mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
synced 2025-04-04 06:11:36 +01:00
new file: a/Autoconf/Autoconf-2.69-foss-2022b.eb
new file: a/Autoconf/Autoconf-2.71-foss-2022b.eb new file: a/Automake/Automake-1.15.eb new file: a/Automake/Automake-1.16.eb new file: a/Autotools/Autotools-20180311-foss-2022b.eb new file: b/Boost/Boost-1.77.0-foss-2022b.eb new file: c/CMake/CMake-3.20.1-foss-2022b.eb new file: c/cURL/cURL-7.76.0-foss-2022b.eb new file: f/Firefox/Firefox-127.0.1.eb modified: f/Firefox/Firefox-44.0.2.eb new file: g/GCC/GCC-13.2.0-foss-2022b.eb new file: g/GCCcore/GCCcore-13.2.0-foss-2022b.eb modified: g/GMP/GMP-6.1.2.eb new file: h/HDF5/HDF5-1.14.0-iimpi-2023a.eb new file: j/JupyterLab/JupyterLab-4.2.0-GCCcore-13.2.0.eb new file: j/jupyter-server/jupyter-server-2.14.0-GCCcore-13.2.0.eb modified: l/libffi/libffi-3.2.1.eb modified: l/libreadline/libreadline-8.0.eb new file: l/libxc/libxc-6.2.2-NVHPC-24.3-CUDA-12.3.0.eb new file: n/ncurses/ncurses-6.2-foss-2022b.eb new file: o/OpenVDB/OpenVDB-11.0.0-foss-2022b-Python-3.10.8.eb new file: o/OpenVDB/OpenVDB-11.0.0-foss-2022b-Python-3.9.9.eb new file: o/OpenVDB/OpenVDB-11.0.0-foss-2022b.eb new file: p/Python/Python-3.11.5-foss-2022b.eb new file: p/Python/Python-3.9.9.eb modified: s/SQLite/SQLite-3.27.2.eb modified: t/Tcl/Tcl-8.6.9.eb new file: t/TurboVNC/TurboVNC-3.1.1-GCCcore-13.2.0.eb new file: z/zlib/zlib-1.2.10-foss-2022b.eb new file: z/zlib/zlib-1.2.11-foss-2022b.eb
This commit is contained in:
Lukas Krupcik
parent
30bdf20a8c
commit
8a30a3c673
38
a/Autoconf/Autoconf-2.69-foss-2022b.eb
Normal file
38
a/Autoconf/Autoconf-2.69-foss-2022b.eb
Normal file
@ -0,0 +1,38 @@
|
||||
#IT4Innovations
|
||||
#BS 2024
|
||||
|
||||
easyblock = 'ConfigureMake'
|
||||
|
||||
name = 'Autoconf'
|
||||
version = '2.69'
|
||||
|
||||
homepage = 'http://www.gnu.org/software/autoconf/'
|
||||
description = """Autoconf is an extensible package of M4 macros that produce shell scripts
|
||||
to automatically configure software source code packages. These scripts can adapt the
|
||||
packages to many kinds of UNIX-like systems without manual user intervention. Autoconf
|
||||
creates a configuration script for a package from a template file that lists the
|
||||
operating system features that the package can use, in the form of M4 macro calls."""
