From c2eeebc00d9a525b1649aa52163871e5dcc7b86c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Luk=C3=A1=C5=A1=20Krup=C4=8D=C3=ADk?= <lukas.krupcik@vsb.cz> Date: Fri, 5 Jan 2018 10:50:58 +0100 Subject: [PATCH] new file: a/ASE/ASE-3.15.0-Py-3.6.eb new file: b/BoltzTraP2/BoltzTraP2-18.1.1-Py-3.6.eb new file: c/click/click-6.7-Py-3.6.eb new file: c/cycler/cycler-0.10.0-Py-3.6.eb new file: f/Flask/Flask-0.12.2-Py-3.6.eb new file: i/icc/icc-2017.4.196-GCC-6.3.0-2.27.eb new file: i/iccifort/iccifort-2017.4.196-GCC-6.3.0-2.27.eb new file: i/ifort/ifort-2017.4.196-GCC-6.3.0-2.27.eb modified: i/iimpi/iimpi-2017b.eb new file: i/impi/impi-2017.3.196-iccifort-2017.4.196-GCC-6.3.0-2.27.eb modified: i/intel/intel-2017b.eb new file: i/itsdangerous/itsdangerous-0.24-Py-3.6.eb new file: j/Jinja2/Jinja2-2.10-Py-3.6.eb new file: m/MarkupSafe/MarkupSafe-1.0-Py-3.6.eb new file: m/matplotlib/matplotlib-2.1.1-Py-3.6.eb new file: n/numpy/numpy-1.13.3-Py-3.6.eb new file: p/Py/Py-2.7.eb new file: p/Py/Py-3.6.eb new file: p/Python/.Python-3.6.4-base.eb.swp new file: p/Python/Python-2.7.14-base.eb new file: p/Python/Python-3.6.4-base.eb new file: p/pyparsing/pyparsing-2.2.0-Py-3.6.eb new file: p/python-dateutil/python-dateutil-2.6.1-Py-3.6.eb new file: p/pytz/pytz-2017.3-Py-3.6.eb new file: s/scipy/scipy-1.0.0-Py-3.6.eb new file: s/six/six-1.11.0-Py-2.7.eb new file: s/six/six-1.11.0-Py-3.6.eb new file: s/spglib-python/spglib-python-1.10.2.4-Py-3.6.eb new file: w/Werkzeug/Werkzeug-0.14.1-Py-3.6.eb deleted: a/ASE/ASE-3.15.0-Python-3.6.2-base.eb deleted: i/impi/impi-2017.3.196-iccifort-2017.4.196-GCC-6.4.0-2.28.eb deleted: m/matplotlib/matplotlib-2.1.1-Python-3.6.2-base.eb deleted: n/numpy/numpy-1.13.3-Python-3.6.2-base.eb deleted: p/pyparsing/pyparsing-2.2.0-Python-3.6.2-base.eb deleted: p/python-dateutil/python-dateutil-2.6.1-Python-3.6.2-base.eb deleted: s/scipy/scipy-1.0.0-Python-3.6.2-base.eb deleted: s/six/six-1.11.0-Python-3.6.2-base.eb --- ...hon-3.6.2-base.eb => ASE-3.15.0-Py-3.6.eb} | 15 +++--- b/BoltzTraP2/BoltzTraP2-18.1.1-Py-3.6.eb | 37 ++++++++++++++ c/click/click-6.7-Py-3.6.eb | 20 ++++++++ c/cycler/cycler-0.10.0-Py-3.6.eb | 24 +++++++++ f/Flask/Flask-0.12.2-Py-3.6.eb | 28 ++++++++++ i/icc/icc-2017.4.196-GCC-6.3.0-2.27.eb | 31 +++++++++++ .../iccifort-2017.4.196-GCC-6.3.0-2.27.eb | 17 +++++++ i/ifort/ifort-2017.4.196-GCC-6.3.0-2.27.eb | 34 +++++++++++++ i/iimpi/iimpi-2017b.eb | 2 +- ...196-iccifort-2017.4.196-GCC-6.3.0-2.27.eb} | 4 +- i/intel/intel-2017b.eb | 4 +- i/itsdangerous/itsdangerous-0.24-Py-3.6.eb | 20 ++++++++ j/Jinja2/Jinja2-2.10-Py-3.6.eb | 24 +++++++++ m/MarkupSafe/MarkupSafe-1.0-Py-3.6.eb | 20 ++++++++ ...6.2-base.eb => matplotlib-2.1.1-Py-3.6.eb} | 18 +++---- ...n-3.6.2-base.eb => numpy-1.13.3-Py-3.6.eb} | 14 ++--- p/Py/Py-2.7.eb | 17 +++++++ p/Py/Py-3.6.eb | 17 +++++++ p/Python/.Python-3.6.4-base.eb.swp | Bin 0 -> 12288 bytes p/Python/Python-2.7.14-base.eb | 43 ++++++++++++++++ p/Python/Python-3.6.4-base.eb | 48 ++++++++++++++++++ ....6.2-base.eb => pyparsing-2.2.0-Py-3.6.eb} | 11 ++-- ...ase.eb => python-dateutil-2.6.1-Py-3.6.eb} | 10 ++-- p/pytz/pytz-2017.3-Py-3.6.eb | 21 ++++++++ ...on-3.6.2-base.eb => scipy-1.0.0-Py-3.6.eb} | 16 +++--- s/six/six-1.11.0-Py-2.7.eb | 20 ++++++++ ...hon-3.6.2-base.eb => six-1.11.0-Py-3.6.eb} | 9 +--- .../spglib-python-1.10.2.4-Py-3.6.eb | 22 ++++++++ w/Werkzeug/Werkzeug-0.14.1-Py-3.6.eb | 25 +++++++++ 29 files changed, 509 insertions(+), 62 deletions(-) rename a/ASE/{ASE-3.15.0-Python-3.6.2-base.eb => ASE-3.15.0-Py-3.6.eb} (63%) create mode 100644 b/BoltzTraP2/BoltzTraP2-18.1.1-Py-3.6.eb create mode 100644 c/click/click-6.7-Py-3.6.eb create mode 100644 c/cycler/cycler-0.10.0-Py-3.6.eb create mode 100644 f/Flask/Flask-0.12.2-Py-3.6.eb create mode 100644 i/icc/icc-2017.4.196-GCC-6.3.0-2.27.eb create mode 100644 i/iccifort/iccifort-2017.4.196-GCC-6.3.0-2.27.eb create mode 100644 i/ifort/ifort-2017.4.196-GCC-6.3.0-2.27.eb rename i/impi/{impi-2017.3.196-iccifort-2017.4.196-GCC-6.4.0-2.28.eb => impi-2017.3.196-iccifort-2017.4.196-GCC-6.3.0-2.27.eb} (90%) create mode 100644 i/itsdangerous/itsdangerous-0.24-Py-3.6.eb create mode 100644 j/Jinja2/Jinja2-2.10-Py-3.6.eb create mode 100644 m/MarkupSafe/MarkupSafe-1.0-Py-3.6.eb rename m/matplotlib/{matplotlib-2.1.1-Python-3.6.2-base.eb => matplotlib-2.1.1-Py-3.6.eb} (66%) rename