Adding CP2K v.2.4.0 and CP2K with i-pi

easybuild/easyconfigs/c/CP2K/CP2K-2.4.0-goolf-1.4.10-ipi.eb

@@ -0,0 +1,37 @@
+name = 'CP2K'
+version = '2.4.0'
+versionsuffix = '-ipi'
+
+homepage = 'http://www.cp2k.org'
+description = """CP2K is a freely available (GPL) program, written in Fortran 95,
+  to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems.
+  It provides a general framework for different methods such as e.g. density functional theory (DFT)
+  using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials. """
+
+toolchain = {'name': 'goolf', 'version': '1.4.10'}
+
+source_urls = ['http://sourceforge.net/projects/cp2k/files/']
+
+sources = ['%s-%s.tar.bz2' % (name.lower(), version)]
+
+patches = [
+           'cp2k-2.4.0_ipi.patch',
+           'fix_compile_date_lastcvs.patch',
+           'do_regtest_nocompile.patch'
+          ]
+
+builddependencies = [
+                     ('flex', '2.5.35'),
+                     ('Bison', '2.5')
+                    ]
+
+dependencies = [('Libint', '1.1.4')]
+
+# don't use parallel make, results in compilation failure
+# because Fortran module files aren't created before they are needed
+parallel = 1
+
+# about 100 tests fail
+ignore_regtest_fails=True
+
+moduleclass = 'chem'

easybuild/easyconfigs/c/CP2K/CP2K-2.4.0-goolf-1.4.10.eb

@@ -0,0 +1,35 @@
+name = 'CP2K'
+version = '2.4.0'
+
+homepage = 'http://www.cp2k.org'
+description = """CP2K is a freely available (GPL) program, written in Fortran 95,
+  to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems.
+  It provides a general framework for different methods such as e.g. density functional theory (DFT)
+  using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials. """
+
+toolchain = {'name': 'goolf', 'version': '1.4.10'}
+
+source_urls = ['http://sourceforge.net/projects/cp2k/files/']
+
+sources = ['%s-%s.tar.bz2' % (name.lower(), version)]
+
+patches = [
+           'fix_compile_date_lastcvs.patch',
+           'do_regtest_nocompile.patch'
+          ]
+
+builddependencies = [
+                     ('flex', '2.5.35'),
+                     ('Bison', '2.5')
+                    ]
+
+dependencies = [('Libint', '1.1.4')]
+
+# don't use parallel make, results in compilation failure
+# because Fortran module files aren't created before they are needed
+parallel = 1
+
+# about 100 tests fail
+ignore_regtest_fails=True
+
+moduleclass = 'chem'