|
||||
|
||||
toolchain = {'name': 'foss', 'version': '2022b'}
|
||||
|
||||
source_urls = [GNU_SOURCE]
|
||||
sources = [SOURCELOWER_TAR_GZ]
|
||||
checksums = ['954bd69b391edc12d6a4a51a2dd1476543da5c6bbf05a95b59dc0dd6fd4c2969']
|
||||
|
||||
#dependencies = [('M4', '1.4.18')]
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': [
|
||||
"bin/%s" %
|
||||
x for x in [
|
||||
"autoconf",
|
||||
"autoheader",
|
||||
"autom4te",
|
||||
"autoreconf",
|
||||
"autoscan",
|
||||
"autoupdate",
|
||||
"ifnames"]],
|
||||
'dirs': [],
|
||||
}
|
||||
|
||||
moduleclass = 'devel'
|
||||
38
a/Autoconf/Autoconf-2.71-foss-2022b.eb
Normal file
38
a/Autoconf/Autoconf-2.71-foss-2022b.eb
Normal file
@ -0,0 +1,38 @@
|
||||
#IT4Innovations
|
||||
#BS 2024
|
||||
|
||||
easyblock = 'ConfigureMake'
|
||||
|
||||
name = 'Autoconf'
|
||||
version = '2.71'
|
||||
|
||||
homepage = 'http://www.gnu.org/software/autoconf/'
|
||||
description = """Autoconf is an extensible package of M4 macros that produce shell scripts
|
||||
to automatically configure software source code packages. These scripts can adapt the
|
||||
packages to many kinds of UNIX-like systems without manual user intervention. Autoconf
|
||||
creates a configuration script for a package from a template file that lists the
|
||||
operating system features that the package can use, in the form of M4 macro calls."""
|
||||
|
||||
toolchain = {'name': 'foss', 'version': '2022b'}
|
||||
|
||||
source_urls = [GNU_SOURCE]
|
||||
sources = [SOURCELOWER_TAR_GZ]
|
||||
checksums = ['954bd69b391edc12d6a4a51a2dd1476543da5c6bbf05a95b59dc0dd6fd4c2969']
|
||||
|
||||
#dependencies = [('M4', '1.4.18')]
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': [
|
||||
"bin/%s" %
|
||||
x for x in [
|
||||
"autoconf",
|
||||
"autoheader",
|
||||
"autom4te",
|
||||
"autoreconf",
|
||||
"autoscan",
|
||||
"autoupdate",
|
||||
"ifnames"]],
|
||||
'dirs': [],
|
||||
}
|
||||
|
||||
moduleclass = 'devel'
|
||||
28
a/Automake/Automake-1.15.eb
Normal file
28
a/Automake/Automake-1.15.eb
Normal file
@ -0,0 +1,28 @@
|
||||
# IT4Innovations 2024
|
||||
# BS
|
||||
|
||||
easyblock = 'ConfigureMake'
|
||||
|
||||
name = 'Automake'
|
||||
version = "1.15"
|
||||
|
||||
homepage = 'http://www.gnu.org/software/automake/automake.html'
|
||||
|
||||
description = "Automake: GNU Standards-local_compliant Makefile generator"
|
||||
|
||||
toolchain = SYSTEM
|
||||
|
||||
source_urls = ['https://mirror.checkdomain.de/gnu/automake/']
|
||||
sources = [SOURCELOWER_TAR_GZ]
|
||||
checksums = ['608a97523f97db32f1f5d5615c98ca69326ced2054c9f82e65bade7fc4c9dea8']
|
||||
|
||||
dependencies = [
|
||||
('Autoconf', '2.69'),
|
||||
]
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': ['bin/automake', 'bin/aclocal'],
|
||||
'dirs': []
|
||||
}
|
||||
|
||||
moduleclass = 'devel'
|
||||
27
a/Automake/Automake-1.16.eb
Normal file
27
a/Automake/Automake-1.16.eb
Normal file
@ -0,0 +1,27 @@
|
||||
# IT4Innovations 2018
|
||||
|
||||
easyblock = 'ConfigureMake'
|