n/numpy/{numpy-1.13.3-Python-3.6.2-base.eb => numpy-1.13.3-Py-3.6.eb} (62%) create mode 100644 p/Py/Py-2.7.eb create mode 100644 p/Py/Py-3.6.eb create mode 100644 p/Python/.Python-3.6.4-base.eb.swp create mode 100644 p/Python/Python-2.7.14-base.eb create mode 100644 p/Python/Python-3.6.4-base.eb rename p/pyparsing/{pyparsing-2.2.0-Python-3.6.2-base.eb => pyparsing-2.2.0-Py-3.6.eb} (60%) rename p/python-dateutil/{python-dateutil-2.6.1-Python-3.6.2-base.eb => python-dateutil-2.6.1-Py-3.6.eb} (72%) create mode 100644 p/pytz/pytz-2017.3-Py-3.6.eb rename s/scipy/{scipy-1.0.0-Python-3.6.2-base.eb => scipy-1.0.0-Py-3.6.eb} (64%) create mode 100644 s/six/six-1.11.0-Py-2.7.eb rename s/six/{six-1.11.0-Python-3.6.2-base.eb => six-1.11.0-Py-3.6.eb} (71%) create mode 100644 s/spglib-python/spglib-python-1.10.2.4-Py-3.6.eb create mode 100644 w/Werkzeug/Werkzeug-0.14.1-Py-3.6.eb diff --git a/a/ASE/ASE-3.15.0-Python-3.6.2-base.eb b/a/ASE/ASE-3.15.0-Py-3.6.eb similarity index 63% rename from a/ASE/ASE-3.15.0-Python-3.6.2-base.eb rename to a/ASE/ASE-3.15.0-Py-3.6.eb index e5a57c9d3..37e38f7bd 100644 --- a/a/ASE/ASE-3.15.0-Python-3.6.2-base.eb +++ b/a/ASE/ASE-3.15.0-Py-3.6.eb @@ -4,28 +4,27 @@ easyblock = 'PythonPackage' name = 'ASE' version = '3.15.0' -versionsuffix = '-Python-%(pyver)s-base' homepage = 'https://wiki.fysik.dtu.dk/ase/' description = """ASE is a python package providing an open source Atomic Simulation Environment in the Python scripting language.""" -toolchain = {'name': 'dummy', 'version': ''} +toolchain = {'name': 'Py', 'version': '3.6'} source_urls = [PYPI_LOWER_SOURCE] sources = [SOURCELOWER_TAR_GZ] checksums = ['5e22d961b1311ef4ba2d83527f7cc7448abac8cf9bddd1593bee548459263fe8'] dependencies = [ - ('Python', '2.6.2', '-base'), - ('numpy', '1.13.3', versionsuffix), - ('scipy', '1.0.0', versionsuffix), - ('matplotlib', '2.1.1', versionsuffix), + ('numpy', '1.13.3'), + ('scipy', '1.0.0'), + ('matplotlib', '2.1.1'), + ('click', '6.7'), ] sanity_check_paths = { 'files': ['bin/ase-build', 'bin/ase-db', 'bin/ase-gui', 'bin/ase-info', 'bin/ase-run'], - 'dirs': ['lib/python%(pyshortver)s/site-packages'], + 'dirs': ['lib/python3.6/site-packages'], } -moduleclass = 'chem' +moduleclass = 'python' diff --git a/b/BoltzTraP2/BoltzTraP2-18.1.1-Py-3.6.eb b/b/BoltzTraP2/BoltzTraP2-18.1.1-Py-3.6.eb new file mode 100644 index 000000000..d372b1897 --- /dev/null +++ b/b/BoltzTraP2/BoltzTraP2-18.1.1-Py-3.6.eb @@ -0,0 +1,37 @@ +# IT4Innovations 2018 + +easyblock = "PythonPackage" +name = 'BoltzTraP2' +version = '18.1.1' + +homepage = 'https://www.imc.tuwien.ac.at/index.php?id=21094' +description = """BoltzTraP2 is a modern implementation of the smoothed Fourier + interpolation algorithm for electronic bands that formed the base of the original + and widely used BoltzTraP code.""" + +toolchain = {'name': 'Py', 'version': '3.6'} + +source_urls = ['https://pypi.python.org/packages/1f/03/9a93c7cbaead26dd82c3598696d57a590bc435e619e364fa71eaa0437aa5'] +sources = ['BoltzTraP2-%(version)s.tar.gz'] + +dependencies = [ + ('numpy', '1.13.3'), + ('scipy', '1.0.0'), + ('matplotlib', '2.1.1'), + ('spglib-python', '1.10.2.4'), + ('ASE', '3.15.0'), +] + +builddependencies = [ + ('GCC', '6.3.0-2.27', '', True), + ('CMake', '3.9.1', '', True), +] + +options = {'modulename': 'BoltzTraP2'} + +sanity_check_paths = { + 'files': [], + 'dirs': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6-linux-x86_64.egg/%(name)s'], +} + +moduleclass = 'python' diff --git a/c/click/click-6.7-Py-3.6.eb b/c/click/click-6.7-Py-3.6.eb new file mode 100644 index 000000000..4af8c19eb --- /dev/null +++ b/c/click/click-6.7-Py-3.6.eb @@ -0,0 +1,20 @@ +# IT4Innovations 2018 + +easyblock = "PythonPackage" +name = 'click' +version = '6.7' + +homepage = 'https://pypi.python.org/pypi/click' +description = 'A simple wrapper around optparse for powerful command line utilities.' + +toolchain = {'name': 'Py', 'version': '3.6'} + +source_urls = [PYPI_SOURCE] +sources = [SOURCE_TAR_GZ] + +sanity_check_paths = { + 'files': [], + 'dirs': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'], +} + +moduleclass = 'python' diff --git a/c/cycler/cycler-0.10.0-Py-3.6.eb b/c/cycler/cycler-0.10.0-Py-3.6.eb new file mode 100644 index 000000000..b3d0fe728 --- /dev/null +++ b/c/cycler/cycler-0.10.0-Py-3.6.eb @@ -0,0 +1,24 @@ +# IT4Innovations 2018 + +easyblock = "PythonPackage" +name = 'cycler' +version = '0.10.0' + +homepage = 'https://matplotlib.org/cycler' +description = 'Composable style cycles.' + +toolchain = {'name': 'Py', 'version': '3.6'} + +source_urls = ['https://github.com/matplotlib/cycler/archive'] +sources = ['v%(version)s.tar.gz'] + +dependencies = [ + ('six', '1.11.0'), +] + +sanity_check_paths = { + 'files': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'], + 'dirs': [], +} + +moduleclass = 'python' diff --git a/f/Flask/Flask-0.12.2-Py-3.6.eb b/f/Flask/Flask-0.12.2-Py-3.6.eb new file mode 100644 index 000000000..7f43be979 --- /dev/null +++ b/f/Flask/Flask-0.12.2-Py-3.6.eb @@ -0,0 +1,28 @@ +# IT4Innovations 2018 + +easyblock = "PythonPackage" +name = 'Flask' +version = '0.12.2' + +homepage = 'https://pypi.python.org/pypi/flask' +description = 'A microframework based on Werkzeug, Jinja2 and good intentions.' + +toolchain = {'name': 'Py', 'version': '3.6'} + +source_urls = [PYPI_SOURCE] +sources = [SOURCE_TAR_GZ] + +dependencies = [ + ('click', '6.7'), + ('Jinja2', '2.10'), + ('MarkupSafe', '1.0'), + ('itsdangerous', '0.24'), + ('Werkzeug', '0.14.1'), +] + +sanity_check_paths = { + 'files': [], + 'dirs': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'], +} + +moduleclass = 'python' diff --git a/i/icc/icc-2017.4.196-GCC-6.3.0-2.27.eb b/i/icc/icc-2017.4.196-GCC-6.3.0-2.27.eb new file mode 100644 index 000000000..c19dd676d --- /dev/null +++ b/i/icc/icc-2017.4.196-GCC-6.3.0-2.27.eb @@ -0,0 +1,31 @@ +name = 'icc' +version = '2017.4.196' + +homepage = 'http://software.intel.com/en-us/intel-compilers/' +description = "Intel C and C++ compilers" + +toolchain = {'name': 'dummy', 'version': ''} + +sources = ['parallel_studio_xe_%(version_major)s_update%(version_minor)s_composer_edition_for_cpp.tgz'] + +checksums = ['6b9b57dada0ec68e394866ec0a8b162c9233de18a7a6dd2dcc956d335e06acbc'] + +gccver = '6.3.0' +binutilsver = '2.27' +versionsuffix = '-GCC-%s-%s' % (gccver, binutilsver) + +dependencies = [ + ('GCCcore', gccver), + ('binutils', binutilsver, '', ('GCCcore', gccver)), +] + +# list of regex for components to install +# full list of components can be obtained from pset/mediaconfig.xml in unpacked sources +# cfr. https://software.intel.com/en-us/articles/intel-composer-xe-2015-silent-installation-guide +components = ['intel-comp', 'intel-ccomp', 'intel-icc', 'intel-openmp', 'intel-ipsc?_', 'intel-gdb', 'intel-gdb(?!.*mic)'] + +dontcreateinstalldir = 'True' + +license_file = '/apps/licenses/intel/license.lic' + +moduleclass = 'compiler' diff --git a/i/iccifort/iccifort-2017.4.196-GCC-6.3.0-2.27.eb b/i/iccifort/iccifort-2017.4.196-GCC-6.3.0-2.27.eb new file mode 100644 index 000000000..68cd0eb72 --- /dev/null +++ b/i/iccifort/iccifort-2017.4.196-GCC-6.3.0-2.27.eb @@ -0,0 +1,17 @@ +easyblock = 'Toolchain' + +name = 'iccifort' +version = '2017.4.196' +versionsuffix = '-GCC-6.3.0-2.27' + +homepage = 'http://software.intel.com/en-us/intel-cluster-toolkit-compiler/' +description = "Intel C, C++ & Fortran compilers" + +toolchain = {'name': 'dummy', 'version': ''} + +dependencies = [ + ('icc', version, versionsuffix), + ('ifort', version, versionsuffix), +] + +moduleclass = 'toolchain' diff --git a/i/ifort/ifort-2017.4.196-GCC-6.3.0-2.27.eb b/i/ifort/ifort-2017.4.196-GCC-6.3.0-2.27.eb new file mode 100644 index 000000000..5f8eab472 --- /dev/null +++ b/i/ifort/ifort-2017.4.196-GCC-6.3.0-2.27.eb @@ -0,0 +1,34 @@ +name = 'ifort' +version = '2017.4.196' + +homepage = 'http://software.intel.com/en-us/intel-compilers/' +description = "Intel Fortran compiler" + +toolchain = {'name': 'dummy', 'version': ''} + +sources = ['parallel_studio_xe_%(version_major)s_update%(version_minor)s_composer_edition_for_fortran.tgz'] + +checksums = ['0b6a222e015f776600b12b17c19506249c9e7691a8d287f44cd40a66ca9ac749'] + +# remove dependency on intel-mpi-rt-mic +patches = ['ifort_2017_no_mpi_mic_dependency.patch'] + +gccver = '6.3.0' +binutilsver = '2.27' +versionsuffix = '-GCC-%s-%s' % (gccver, binutilsver) + +dependencies = [ + ('GCCcore', gccver), + ('binutils', binutilsver, '', ('GCCcore', gccver)), +] + +# list of regex for components to install +# full list of components can be obtained from pset/mediaconfig.xml in unpacked sources +# cfr. https://software.intel.com/en-us/articles/intel-composer-xe-2015-silent-installation-guide +components = ['intel-comp', 'intel-fcomp', 'intel-ifort', 'intel-openmp', 'intel-ipsf?