gnu$',
get_platform_name(withversion=True)))
def test_platform_name_native(self):
"""Test getting platform name."""
platform_name_nover = get_platform_name()
self.assertTrue(isinstance(platform_name_nover, basestring))
len_nover = len(platform_name_nover.split('-'))
self.assertTrue(len_nover >= 3)
platform_name_ver = get_platform_name(withversion=True)
self.assertTrue(isinstance(platform_name_ver, basestring))
len_ver = len(platform_name_ver.split('-'))
self.assertTrue(platform_name_ver.startswith(platform_name_ver))
self.assertTrue(len_ver >= len_nover)
def test_platform_name(self):
"""Test getting platform name."""
platform_name_nover = get_platform_name()
self.assertTrue(isinstance(platform_name_nover, basestring))
len_nover = len(platform_name_nover.split('-'))
self.assertTrue(len_nover >= 3)
platform_name_ver = get_platform_name(withversion=True)
self.assertTrue(isinstance(platform_name_ver, basestring))
len_ver = len(platform_name_ver.split('-'))
self.assertTrue(platform_name_ver.startswith(platform_name_ver))
self.assertTrue(len_ver >= len_nover)
def install_step(self):
"""
Actual installation
- create silent cfg file
- execute command
"""
platform_name = get_platform_name()
if platform_name.startswith('x86_64'):
self.arch = "intel64"
elif platform_name.startswith('i386') or platform_name.startswith('i686'):
self.arch = 'ia32'
else:
raise EasyBuildError("Failed to determine system architecture based on %s", platform_name)
silent_cfg_names_map = None
silent_cfg_extras = None
if LooseVersion(self.version) < LooseVersion('8.0'):
silent_cfg_names_map = {
'activation_name': ACTIVATION_NAME_2012,
'license_file_name': LICENSE_FILE_NAME_2012,
}
# in case of IPP 9.x, we have to specify ARCH_SELECTED in silent.cfg
if LooseVersion(self.version) >= LooseVersion('9.0'):
silent_cfg_extras = {
'ARCH_SELECTED': self.arch.upper()
}
super(EB_ipp, self).install_step(silent_cfg_names_map=silent_cfg_names_map, silent_cfg_extras=silent_cfg_extras)
def __init__(self, *args, **kwargs):
"""Initialisation of custom class variables for tbb"""
super(EB_tbb, self).__init__(*args, **kwargs)
platform_name = get_platform_name()
myarch = get_cpu_architecture()
if platform_name.startswith('x86_64'):
self.arch = "intel64"
elif platform_name.startswith('i386') or platform_name.startswith(
'i686'):
self.arch = 'ia32'
elif myarch == POWER:
self.arch = 'ppc64'
else:
raise EasyBuildError(
"Failed to determine system architecture based on %s",
platform_name)
if not self.toolchain.is_system_toolchain():
# open-source TBB version
self.build_in_installdir = True
self.cfg['requires_runtime_license'] = False
if self.toolchain.is_system_toolchain():
self.tbb_subdir = 'tbb'
else:
self.tbb_subdir = ''
def __init__(self, *args, **kwargs):
super(EB_GCC, self).__init__(*args, **kwargs)
self.stagedbuild = False
# need to make sure version is an actual version
# required because of support in SystemCompiler generic easyblock to specify 'system' as version,
# which results in deriving the actual compiler version
# comparing a non-version like 'system' with an actual version like '2016' fails with TypeError in Python 3.x
if re.match(r'^[0-9]+\.[0-9]+.*', self.version):
version = LooseVersion(self.version)
if version >= LooseVersion('4.8.0') and self.cfg[
'clooguseisl'] and not self.cfg['withisl']:
raise EasyBuildError(
"Using ISL bundled with CLooG is unsupported in >=GCC-4.8.0. "
"Use a seperate ISL: set withisl=True")