||||
|
||||
name = 'Automake'
|
||||
version = "1.16"
|
||||
|
||||
homepage = 'http://www.gnu.org/software/automake/automake.html'
|
||||
|
||||
description = "Automake: GNU Standards-local_compliant Makefile generator"
|
||||
|
||||
toolchain = SYSTEM
|
||||
|
||||
source_urls = ['https://mirror.checkdomain.de/gnu/automake/']
|
||||
sources = [SOURCELOWER_TAR_GZ]
|
||||
checksums = ['608a97523f97db32f1f5d5615c98ca69326ced2054c9f82e65bade7fc4c9dea8']
|
||||
|
||||
dependencies = [
|
||||
('Autoconf', '2.69'),
|
||||
]
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': ['bin/automake', 'bin/aclocal'],
|
||||
'dirs': []
|
||||
}
|
||||
|
||||
moduleclass = 'devel'
|
||||
27
a/Autotools/Autotools-20180311-foss-2022b.eb
Normal file
27
a/Autotools/Autotools-20180311-foss-2022b.eb
Normal file
@ -0,0 +1,27 @@
|
||||
# IT4Innovations
|
||||
# BS 2024
|
||||
|
||||
easyblock = 'Bundle'
|
||||
|
||||
name = 'Autotools'
|
||||
version = '20180311' # date of the most recent change
|
||||
|
||||
homepage = 'http://autotools.io'
|
||||
|
||||
description = """
|
||||
This bundle collect the standard GNU build tools: Autoconf, Automake
|
||||
and libtool
|
||||
"""
|
||||
|
||||
toolchain = {'name': 'foss', 'version': '2022b'}
|
||||
|
||||
dependencies = [
|
||||
('Autoconf', '2.69'), # 20120424
|
||||
('Automake', '1.16.1'), # 20180311
|
||||
('libtool', '2.4.6'), # 20150215
|
||||
]
|
||||
|
||||
# Pure bundle -- no need to specify 'binutils' used when building GCCcore
|
||||
# toolchain as build dependency
|
||||
|
||||
moduleclass = 'devel'
|
||||
27
b/Boost/Boost-1.77.0-foss-2022b.eb
Normal file
27
b/Boost/Boost-1.77.0-foss-2022b.eb
Normal file
@ -0,0 +1,27 @@
|
||||
# IT4Innovations
|
||||
# BS 2024
|
||||
|
||||
name = 'Boost'
|
||||
version = '1.77.0'
|
||||
|
||||
homepage = 'http://www.boost.org/'
|
||||
description = """Boost provides free peer-reviewed portable C++ source libraries."""
|
||||
|
||||
toolchain = {'name': 'foss', 'version': '2022b'}
|
||||
toolchainopts = {'pic': True, 'usempi': True}
|
||||
|
||||
source_urls = ['https://boostorg.jfrog.io/artifactory/main/release/%(version)s/source/']
|
||||
sources = ['%%(namelower)s_%s.tar.gz' % '_'.join(version.split('.'))]
|
||||
checksums = ['5347464af5b14ac54bb945dc68f1dd7c56f0dad7262816b956138fc53bcc0131']
|
||||
|
||||
dependencies = [
|
||||
('bzip2', '1.0.8', '', True),
|
||||
('zlib', '1.2.11', '', True),
|
||||
]
|
||||
|
||||
configopts = '--without-libraries=python'
|
||||
|
||||
# also build boost_mpi
|
||||
boost_mpi = True
|
||||
|
||||
moduleclass = 'devel'
|
||||
29
c/CMake/CMake-3.20.1-foss-2022b.eb
Normal file
29
c/CMake/CMake-3.20.1-foss-2022b.eb
Normal file
@ -0,0 +1,29 @@
|
||||
# IT4Innovations
|
||||
# BS 2024
|
||||
|
||||
name = 'CMake'
|
||||
version = '3.20.1'
|
||||
|
||||
homepage = 'https://www.cmake.org'
|
||||
|
||||
description = """
|
||||
CMake, the cross-platform, open-source build system. CMake is a family of
|
||||
tools designed to build, test and package software.