_', 'intel-gdb'] + +dontcreateinstalldir = 'True' + +license_file = '/apps/licenses/intel/license.lic' + +moduleclass = 'compiler' diff --git a/i/iimpi/iimpi-2017b.eb b/i/iimpi/iimpi-2017b.eb index d7364801f..fc556c6a5 100644 --- a/i/iimpi/iimpi-2017b.eb +++ b/i/iimpi/iimpi-2017b.eb @@ -9,7 +9,7 @@ description = """Intel C/C++ and Fortran compilers, alongside Intel MPI.""" toolchain = {'name': 'dummy', 'version': ''} compver = '2017.4.196' -suff = '-GCC-6.4.0-2.28' +suff = '-GCC-6.3.0-2.27' dependencies = [ ('icc', compver, suff), ('ifort', compver, suff), diff --git a/i/impi/impi-2017.3.196-iccifort-2017.4.196-GCC-6.4.0-2.28.eb b/i/impi/impi-2017.3.196-iccifort-2017.4.196-GCC-6.3.0-2.27.eb similarity index 90% rename from i/impi/impi-2017.3.196-iccifort-2017.4.196-GCC-6.4.0-2.28.eb rename to i/impi/impi-2017.3.196-iccifort-2017.4.196-GCC-6.3.0-2.27.eb index 1868e287a..e010a5a58 100644 --- a/i/impi/impi-2017.3.196-iccifort-2017.4.196-GCC-6.4.0-2.28.eb +++ b/i/impi/impi-2017.3.196-iccifort-2017.4.196-GCC-6.3.0-2.27.eb @@ -4,7 +4,7 @@ version = '2017.3.196' homepage = 'http://software.intel.com/en-us/intel-mpi-library/' description = "Intel MPI Library, compatible with MPICH ABI" -toolchain = {'name': 'iccifort', 'version': '2017.4.196-GCC-6.4.0-2.28'} +toolchain = {'name': 'iccifort', 'version': '2017.4.196-GCC-6.3.0-2.27'} sources = ['l_mpi_%(version)s.tgz'] @@ -15,7 +15,7 @@ dontcreateinstalldir = 'True' components = ['intel-mpi', 'intel-psxe', 'intel-imb'] # set up all the mpi commands to default to intel compilers -# set_mpi_wrappers_all = 'True' +set_mpi_wrappers_all = 'True' postinstallcmds = [ 'ln -s %(installdir)s/lib64/libmpi.so %(installdir)s/lib64/libmpich.so', diff --git a/i/intel/intel-2017b.eb b/i/intel/intel-2017b.eb index 1fef7fe16..7f8542025 100644 --- a/i/intel/intel-2017b.eb +++ b/i/intel/intel-2017b.eb @@ -9,8 +9,8 @@ description = "Compiler toolchain including Intel compilers, Intel MPI and Intel toolchain = {'name': 'dummy', 'version': ''} compver = '2017.4.196' -gccver = '6.4.0' -binutilsver = '2.28' +gccver = '6.3.0' +binutilsver = '2.27' gccsuff = '-GCC-%s-%s' % (gccver, binutilsver) dependencies = [ ('GCCcore', gccver), diff --git a/i/itsdangerous/itsdangerous-0.24-Py-3.6.eb b/i/itsdangerous/itsdangerous-0.24-Py-3.6.eb new file mode 100644 index 000000000..19b96059c --- /dev/null +++ b/i/itsdangerous/itsdangerous-0.24-Py-3.6.eb @@ -0,0 +1,20 @@ +# IT4Innovations 2018 + +easyblock = "PythonPackage" +name = 'itsdangerous' +version = '0.24' + +homepage = 'https://pypi.python.org/pypi/itsdangerous' +description = 'Various helpers to pass trusted data to untrusted environments and back.' + +toolchain = {'name': 'Py', 'version': '3.6'} + +source_urls = [PYPI_SOURCE] +sources = [SOURCE_TAR_GZ] + +sanity_check_paths = { + 'files': [], + 'dirs': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'], +} + +moduleclass = 'python' diff --git a/j/Jinja2/Jinja2-2.10-Py-3.6.eb b/j/Jinja2/Jinja2-2.10-Py-3.6.eb new file mode 100644 index 000000000..80daef803 --- /dev/null +++ b/j/Jinja2/Jinja2-2.10-Py-3.6.eb @@ -0,0 +1,24 @@ +# IT4Innovations 2018 + +easyblock = "PythonPackage" +name = 'Jinja2' +version = '2.10' + +homepage = 'https://pypi.python.org/pypi/jinja' +description = 'A small but fast and easy to use stand-alone template engine written in pure python.' + +toolchain = {'name': 'Py', 'version': '3.6'} + +source_urls = [PYPI_SOURCE] +sources = [SOURCE_TAR_GZ] + +dependencies = [ + ('MarkupSafe', '1.0'), +] + +sanity_check_paths = { + 'files': [], + 'dirs': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'], +} + +moduleclass = 'python' diff --git a/m/MarkupSafe/MarkupSafe-1.0-Py-3.6.eb b/m/MarkupSafe/MarkupSafe-1.0-Py-3.6.eb new file mode 100644 index 000000000..bb137cd8b --- /dev/null +++ b/m/MarkupSafe/MarkupSafe-1.0-Py-3.6.eb @@ -0,0 +1,20 @@ +# IT4Innovations 2018 + +easyblock = "PythonPackage" +name = 'MarkupSafe' +version = '1.0' + +homepage = 'https://pypi.python.org/pypi/markupsafe' +description = 'Implements a XML/HTML/XHTML Markup safe string for Python.' + +toolchain = {'name': 'Py', 'version': '3.6'} + +source_urls = [PYPI_SOURCE] +sources = [SOURCE_TAR_GZ] + +sanity_check_paths = { + 'files': [], + 'dirs': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6-linux-x86_64.egg'], +} + +moduleclass = 'python' diff --git a/m/matplotlib/matplotlib-2.1.1-Python-3.6.2-base.eb b/m/matplotlib/matplotlib-2.1.1-Py-3.6.eb similarity index 66% rename from m/matplotlib/matplotlib-2.1.1-Python-3.6.2-base.eb rename to m/matplotlib/matplotlib-2.1.1-Py-3.6.eb index d417059cc..39dc66a27 100644 --- a/m/matplotlib/matplotlib-2.1.1-Python-3.6.2-base.eb +++ b/m/matplotlib/matplotlib-2.1.1-Py-3.6.eb @@ -3,26 +3,24 @@ easyblock = "PythonPackage" name = 'matplotlib' version = '2.1.1' -versionsuffix = "-Python-%(pyver)s-base" homepage = 'http://matplotlib.org' description = """Matplotlib is a python 2D plotting library which produces publication quality figures in a variety of hardcopy formats and interactive environments across platforms. matplotlib can be used in python scripts, the python and ipython shell, web application servers, and six graphical user interface toolkits.""" -toolchain = {'name': 'dummy', 'version': ''} +toolchain = {'name': 'Py', 'version': '3.6'} source_urls = ['https://github.com/matplotlib/matplotlib/archive/'] sources = ['v%(version)s.tar.gz'] dependencies = [ - ('Python', '3.6.2', '-base'), - ('freetype', '2.8'), - ('libpng', '1.6.29'), - ('python-dateutil', '2.6.1', versionsuffix), - ('numpy', '1.13.3', versionsuffix), - ('pyparsing', '2.2.0', versionsuffix), - ('six', '1.11.0', versionsuffix), + ('freetype', '2.8', '', True), + ('libpng', '1.6.29', '', True), + ('python-dateutil', '2.6.1'), + ('numpy', '1.13.3'), + ('pyparsing', '2.2.0'), + ('six', '1.11.0'), ] sanity_check_paths = { @@ -30,4 +28,4 @@ sanity_check_paths = { 'dirs': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6-linux-x86_64.egg/%(name)s'], } -moduleclass = 'vis' +moduleclass = 'python' diff --git a/n/numpy/numpy-1.13.3-Python-3.6.2-base.eb b/n/numpy/numpy-1.13.3-Py-3.6.eb similarity index 62% rename from n/numpy/numpy-1.13.3-Python-3.6.2-base.eb rename to n/numpy/numpy-1.13.3-Py-3.6.eb index 677ac6d7b..d920c30a1 100644 --- a/n/numpy/numpy-1.13.3-Python-3.6.2-base.eb +++ b/n/numpy/numpy-1.13.3-Py-3.6.eb @@ -4,28 +4,20 @@ easyblock = 'PythonPackage' name = 'numpy' version = '1.13.3' -versionsuffix = '-Python-%(pyver)s-base' homepage = 'http://www.numpy.org' description = """NumPy is the fundamental package needed for scientific computing with Python.""" -toolchain = {'name': 'dummy', 'version': ''} +toolchain = {'name': 'Py', 'version': '3.6'} source_urls = ['https://github.com/numpy/numpy/releases/download/v%(version)s'] sources = ['%(name)s-%(version)s.tar.gz'] -dependencies = [ - ('Python', '3.6.2', '-base'), -] - -#use_pip = True -#unpack_sources = False - sanity_check_paths = { 'files': [], - 'dirs': ['lib/python%(pyshortver)s/site-packages/numpy-1.13.3-py3.6-linux-x86_64.egg/numpy'], + 'dirs': ['lib/python3.6/site-packages/numpy-%(version)s-py3.6-linux-x86_64.egg/numpy'], } sanity_check_commands = [('python', '-c "import numpy; assert(numpy.__version__ == \'%(version)s\')"')] -moduleclass = 'math' +moduleclass = 'python' diff --git a/p/Py/Py-2.7.eb b/p/Py/Py-2.7.eb new file mode 100644 index 000000000..4b51a758f --- /dev/null +++ b/p/Py/Py-2.7.eb @@ -0,0 +1,17 @@ +# IT4Innovations 2018 + +easyblock = "Toolchain" + +name = 'Py' +version = '2.7' + +homepage = 'https://www.python.org' +description = """Python 2.7 toolchain""" + +toolchain = {'name': 'dummy', 'version': 'dummy'} + +dependencies = [ + ('Python', '2.7.14', '-base'), +] + +moduleclass = 'toolchain' diff --git a/p/Py/Py-3.6.eb b/p/Py/Py-3.6.eb new file mode 100644 index 000000000..0576a0f85 --- /dev/null +++ b/p/Py/Py-3.6.eb @@ -0,0 +1,17 @@ +# IT4Innovations 2018 + +easyblock = "Toolchain" + +name = 'Py' +version = '3.6' + +homepage = 'https://www.python.org' +description = """Python 3.6 toolchain""" + +toolchain = {'name': 'dummy', 'version': 'dummy'} + +dependencies = [ + ('Python', '3.6.4', '-base'), +] + +moduleclass = 'toolchain' diff --git a/p/Python/.Python-3.6.4-base.eb.swp b/p/Python/.Python-3.6.4-base.eb.swp new file mode 100644 index 0000000000000000000000000000000000000000..526641d4a35e9714a8081d4910c6e40f6fed7671 GIT binary patch literal 12288 zcmYc?2=nw+FxN9-U|?VnU|`6&?;Ex9=at0EmJAH3iN%#krI|S?AUQm^xTwq!k2G9L zKe3>oSRZaGn3bHLmzJ4cteaV4lBr*yA5dA6k)H>pbdB}Q^h|V<5{pyyQj_4uj50<; zU^E2C3ISdQV<STYkXB_SMFnA@P!MwzkA}c#2#kinXb6mkz-S1JhQMeDjE2By2#k;r zC@ElMsAphcV1oJ=+&N%iU|@vuVKkIGN{xoVXb6mkz-S1JhQMeDjE2By2#kinXb6mk zz-S1JhQMeD48agcOkrS{%E`b`$OW1IhxPwo@iQ>I<Y!