# I think ISL without CLooG has no purpose in GCC < 5.0.0 ...
if version < LooseVersion('5.0.0') and self.cfg[
'withisl'] and not self.cfg['withcloog']:
raise EasyBuildError(
"Activating ISL without CLooG is pointless")
# unset some environment variables that are known to may cause nasty build errors when bootstrapping
self.cfg.update('unwanted_env_vars', [
'CPATH', 'C_INCLUDE_PATH', 'CPLUS_INCLUDE_PATH',
'OBJC_INCLUDE_PATH'
])
# ubuntu needs the LIBRARY_PATH env var to work apparently (#363)
if get_os_name() not in ['ubuntu', 'debian']:
self.cfg.update('unwanted_env_vars', ['LIBRARY_PATH'])
self.platform_lib = get_platform_name(withversion=True)
def __init__(self, *args, **kwargs):
super(EB_GCC, self).__init__(*args, **kwargs)
self.stagedbuild = False
if LooseVersion(self.version) >= LooseVersion("4.8.0") and self.cfg[
'clooguseisl'] and not self.cfg['withisl']:
raise EasyBuildError(
"Using ISL bundled with CLooG is unsupported in >=GCC-4.8.0. "
"Use a seperate ISL: set withisl=True")
# I think ISL without CLooG has no purpose in GCC < 5.0.0 ...
if LooseVersion(self.version) < LooseVersion(
"5.0.0") and self.cfg['withisl'] and not self.cfg['withcloog']:
raise EasyBuildError("Activating ISL without CLooG is pointless")
# unset some environment variables that are known to may cause nasty build errors when bootstrapping
self.cfg.update('unwanted_env_vars', [
'CPATH', 'C_INCLUDE_PATH', 'CPLUS_INCLUDE_PATH',
'OBJC_INCLUDE_PATH'
])
# ubuntu needs the LIBRARY_PATH env var to work apparently (#363)
if get_os_name() not in ['ubuntu', 'debian']:
self.cfg.update('unwanted_env_vars', ['LIBRARY_PATH'])
self.platform_lib = get_platform_name(withversion=True)
def __init__(self, *args, **kwargs):
"""Initialisation of custom class variables for tbb"""
super(EB_tbb, self).__init__(*args, **kwargs)
self.libpath = 'UNKNOWN'
platform_name = get_platform_name()
if platform_name.startswith('x86_64'):
self.arch = "intel64"
elif platform_name.startswith('i386') or platform_name.startswith('i686'):
self.arch = 'ia32'
else:
raise EasyBuildError("Failed to determine system architecture based on %s", platform_name)
def __init__(self, *args, **kwargs):
"""Initialisation of custom class variables for tbb"""
super(EB_tbb, self).__init__(*args, **kwargs)
self.libpath = 'UNKNOWN'
platform_name = get_platform_name()
if platform_name.startswith('x86_64'):
self.arch = "intel64"
elif platform_name.startswith('i386') or platform_name.startswith('i686'):
self.arch = 'ia32'
else:
raise EasyBuildError("Failed to determine system architecture based on %s", platform_name)
def __init__(self, *args, **kwargs):
"""Initialisation of custom class variables for tbb"""
super(EB_tbb, self).__init__(*args, **kwargs)
self.libpath = 'UNKNOWN'
platform_name = get_platform_name()
if platform_name.startswith('x86_64'):
self.arch = "intel64"
elif platform_name.startswith('i386') or platform_name.startswith('i686'):
self.arch = 'ia32'
else:
raise EasyBuildError("Failed to determine system architecture based on %s", platform_name)
if self.toolchain.name != DUMMY_TOOLCHAIN_NAME:
# open-source TBB version
self.build_in_installdir = True
self.cfg['requires_runtime_license'] = False
def __init__(self, *args, **kwargs):
"""Initialisation of custom class variables for tbb"""
super(EB_tbb, self).__init__(*args, **kwargs)
self.libpath = 'UNKNOWN'
platform_name = get_platform_name()
if platform_name.startswith('x86_64'):
self.arch = "intel64"
elif platform_name.startswith('i386') or platform_name.startswith(
'i686'):
self.arch = 'ia32'
else:
raise EasyBuildError(
"Failed to determine system architecture based on %s",
platform_name)
if self.toolchain.name != DUMMY_TOOLCHAIN_NAME:
# open-source TBB version
self.build_in_installdir = True
self.cfg['requires_runtime_license'] = False
def __init__(self, *args, **kwargs):
super(EB_GCC, self).__init__(*args, **kwargs)
self.stagedbuild = False
if LooseVersion(self.version) >= LooseVersion("4.8.0") and self.cfg['clooguseisl'] and not self.cfg['withisl']:
raise EasyBuildError("Using ISL bundled with CLooG is unsupported in >=GCC-4.8.0. "
"Use a seperate ISL: set withisl=True")