|
||||
"""
|
||||
|
||||
toolchain = {'name': 'foss', 'version': '2022b'}
|
||||
|
||||
source_urls = ['https://www.cmake.org/files/v%(version_major_minor)s']
|
||||
sources = [SOURCELOWER_TAR_GZ]
|
||||
checksums = ['3f1808b9b00281df06c91dd7a021d7f52f724101000da7985a401678dfe035b0']
|
||||
|
||||
dependencies = [
|
||||
('ncurses', '6.2'),
|
||||
('zlib', '1.2.11'),
|
||||
('bzip2', '1.0.8'),
|
||||
('cURL', '7.76.0'),
|
||||
('libarchive', '3.7.2'),
|
||||
('OpenSSL', '1.1', '', True),
|
||||
]
|
||||
|
||||
moduleclass = 'devel'
|
||||
42
c/cURL/cURL-7.76.0-foss-2022b.eb
Normal file
42
c/cURL/cURL-7.76.0-foss-2022b.eb
Normal file
@ -0,0 +1,42 @@
|
||||
# IT4Innovations
|
||||
# BS 2024
|
||||
|
||||
easyblock = 'ConfigureMake'
|
||||
|
||||
name = 'cURL'
|
||||
version = '7.76.0'
|
||||
|
||||
homepage = 'https://curl.haxx.se'
|
||||
|
||||
description = """
|
||||
libcurl is a free and easy-to-use client-side URL transfer library,
|
||||
supporting DICT, FILE, FTP, FTPS, Gopher, HTTP, HTTPS, IMAP, IMAPS, LDAP,
|
||||
LDAPS, POP3, POP3S, RTMP, RTSP, SCP, SFTP, SMTP, SMTPS, Telnet and TFTP.
|
||||
libcurl supports SSL certificates, HTTP POST, HTTP PUT, FTP uploading, HTTP
|
||||
form based upload, proxies, cookies, user+password authentication (Basic,
|
||||
Digest, NTLM, Negotiate, Kerberos), file transfer resume, http proxy tunneling
|
||||
and more.
|
||||
"""
|
||||
|
||||
toolchain = {'name': 'foss', 'version': '2022b'}
|
||||
|
||||
source_urls = ['https://curl.haxx.se/download/']
|
||||
sources = [SOURCELOWER_TAR_GZ]
|
||||
checksums = ['3b4378156ba09e224008e81dcce854b7ce4d182b1f9cfb97fe5ed9e9c18c6bd3']
|
||||
|
||||
dependencies = [
|
||||
('zlib', '1.2.11'),
|
||||
('OpenSSL', '1.1', '', True),
|
||||
]
|
||||
|
||||
configopts = '--with-zlib'
|
||||
# configopts += '--with-ssl=$EBROOTOPENSSL'
|
||||
|
||||
modextravars = {'CURL_INCLUDES': '%(installdir)s/include'}
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': ['bin/curl', 'lib/libcurl.a', 'lib/libcurl.%s' % SHLIB_EXT],
|
||||
'dirs': ['lib/pkgconfig', 'include/curl'],
|
||||
}
|
||||
|
||||
moduleclass = 'tools'
|
||||
31
f/Firefox/Firefox-127.0.1.eb
Normal file
31
f/Firefox/Firefox-127.0.1.eb
Normal file
@ -0,0 +1,31 @@
|
||||
# IT4Innovations
|
||||
# LK 2024
|
||||
|
||||
easyblock = 'Tarball'
|
||||
|
||||
name = 'Firefox'
|
||||
version = '127.0.1'
|
||||
|
||||
homepage = 'https://www.mozilla.org/en-US/firefox/new/'
|
||||
description = """Firefox is a free, open source Web browser for Windows, Linux and Mac OS X. It is based on the Mozilla code
|
||||
base and offers customization options and features such as its capability to block pop-up windows, tabbed browsing, privacy
|
||||
and security measures, smart searching, and RSS live bookmarks."""