>G$<M%WoS%VVJwF4(I(`O* zK7IxU0e%JsetrgqM|=zn%lH@=mhv$$#PKmOxbrbExbZPCNboT*u=6o6yys<LxXjDI zu#=a8VF@n-Lmw{#LnSW*Ln1E&gC{Qo!v!7&hABJ@43l^m7$)*CFvRgNFvRjOFu3zD zFv#&RFbME4Fnr`@V3^O%z%ZSgfuVt$fx(oUfkBs>fkBj;f#D<<1H(Zs28R7y3=I3Y z7#P~Q7#P~PAbu$T`DX~m$EcG>Ltr!nMnhmU1V%$(Gz3ONVAzE~ZhlH>PHJ*aVsWv8 zt%7<^VqUsB1A}sIeo9VhVp@KFNoo;DJTWCDzMv?-AhoEZQbVb@B(Wq_Nk=KQq9C;> zGdDG_Br!)xQ=Ne!mO(*5L7`St2TX(5>c#n`Mail0rA0Z#>Q)NT>KP>^1;tkS`URB* znR*4_^`(0GMd|tliOJcC>8Zu~5Dofy`g!@qsru@%5VJJYL0okm1$9F`V?A?q9ffMJ z9aOQaK))cf0LiL?%mR>27J3GHM%1;bSid;6q_m(UKR>4!$wGu6$X+7@JwrW1u*Inr zCB^YMnZ+dvwhGY<$_mg>QYcF;D$dN$D^@5iNJ%V7O;K=5O;Rv2Ey++YGB7k_P*%t< zN=YqJ$ShXK%q_?-DoM;MQDk7qFHT7<NX<)0%}dTq1;ux?hI)QMYF=@1j&4e7S!xc* z_MFTlC|_MO78Iq*3JMB&naQaNCHV>&iDjt@iFpd81t1>CY6YkP3TgR83dO0(rA3(~ zl?p|viN*PO#S9?58tVQ9sd>S{J|NQ#^$he33)MAs6cm&d{DT$X4ysfr&d4v#Nl{2j zRVXM*O-n5*N=;G7Oj9VyNL9!$hWQxerQH0YRE46{<kY+pkZhhpNk%4IfsR6EiFz?O zZD^?HC6^Wzrxt@OHq$duho(yn^{SlAB#@w?o{^rRAwoPN3M6W(XQXG05Ontq0EwFE z8R{7!L_@Mcf);vadS(d0;6R_ul2nj{v7VthvW+>JNkyrNDLI*WU}+S&q^isUP&!iw z1rFFWc&I?52^90-tfG*YnwnCq0M-GD0q}ZoP#`EIRT;rj2Ll5n4}oJi*grJL*)=}I zJt`I|49<(7^aRd}R{Hwo<>kmZF|DLPUsWS7F*h|QzdW@_vshnM1Df76L5Y@u0hD}` zGZHiN@(W5pmQ<@3WG1UyDTEZ2rs^oD=NFWqa1x7>GoS*s2)zon3f1Z$Thy%-)Kf}x zb1OmN2DJzzre4dykdj)QT$EW*l9`{UV5^`6S&t4%1BnU+MfvGPiMhF%dFcwEVyiSU zJyoG3Be6swC$*$lp)$Wzp*+7RTLGL}3QIGSvvVpH67y0NGV@AO(~A;IQbB5p6pAa0 zOHy--A?i}o(o&O4GRsnPD)p2YGV*g%3qZ!&D!{@Dsl-xeV1T-|xHK&-vjS93f>+0@ o!^A-%;6?N53?Pq!xDX$JidY5D5EIY5y!^66knf5?8P|dV0K<6s=Kufz literal 0 HcmV?d00001 diff --git a/p/Python/Python-2.7.14-base.eb b/p/Python/Python-2.7.14-base.eb new file mode 100644 index 000000000..c9465e770 --- /dev/null +++ b/p/Python/Python-2.7.14-base.eb @@ -0,0 +1,43 @@ +# IT4Innovations 2018 + +easyblock = "EB_Python" +name = 'Python' +version = '2.7.14' +versionsuffix = '-base' + +homepage = 'http://python.org/' +description = "Python is a programming language that lets you work more quickly and integrate your systems more effectively." + +toolchain = {'name': 'dummy', 'version': ''} +toolchainopts = {'pic': True, 'opt': True, 'optarch': True} + +source_urls = ['http://www.python.org/ftp/%(namelower)s/%(version)s/'] +sources = [SOURCE_TGZ] + +dependencies = [ + ('bzip2', '1.0.6'), + ('zlib', '1.2.11'), + ('libreadline', '7.0'), + ('ncurses', '6.0'), + ('SQLite', '3.17.0'), + ('Tk', '8.6.6'), +] + +osdependencies = [('openssl-devel', 'libssl-dev', 'libopenssl-devel')] + +#buildopts = 'CPPFLAGS="-I/apps/all/bzip2/1.0.6/include -I/apps/all/zlib/1.2.8/include -I/apps/all/ncurses/5.9/include -I/apps/all/SQLite/3.8.8.1/include" LDFLAGS="-L/apps/all/bzip2/1.0.6/lib -L/apps/all/zlib/1.2.8/lib -L/apps/all/ncurses/5.9/lib -L/apps/all/SQLite/3.8.8.1/lib:$CPPFLAGS"' + +exts_list = [ + ('setuptools', '36.0.1', { + 'source_urls': ['https://pypi.python.org/packages/source/s/setuptools/'], + 'source_tmpl': '%(name)s-%(version)s.zip', + }), + ('pip', '9.0.1', { + 'source_urls': ['http://pypi.python.org/packages/source/p/pip/'], + }), + ('nose', '1.3.7', { + 'source_urls': ['http://pypi.python.org/packages/source/n/nose/'], + }), +] + +moduleclass = 'lang' diff --git a/p/Python/Python-3.6.4-base.eb b/p/Python/Python-3.6.4-base.eb new file mode 100644 index 000000000..503deb16a --- /dev/null +++ b/p/Python/Python-3.6.4-base.eb @@ -0,0 +1,48 @@ +# IT4Innovations 2018 + +name = 'Python' +version = '3.6.4' +versionsuffix = '-base' + +homepage = 'http://python.org/' +description = "Python is a programming language that lets you work more quickly and integrate your systems more effectively." + +toolchain = {'name': 'dummy', 'version': ''} +toolchainopts = {'pic': True, 'opt': True, 'optarch': True} + +source_urls = ['http://www.python.org/ftp/%(namelower)s/%(version)s/'] +sources = [SOURCE_TGZ] + +# python needs bzip2 to build the bz2 package +dependencies = [ + ('bzip2', '1.0.6'), + ('libreadline', '7.0'), + ('SQLite', '3.17.0'), + ('Tk', '8.6.6'), + ('GMP', '6.1.2'), + ('XZ', '5.2.3'), + ('zlib', '1.2.11'), + ('ncurses', '6.0'), +# ('OpenSSL', '1.0.1q'), # OS dependency should be preferred if the os version is more recent then this version, it's +# nice