# I think ISL without CLooG has no purpose in GCC < 5.0.0 ...
if LooseVersion(self.version) < LooseVersion("5.0.0") and self.cfg['withisl'] and not self.cfg['withcloog']:
raise EasyBuildError("Activating ISL without CLooG is pointless")
# unset some environment variables that are known to may cause nasty build errors when bootstrapping
self.cfg.update('unwanted_env_vars', ['CPATH', 'C_INCLUDE_PATH', 'CPLUS_INCLUDE_PATH', 'OBJC_INCLUDE_PATH'])
# ubuntu needs the LIBRARY_PATH env var to work apparently (#363)
if get_os_name() not in ['ubuntu', 'debian']:
self.cfg.update('unwanted_env_vars', ['LIBRARY_PATH'])
self.platform_lib = get_platform_name(withversion=True)
def configure_step(self):
"""Configure GAMESS-US build via provided interactive 'config' script."""
# machine type
platform_name = get_platform_name()
x86_64_linux_re = re.compile('^x86_64-.*$')
if x86_64_linux_re.match(platform_name):
machinetype = "linux64"
else:
raise EasyBuildError("Build target %s currently unsupported",
platform_name)
# compiler config
comp_fam = self.toolchain.comp_family()
fortran_comp, fortran_ver = None, None
if comp_fam == toolchain.INTELCOMP:
fortran_comp = 'ifort'
(out, _) = run_cmd("ifort -v", simple=False)
res = re.search(r"^ifort version ([0-9]+)\.[0-9.]+$", out)
if res:
fortran_ver = res.group(1)
else:
raise EasyBuildError(
"Failed to determine ifort major version number")
elif comp_fam == toolchain.GCC:
fortran_comp = 'gfortran'
fortran_ver = '.'.join(get_software_version('GCC').split('.')[:2])
else:
raise EasyBuildError("Compiler family '%s' currently unsupported.",
comp_fam)
# math library config
known_mathlibs = ['imkl', 'OpenBLAS', 'ATLAS', 'ACML']
mathlib, mathlib_root = None, None
for mathlib in known_mathlibs:
mathlib_root = get_software_root(mathlib)
if mathlib_root is not None:
break
if mathlib_root is None:
raise EasyBuildError(
"None of the known math libraries (%s) available, giving up.",
known_mathlibs)
if mathlib == 'imkl':
mathlib = 'mkl'
mathlib_root = os.path.join(mathlib_root, 'mkl')
else:
mathlib = mathlib.lower()
# verify selected DDI communication layer
known_ddi_comms = ['mpi', 'mixed', 'shmem', 'sockets']
if not self.cfg['ddi_comm'] in known_ddi_comms:
raise EasyBuildError(
"Unsupported DDI communication layer specified (known: %s): %s",
known_ddi_comms, self.cfg['ddi_comm'])
# MPI library config
mpilib, mpilib_root, mpilib_path = None, None, None
if self.cfg['ddi_comm'] == 'mpi':
known_mpilibs = ['impi', 'OpenMPI', 'MVAPICH2', 'MPICH2']
for mpilib in known_mpilibs:
mpilib_root = get_software_root(mpilib)
if mpilib_root is not None:
break
if mpilib_root is None:
raise EasyBuildError(
"None of the known MPI libraries (%s) available, giving up.",
known_mpilibs)
mpilib_path = mpilib_root
if mpilib == 'impi':
mpilib_path = os.path.join(mpilib_root, 'intel64')
else:
mpilib = mpilib.lower()
else:
mpilib, mpilib_root = '', ''
# run interactive 'config' script to generate install.info file
cmd = "%(preconfigopts)s ./config %(configopts)s" % {
'preconfigopts': self.cfg['preconfigopts'],
