cp2k: update to 4.1 + update of dependencies (#3561)

* libint: updated version, ported to AutotoolsPackage

* elpa: updated version, ported to AutotoolsPackage

* wannier90: updated version, ported to MakefilePackage

* pexsi: updated version, ported to MakefilePackage

* cp2k: updated version, removed wannier 90 from dependencies if cp2k@4.1

* plumed: updated version

Modifications:

* modules has been turned into a single variant, as different versions
  have different modules available
* added dictionaries for patches

* netlib-scalapack: ported to CMakePackage
This commit is contained in:
Massimiliano Culpo
2017-03-30 16:46:05 +02:00
committed by Adam J. Stewart
parent 73f78cb8c4
commit f9c0348891
8 changed files with 160 additions and 122 deletions

View File

@@ -26,7 +26,7 @@
import sys
class NetlibScalapack(Package):
class NetlibScalapack(CMakePackage):
"""ScaLAPACK is a library of high-performance linear algebra routines for
parallel distributed memory machines
"""
@@ -60,12 +60,16 @@ class NetlibScalapack(Package):
@property
def scalapack_libs(self):
# Note that the default will be to search
# for 'libnetlib-scalapack.<suffix>'
shared = True if '+shared' in self.spec else False
return find_libraries(
'libscalapack', root=self.prefix, shared=shared, recurse=True
)
def install(self, spec, prefix):
def cmake_args(self):
spec = self.spec
options = [
"-DBUILD_SHARED_LIBS:BOOL=%s" % ('ON' if '+shared' in spec else
'OFF'),
@@ -89,13 +93,10 @@ def install(self, spec, prefix):
"-DCMAKE_Fortran_FLAGS=-fPIC"
])
options.extend(std_cmake_args)
with working_dir('spack-build', create=True):
cmake('..', *options)
make()
make("install")
return options
@run_after('install')
def fix_darwin_install(self):
# The shared libraries are not installed correctly on Darwin:
if (sys.platform == 'darwin') and ('+shared' in spec):
fix_darwin_install_name(prefix.lib)
if (sys.platform == 'darwin') and ('+shared' in self.spec):
fix_darwin_install_name(self.spec.prefix.lib)