to have an up to date openssl for security reasons +] + +osdependencies = [('openssl-devel', 'libssl-dev')] + +# order is important! +# package versions updated Feb 25th 2016 +exts_list = [ + ('setuptools', '20.1.1', { + 'source_urls': ['https://pypi.python.org/packages/source/s/setuptools/'], + }), + ('pip', '8.0.2', { + 'source_urls': ['https://pypi.python.org/packages/source/p/pip/'], + }), + ('nose', '1.3.7', { + 'source_urls': ['https://pypi.python.org/packages/source/n/nose/'], + }), +] + +#modluafooter = 'add_property("state","experimental")' + +moduleclass = 'lang' diff --git a/p/pyparsing/pyparsing-2.2.0-Python-3.6.2-base.eb b/p/pyparsing/pyparsing-2.2.0-Py-3.6.eb similarity index 60% rename from p/pyparsing/pyparsing-2.2.0-Python-3.6.2-base.eb rename to p/pyparsing/pyparsing-2.2.0-Py-3.6.eb index 6bef6c093..64aae6a3c 100644 --- a/p/pyparsing/pyparsing-2.2.0-Python-3.6.2-base.eb +++ b/p/pyparsing/pyparsing-2.2.0-Py-3.6.eb @@ -3,24 +3,19 @@ easyblock = "PythonPackage" name = 'pyparsing' version = '2.2.0' -versionsuffix = "-Python-%(pyver)s-base" homepage = 'http://pyparsing.wikispaces.com' description = """The pyparsing module provides a library of classes that client code uses to construct the grammar directly in Python code.""" -toolchain = {'name': 'dummy', 'version': ''} +toolchain = {'name': 'Py', 'version': '3.6'} -source_urls = ['https://pypi.python.org/packages/3c/ec/a94f8cf7274ea60b5413df054f82a8980523efd712ec55a59e7c3357cf7c/'] +source_urls = [PYPI_SOURCE] sources = [SOURCE_TAR_GZ] -dependencies = [ - ('Python', '3.6.2', '-base'), -] - sanity_check_paths = { 'files': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'], 'dirs': [], } -moduleclass = 'vis' +moduleclass = 'python' diff --git a/p/python-dateutil/python-dateutil-2.6.1-Python-3.6.2-base.eb b/p/python-dateutil/python-dateutil-2.6.1-Py-3.6.eb similarity index 72% rename from p/python-dateutil/python-dateutil-2.6.1-Python-3.6.2-base.eb rename to p/python-dateutil/python-dateutil-2.6.1-Py-3.6.eb index 5e7ab485c..87d5b9594 100644 --- a/p/python-dateutil/python-dateutil-2.6.1-Python-3.6.2-base.eb +++ b/p/python-dateutil/python-dateutil-2.6.1-Py-3.6.eb @@ -3,19 +3,17 @@ easyblock = "PythonPackage" name = 'python-dateutil' version = '2.6.1' -versionsuffix = "-Python-%(pyver)s-base" homepage = 'https://github.com/dateutil/dateutil' -description = 'Useful extensions to the standard Python datetime features' +description = 'Useful extensions to the standard Python datetime features.' -toolchain = {'name': 'dummy', 'version': ''} +toolchain = {'name': 'Py', 'version': '3.6'} source_urls = ['https://github.com/dateutil/dateutil/releases/download/%(version)s'] sources = [SOURCE_TAR_GZ] dependencies = [ - ('Python', '3.6.2', '-base'), - ('six', '1.11.0', versionsuffix), + ('six', '1.11.0'), ] options = {'modulename': 'dateutil'} @@ -25,4 +23,4 @@ sanity_check_paths = { 'dirs': [], } -moduleclass = 'vis' +moduleclass = 'python' diff --git a/p/pytz/pytz-2017.3-Py-3.6.eb b/p/pytz/pytz-2017.3-Py-3.6.eb new file mode 100644 index 000000000..ffaf2d74e --- /dev/null +++ b/p/pytz/pytz-2017.3-Py-3.6.eb @@ -0,0 +1,21 @@ +# IT4Innovations 2018 + +easyblock = "PythonPackage" +name = 'pytz' +version = '2017.3' + +homepage = 'http://pytz.sourceforge.net/' +description = """pytz brings the Olson tz database into Python. This library allows + accurate and cross platform timezone calculations using Python 2.4 or higher.""" + +toolchain = {'name': 'Py', 'version': '3.6'} + +source_urls = ['https://pypi.python.org/packages/60/88/d3152c234da4b2a1f7a989f89609ea488225eaea015bc16fbde2b3fdfefa'] +sources = [SOURCE_ZIP] + +sanity_check_paths = { + 'files': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'], + 'dirs': [], +} + +moduleclass = 'python' diff --git a/s/scipy/scipy-1.0.0-Python-3.6.2-base.eb b/s/scipy/scipy-1.0.0-Py-3.6.eb similarity index 64% rename from s/scipy/scipy-1.0.0-Python-3.6.2-base.eb rename to s/scipy/scipy-1.0.0-Py-3.6.eb index 1f9db6991..3215128c7 100644 --- a/s/scipy/scipy-1.0.0-Python-3.6.2-base.eb +++ b/s/scipy/scipy-1.0.0-Py-3.6.eb @@ -4,9 +4,9 @@ easyblock = 'PythonPackage' name = 'scipy' version = '1.0.0' -versionsuffix = '-Python-%(pyver)s-base' +versionsuffix = '-Py-3.6' -homepage = 'http://scipy.org/scipylib' +homepage = 'http://scipy.org' description = """SciPy (pronounced 'Sigh Pie') is open-source software for mathematics, science, and engineering. It includes modules for statistics, optimization, integration, linear algebra, Fourier transforms, signal and image processing, ODE solvers, and more.""" @@ -16,19 +16,21 @@ source_urls = ['https://github.com/scipy/scipy/releases/download/v%(version)s'] sources = [SOURCELOWER_TAR_GZ] dependencies = [ - ('Python', '3.6.2', '-base'), - ('numpy', '1.13.3', versionsuffix), + ('Py', '3.6'), + ('numpy', '1.13.3', '-Py-3.6'), ] builddependencies = [ - ('imkl', '2017.1.132', '-iimpi-2017a'), + ('imkl', '2017.1.132', '', ('iimpi', '2017a')), +# ('LAPACK', '3.7.1', '', ('gompi', '2017a')), +# ('OpenBLAS', '0.2.19', '-LAPACK-3.7.0', ('GCC', '6.3.0-2.27')), ] sanity_check_paths = { 'files': [], - 'dirs': ['lib/python%(pyshortver)s/site-packages/scipy-1.0.0-py3.6-linux-x86_64.egg/scipy'], + 'dirs': ['lib/python3.6/site-packages/scipy-1.0.0-py3.6-linux-x86_64.egg/scipy'], } sanity_check_commands = [('python', '-c "import scipy; assert(scipy.__version__ == \'%(version)s\')"')] -moduleclass = 'math' +moduleclass = 'python' diff --git a/s/six/six-1.11.0-Py-2.7.eb b/s/six/six-1.11.0-Py-2.7.eb new file mode 100644 index 000000000..1add9feab --- /dev/null +++ b/s/six/six-1.11.0-Py-2.7.eb @@ -0,0 +1,20 @@ +# IT4Innovations 2018 + +easyblock = "PythonPackage" +name = 'six' +version = '1.11.0' + +homepage = 'https://github.com/benjaminp/six' +description = 'Python 2 and 3 compatibility library.' + +toolchain = {'name': 'Py', 'version': '2.7'} + +source_urls = ['https://github.com/benjaminp/six/archive/'] +sources = ['%(version)s.tar.gz'] + +sanity_check_paths = { + 'files': [], + 'dirs': ['lib/python2.7/site-packages/%(name)s-%(version)s-py2.7.egg'], +} + +moduleclass = 'python' diff --git a/s/six/six-1.11.0-Python-3.6.2-base.eb b/s/six/six-1.11.0-Py-3.6.eb similarity index 71% rename from s/six/six-1.11.0-Python-3.6.2-base.eb rename to s/six/six-1.11.0-Py-3.6.eb index 75bf7ddcc..fb5c8b276 100644 --- a/s/six/six-1.11.0-Python-3.6.2-base.eb +++ b/s/six/six-1.11.0-Py-3.6.eb @@ -3,23 +3,18 @@ easyblock = "PythonPackage" name = 'six' version = '1.11.0' -versionsuffix = "-Python-%(pyver)s-base" homepage = 'https://github.com/benjaminp/six' description = 'Python 2 and 3 compatibility library.' -toolchain = {'name': 'dummy', 'version': ''} +toolchain = {'name': 'Py', 'version': '3.6'} source_urls = ['https://github.com/benjaminp/six/archive/'] sources = ['%(version)s.tar.gz'] -dependencies = [ - ('Python', '3.6.2', '-base'), -] - sanity_check_paths = { 'files': [], 'dirs': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'], } -moduleclass = 'vis' +moduleclass = 'python' diff --git a/s/spglib-python/spglib-python-1.10.2.4-Py-3.6.eb b/s/spglib-python/spglib-python-1.10.2.4-Py-3.6.eb new file mode 100644 index 000000000..c5878609d --- /dev/null +++ b/s/spglib-python/spglib-python-1.10.2.4-Py-3.6.eb @@ -0,0 +1,22 @@ +# IT4Innovations 2018 + +easyblock = "PythonPackage" +name = 'spglib-python' +version = '1.10.2.4' + +homepage = 'https://pypi.python.org/pypi/spglib' +description = 'Spglib for Python. Spglib is a library for finding and handling crystal symmetries written in C.' + +toolchain = {'name': 'Py', 'version': '3.6'} + +source_urls = ['https://pypi.python.org/packages/8a/7a/3f74fda3760e1fff770c4af0705874722f735f48be6610e9975c9fc6496a'] +sources = ['spglib-%(version)s.tar.gz'] + +options = {'modulename': 'spglib'} + +sanity_check_paths = { + 'files': [], + 'dirs': ['lib/python3.6/site-packages/spglib-%(version)s-py3.6-linux-x86_64.egg'], +} + +moduleclass = 'python' diff --git a/w/Werkzeug/Werkzeug-0.14.1-Py-3.6.eb b/w/Werkzeug/Werkzeug-0.14.1-Py-3.6.eb new file mode 100644 index 000000000..c8d2e5a1e --- /dev/null +++ b/w/Werkzeug/Werkzeug-0.14.1-Py-3.6.eb @@ -0,0 +1,25 @@ +# IT4Innovations 2018 + +easyblock = "PythonPackage" +name = 'Werkzeug' +version = '0.14.1' + +homepage = 'https://pypi.python.org/pypi/Werkzeug' +description = 'The comprehensive WSGI web application library.' + +toolchain = {'name': 'Py', 'version': '3.6'} + +source_urls = [PYPI_SOURCE] +sources = [SOURCE_TAR_GZ] + +#dependencies = [ +# ('Jinja2', '2.10'), + +#] + +sanity_check_paths = { + 'files': [], + 'dirs': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'], +} + +moduleclass = 'python' -- GitLab