|
||||
|
||||
toolchain = SYSTEM
|
||||
|
||||
source_urls = [
|
||||
'https://ftp.mozilla.org/pub/firefox/releases/%(version)s/linux-x86_64/en-US/']
|
||||
sources = [SOURCELOWER_TAR_BZ2]
|
||||
checksums = ['57564e6219f8f79418ba49d1e7a6edf44f8e253f777d0ae7de7dbff200c3d5f4']
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': ['firefox'],
|
||||
'dirs': []
|
||||
}
|
||||
|
||||
# add the installation dir to PATH
|
||||
modextrapaths = {
|
||||
'PATH': "",
|
||||
}
|
||||
|
||||
moduleclass = 'tools'
|
||||
@ -18,6 +18,7 @@ toolchain = SYSTEM
|
||||
source_urls = [
|
||||
'https://ftp.mozilla.org/pub/firefox/releases/%(version)s/linux-x86_64/en-US/']
|
||||
sources = [SOURCELOWER_TAR_BZ2]
|
||||
checksums = ['a4b439e28274feb4bf5494ba180143e6b8617428a63d11fa2fd0e650dda41908']
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': ['firefox'],
|
||||
|
||||
28
g/GCC/GCC-13.2.0-foss-2022b.eb
Normal file
28
g/GCC/GCC-13.2.0-foss-2022b.eb
Normal file
@ -0,0 +1,28 @@
|
||||
# IT4Innovations
|
||||
# BS 2024
|
||||
|
||||
easyblock = 'Bundle'
|
||||
|
||||
name = 'GCC'
|
||||
version = '13.2.0'
|
||||
|
||||
local_local_local_binutilsver = '2.32'
|
||||
versionsuffix = '-%s' % local_local_local_binutilsver
|
||||
|
||||
homepage = 'https://gcc.gnu.org/'
|
||||
description = """The GNU Compiler Collection includes front ends for C, C++, Objective-C, Fortran, Java, and Ada,
|
||||
as well as libraries for these languages (libstdc++, libgcj,...)."""
|
||||
|
||||
toolchain = {'name': 'foss', 'version': '2022b'}
|
||||
|
||||
dependencies = [
|
||||
('GCCcore', version),
|
||||
# local_binutils built on top of GCCcore, which was built on top of (dummy-built) local_binutils
|
||||
('binutils', local_local_local_binutilsver, '', ('GCCcore', version)),
|
||||
]
|
||||
|
||||
altroot = 'GCCcore'
|
||||
altversion = 'GCCcore'
|
||||
|
||||
# this bundle serves as a local_compiler-only toolchain, so it should be marked as local_compiler (important for HMNS)
|
||||
moduleclass = 'compiler'
|
||||
52
g/GCCcore/GCCcore-13.2.0-foss-2022b.eb
Normal file
52
g/GCCcore/GCCcore-13.2.0-foss-2022b.eb
Normal file
@ -0,0 +1,52 @@
|
||||
# IT4Innovations
|
||||
# BS 2024
|
||||
|
||||
easyblock = 'EB_GCC'
|
||||
|
||||
name = 'GCCcore'
|
||||
version = '13.2.0'
|
||||
|
||||
homepage = 'https://gcc.gnu.org/'
|
||||
description = """The GNU Compiler Collection includes front ends for C, C++, Objective-C, Fortran, Java, and Ada,
|
||||
as well as libraries for these languages (libstdc++, libgcj,...)."""