'configopts': self.cfg['configopts'],
}
qa = {
"After the new window is open, please hit <return> to go on.":
'',
"please enter your target machine name: ":
machinetype,
"Version? [00] ":
self.version,
"Please enter your choice of FORTRAN: ":
fortran_comp,
"hit <return> to continue to the math library setup.":
'',
"MKL pathname? ":
mathlib_root,
"MKL version (or 'skip')? ":
'skip',
"MKL version (or 'proceed')? ":
'proceed', # changed in gamess-20170420R1
"please hit <return> to compile the GAMESS source code activator":
'',
"please hit <return> to set up your network for Linux clusters.":
'',
"communication library ('sockets' or 'mpi')? ":
self.cfg['ddi_comm'],
"Enter MPI library (impi, mvapich2, mpt, sockets):":
mpilib,
"Enter MPI library (impi, mpich, mpich2, mvapich2, mpt, sockets):":
mpilib, # changed in gamess-20170420R1
"Please enter your %s's location: " % mpilib:
mpilib_root,
"Do you want to try LIBCCHEM? (yes/no): ":
'no',
"Enter full path to OpenBLAS libraries (without 'lib' subdirectory):":
mathlib_root,
"Optional: Build Michigan State University CCT3 & CCSD3A methods? (yes/no): ":
'no',
}
stdqa = {
r"GAMESS directory\? \[.*\] ":
self.builddir,
r"GAMESS build directory\? \[.*\] ":
self.installdir, # building in install directory
r"Enter only the main version number, such as .*\nVersion\? ":
fortran_ver,
r".+gfortran version.\n( \n)?Please enter only the first decimal place, such as .*:":
fortran_ver,
"Enter your choice of 'mkl' or .* 'none': ":
mathlib,
}
run_cmd_qa(cmd, qa=qa, std_qa=stdqa, log_all=True, simple=True)
self.log.debug("Contents of install.info:\n%s" %
read_file(os.path.join(self.builddir, 'install.info')))
# patch hardcoded settings in rungms to use values specified in easyconfig file
rungms = os.path.join(self.builddir, 'rungms')
extra_gmspath_lines = "set ERICFMT=$GMSPATH/auxdata/ericfmt.dat\nset MCPPATH=$GMSPATH/auxdata/MCP\n"
try:
for line in fileinput.input(rungms, inplace=1, backup='.orig'):
line = re.sub(r"^(\s*set\s*TARGET)=.*",
r"\1=%s" % self.cfg['ddi_comm'], line)
line = re.sub(
r"^(\s*set\s*GMSPATH)=.*",
r"\1=%s\n%s" % (self.installdir, extra_gmspath_lines),
line)
line = re.sub(r"(null\) set VERNO)=.*",
r"\1=%s" % self.version, line)
line = re.sub(r"^(\s*set DDI_MPI_CHOICE)=.*",
r"\1=%s" % mpilib, line)
line = re.sub(
r"^(\s*set DDI_MPI_ROOT)=.*%s.*" % mpilib.lower(),
r"\1=%s" % mpilib_path, line)
line = re.sub(r"^(\s*set GA_MPI_ROOT)=.*%s.*" % mpilib.lower(),
r"\1=%s" % mpilib_path, line)
# comment out all adjustments to $LD_LIBRARY_PATH that involves hardcoded paths
line = re.sub(r"^(\s*)(setenv\s*LD_LIBRARY_PATH\s*/.*)",
r"\1#\2", line)
if self.cfg['scratch_dir']:
line = re.sub(r"^(\s*set\s*SCR)=.*",
r"\1=%s" % self.cfg['scratch_dir'], line)
line = re.sub(r"^(\s*set\s*USERSCR)=.*",
r"\1=%s" % self.cfg['scratch_dir'], line)
sys.stdout.write(line)
except IOError as err:
raise EasyBuildError("Failed to patch %s: %s", rungms, err)
def test_platform_name_linux(self):
"""Test getting platform name (mocked for Linux)."""
