diff --git a/b/Boost/Boost-1.63.0-intel-2017a-Python-2.7.13.eb b/b/Boost/Boost-1.63.0-intel-2017a-Python-2.7.13.eb index c14cf5a2..06347752 100644 --- a/b/Boost/Boost-1.63.0-intel-2017a-Python-2.7.13.eb +++ b/b/Boost/Boost-1.63.0-intel-2017a-Python-2.7.13.eb @@ -19,8 +19,8 @@ dependencies = [ ('Python', pythonversion, '', True) ] -configopts = '--with-python=$EBROOTPYTHON/bin/python' -buildopts = '-fPIC &&' +configopts = '--with-python=$EBROOTPYTHON/bin/python ' +#buildopts = '-fPIC && ' # also build boost_mpi boost_mpi = True diff --git a/c/CP2K/CP2K-7.1-intel-2020a.eb b/c/CP2K/CP2K-7.1-intel-2020a.eb deleted file mode 100644 index 359efcef..00000000 --- a/c/CP2K/CP2K-7.1-intel-2020a.eb +++ /dev/null @@ -1,41 +0,0 @@ -# IT4Innovations 2020 - -name = 'CP2K' -version = '7.1' - -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': 'intel', 'version': '2020a'} -toolchainopts = {'pic': True} - -source_urls = ['https://github.com/cp2k/cp2k/releases/download/v%(version)s.0/'] -sources = [SOURCELOWER_TAR_BZ2] -#patches = [ -# 'CP2K-2.4.0-fix_compile_date_lastsvn.patch', -#] - -dependencies = [ - ('Libint', '1.1.6'), - ('libxc', '4.3.4'), - ('libxsmm', '1.8.3'), - ('FFTW', '3.3.8'), - ('PLUMED', '2.4.0'), -] - -builddependencies = [ - ('flex', '2.6.4', '', True), - ('Bison', '3.0.5', '', True), -] - -# values to use here are +1 those used for building Libint -# see https://github.com/cp2k/cp2k/blob/master/cp2k/tools/hfx_tools/libint_tools/README_LIBINT -extradflags = "-D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5" - -# regression test reports failures -ignore_regtest_fails = True - -moduleclass = 'chem' diff --git a/o/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-6.3.0-2.27.eb b/o/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-6.3.0-2.27.eb index 8488acb4..969bb61c 100644 --- a/o/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-6.3.0-2.27.eb +++ b/o/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-6.3.0-2.27.eb @@ -18,7 +18,7 @@ source_urls = [ dependencies = [ ('hwloc', '1.11.7', '', ('GCC', '6.3.0-2.27')), - ('Java', '1.8.0_112', '', True), +# ('Java', '1.8.0_112', '', True), ] configopts = '--with-threads=posix --enable-shared --enable-mpi-thread-multiple --with-verbs ' @@ -28,8 +28,8 @@ configopts += '--with-hwloc=$EBROOTHWLOC ' # hwloc support # statically link local_component, don't do dynamic loading # configopts += '--disable-dlopen ' # dont disable dlopen! # https://github.com/open-mpi/ompi/issues/3630 -configopts += '--with-tm=/opt/pbs/default ' # Enable PBS -configopts += '--enable-mpi-java ' # Java support RT#4090 +configopts += '--with-tm=/opt/pbs ' # Enable PBS +#configopts += '--enable-mpi-java ' # Java support RT#4090 # for PBS Pro 13 preconfigopts = 'export LIBS="-ldl" && ' diff --git a/p/Python/Python-2.7.11-intel-2017a.eb b/p/Python/Python-2.7.11-intel-2017a.eb index 070d4c11..38fbf8d1 100644 --- a/p/Python/Python-2.7.11-intel-2017a.eb +++ b/p/Python/Python-2.7.11-intel-2017a.eb @@ -83,12 +83,6 @@ exts_list = [ ('ecdsa', '0.13', { 'source_urls': ['https://pypi.python.org/packages/source/e/ecdsa/'], }), - ('cryptography', '1.4', { - 'source_urls': ['https://pypi.python.org/packages/source/c/cryptography/'], - }), - ('paramiko', '2.0.1', { - 'source_urls': ['https://pypi.python.org/packages/source/p/paramiko/'], - }), ('pyparsing', '2.1.5', { 'source_urls': ['https://pypi.python.org/packages/source/p/pyparsing/'], }), @@ -107,10 +101,6 @@ exts_list = [ ('pytz', '2016.4', { 'source_urls': ['https://pypi.python.org/packages/source/p/pytz'], }), - ('enum34', '1.1.6', { - 'modulename': 'enum', - 'source_urls': ['https://pypi.python.org/packages/source/e/enum34'], - }), ('bitstring', '3.1.5', { 'source_tmpl': '%(name)s-%(version)s.zip', 'source_urls': ['https://pypi.python.org/packages/source/b/bitstring'],