st.get_os_type = lambda: st.LINUX
self.assertTrue(re.match('.*-unknown-linux$', get_platform_name()))
self.assertTrue(re.match('.*-unknown-linux-gnu$', get_platform_name(withversion=True)))
def configure_step(self):
"""Configure GAMESS-US build via provided interactive 'config' script."""
# machine type
platform_name = get_platform_name()
x86_64_linux_re = re.compile('^x86_64-.*$')
if x86_64_linux_re.match(platform_name):
machinetype = "linux64"
else:
raise EasyBuildError("Build target %s currently unsupported", platform_name)
# compiler config
comp_fam = self.toolchain.comp_family()
fortran_comp, fortran_ver = None, None
if comp_fam == toolchain.INTELCOMP:
fortran_comp = 'ifort'
(out, _) = run_cmd("ifort -v", simple=False)
res = re.search(r"^ifort version ([0-9]+)\.[0-9.]+$", out)
if res:
fortran_ver = res.group(1)
else:
raise EasyBuildError("Failed to determine ifort major version number")
elif comp_fam == toolchain.GCC:
fortran_comp = 'gfortran'
fortran_ver = '.'.join(get_software_version('GCC').split('.')[:2])
else:
raise EasyBuildError("Compiler family '%s' currently unsupported.", comp_fam)
# math library config
known_mathlibs = ['imkl', 'OpenBLAS', 'ATLAS', 'ACML']
mathlib, mathlib_root = None, None
for mathlib in known_mathlibs:
mathlib_root = get_software_root(mathlib)
if mathlib_root is not None:
break
if mathlib_root is None:
raise EasyBuildError("None of the known math libraries (%s) available, giving up.", known_mathlibs)
if mathlib == 'imkl':
mathlib = 'mkl'
mathlib_root = os.path.join(mathlib_root, 'mkl')
else:
mathlib = mathlib.lower()
# verify selected DDI communication layer
known_ddi_comms = ['mpi', 'mixed', 'shmem', 'sockets']
if not self.cfg['ddi_comm'] in known_ddi_comms:
raise EasyBuildError("Unsupported DDI communication layer specified (known: %s): %s",
known_ddi_comms, self.cfg['ddi_comm'])
# MPI library config
mpilib, mpilib_root, mpilib_path = None, None, None
if self.cfg['ddi_comm'] == 'mpi':
known_mpilibs = ['impi', 'OpenMPI', 'MVAPICH2', 'MPICH2']
for mpilib in known_mpilibs:
mpilib_root = get_software_root(mpilib)
if mpilib_root is not None:
break
if mpilib_root is None:
raise EasyBuildError("None of the known MPI libraries (%s) available, giving up.", known_mpilibs)
mpilib_path = mpilib_root
if mpilib == 'impi':
mpilib_path = os.path.join(mpilib_root, 'intel64')
else:
mpilib = mpilib.lower()
# run interactive 'config' script to generate install.info file
cmd = "%(preconfigopts)s ./config %(configopts)s" % {
'preconfigopts': self.cfg['preconfigopts'],
'configopts': self.cfg['configopts'],
}
qa = {
"After the new window is open, please hit <return> to go on.": '',
"please enter your target machine name: ": machinetype,
"Version? [00] ": self.version,
"Please enter your choice of FORTRAN: ": fortran_comp,
"hit <return> to continue to the math library setup.": '',
"MKL pathname? ": mathlib_root,
"MKL version (or 'skip')? ": 'skip',
"please hit <return> to compile the GAMESS source code activator": '',
"please hit <return> to set up your network for Linux clusters.": '',
"communication library ('sockets' or 'mpi')? ": self.cfg['ddi_comm'],
"Enter MPI library (impi, mvapich2, mpt, sockets):": mpilib,
"Please enter your %s's location: " % mpilib: mpilib_root,
"Do you want to try LIBCCHEM? (yes/no): ": 'no',
"Enter full path to OpenBLAS libraries (without 'lib' subdirectory):": mathlib_root,
}
stdqa = {
r"GAMESS directory\? \[.*\] ": self.builddir,
r"GAMESS build directory\? \[.*\] ": self.installdir, # building in install directory
r"Enter only the main version number, such as .*\nVersion\? ": fortran_ver,
r"gfortran version.\nPlease enter only the first decimal place, such as .*:": fortran_ver,
"Enter your choice of 'mkl' or .* 'none': ": mathlib,
}
run_cmd_qa(cmd, qa=qa, std_qa=stdqa, log_all=True, simple=True)
self.log.debug("Contents of install.info:\n%s" % read_file(os.path.join(self.builddir, 'install.info')))
# patch hardcoded settings in rungms to use values specified in easyconfig file
rungms = os.path.join(self.builddir, 'rungms')
extra_gmspath_lines = "set ERICFMT=$GMSPATH/auxdata/ericfmt.dat\nset MCPPATH=$GMSPATH/auxdata/MCP\n"
try:
for line in fileinput.input(rungms, inplace=1, backup='.orig'):
line = re.sub(r"^(\s*set\s*TARGET)=.*", r"\1=%s" % self.cfg['ddi_comm'], line)
line = re.sub(r"^(\s*set\s*GMSPATH)=.*", r"\1=%s\n%s" % (self.installdir, extra_gmspath_lines), line)
line = re.sub(r"(null\) set VERNO)=.*", r"\1=%s" % self.version, line)
line = re.sub(r"^(\s*set DDI_MPI_CHOICE)=.*", r"\1=%s" % mpilib, line)
line = re.sub(r"^(\s*set DDI_MPI_ROOT)=.*%s.*" % mpilib.lower(), r"\1=%s" % mpilib_path, line)
line = re.sub(r"^(\s*set GA_MPI_ROOT)=.*%s.*" % mpilib.lower(), r"\1=%s" % mpilib_path, line)
# comment out all adjustments to $LD_LIBRARY_PATH that involves hardcoded paths
line = re.sub(r"^(\s*)(setenv\s*LD_LIBRARY_PATH\s*/.*)", r"\1#\2", line)
if self.cfg['scratch_dir']:
line = re.sub(r"^(\s*set\s*SCR)=.*", r"\1=%s" % self.cfg['scratch_dir'], line)
line = re.sub(r"^(\s*set\s*USERSCR)=.*", r"\1=%s" % self.cfg['scratch_dir'], line)
sys.stdout.write(line)
except IOError, err:
raise EasyBuildError("Failed to patch %s: %s", rungms, err)
def test_platform_name_darwin(self):
"""Test getting platform name (mocked for Darwin)."""
st.get_os_type = lambda: st.DARWIN
self.assertTrue(re.match('.*-apple-darwin$', get_platform_name()))
self.assertTrue(re.match('.*-apple-darwin.*$', get_platform_name(withversion=True)))