|
||||
|
||||
toolchain = {'name': 'foss', 'version': '2022b'}
|
||||
|
||||
local_local_mpfr_version = '4.0.2'
|
||||
|
||||
source_urls = [
|
||||
'https://ftpmirror.gnu.org/gnu/gcc/gcc-%(version)s', # GCC auto-resolving HTTP mirror
|
||||
'https://ftpmirror.gnu.org/gnu/gmp', # idem for GMP
|
||||
'https://ftpmirror.gnu.org/gnu/mpfr', # idem for MPFR
|
||||
'https://ftpmirror.gnu.org/gnu/mpc', # idem for MPC
|
||||
'ftp://gcc.gnu.org/pub/gcc/infrastructure/', # GCC dependencies
|
||||
'http://gcc.cybermirror.org/infrastructure/', # HTTP mirror for GCC dependencies
|
||||
'http://isl.gforge.inria.fr/', # original HTTP source for ISL
|
||||
]
|
||||
sources = [
|
||||
'gcc-%(version)s.tar.gz',
|
||||
'gmp-6.1.2.tar.bz2',
|
||||
'mpfr-%s.tar.bz2' % local_local_mpfr_version,
|
||||
'mpc-1.1.0.tar.gz',
|
||||
'isl-0.21.tar.bz2',
|
||||
]
|
||||
patches = ['GCCcore-6.2.0-fix-find-isl.patch']
|
||||
checksums = [
|
||||
'a931a750d6feadacbeecb321d73925cd5ebb6dfa7eff0802984af3aef63759f4', # gcc-9.2.0.tar.gz
|
||||
'5275bb04f4863a13516b2f39392ac5e272f5e1bb8057b18aec1c9b79d73d8fb2', # gmp-6.1.2.tar.bz2
|
||||
'c05e3f02d09e0e9019384cdd58e0f19c64e6db1fd6f5ecf77b4b1c61ca253acc', # mpfr-4.0.2.tar.bz2
|
||||
'6985c538143c1208dcb1ac42cedad6ff52e267b47e5f970183a3e75125b43c2e', # mpc-1.1.0.tar.gz
|
||||
'd18ca11f8ad1a39ab6d03d3dcb3365ab416720fcb65b42d69f34f51bf0a0e859', # isl-0.21.tar.bz2
|
||||
'5ad909606d17d851c6ad629b4fddb6c1621844218b8d139fed18c502a7696c68', # GCCcore-6.2.0-fix-find-isl.patch
|
||||
]
|
||||
|
||||
builddependencies = [
|
||||
('M4', '1.4.18', '', True),
|
||||
('binutils', '2.40'),
|
||||
]
|
||||
|
||||
languages = ['c', 'c++', 'fortran']
|
||||
|
||||
withisl = True
|
||||
|
||||
moduleclass = 'compiler'
|
||||
@ -13,8 +13,13 @@ toolchainopts = {'pic': True, 'precise': True}
|
||||
sources = [SOURCELOWER_TAR_BZ2]
|
||||
source_urls = ['http://ftp.gnu.org/gnu/gmp']
|
||||
|
||||
checksums = ['914ee417b4607c75c95b53bc73a0599de4157c7d6a32e849e80f24e40fb64181']
|
||||
|
||||
builddependencies = [
|
||||
('Autotools', '20150215'),
|
||||
#('Autotools', '20150215'),
|
||||
('Autoconf', '2.69'),
|
||||
('Automake', '1.16.1'),
|
||||
('libtool', '2.4.6'),
|
||||
]
|
||||
|
||||
# enable C++ interface
|
||||
|
||||
26
h/HDF5/HDF5-1.14.0-iimpi-2023a.eb
Normal file
26
h/HDF5/HDF5-1.14.0-iimpi-2023a.eb
Normal file
@ -0,0 +1,26 @@
|
||||
name = 'HDF5'
|
||||
# Note: Odd minor releases are only RCs and should not be used.
|
||||
version = '1.14.0'
|
||||
|
||||
homepage = 'https://portal.hdfgroup.org/display/support'
|
||||
description = """HDF5 is a data model, library, and file format for storing and managing data.
|
||||
It supports an unlimited variety of datatypes, and is designed for flexible
|
||||
and efficient I/O and for high volume and complex data."""
|
||||
|
||||
toolchain = {'name': 'iimpi', 'version': '2023a'}
|
||||
toolchainopts = {'pic': True, 'usempi': True}
|
||||
|
||||
source_urls = ['https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-%(version_major_minor)s/hdf5-%(version)s/src']
|
||||
sources = [SOURCELOWER_TAR_GZ]
|
||||
checksums = ['a571cc83efda62e1a51a0a912dd916d01895801c5025af91669484a1575a6ef4']
|
||||
|
||||
# replace src include path with installation dir for $H5BLD_CPPFLAGS
|
||||
_regex = 's, -I[^[:space:]]+H5FDsubfiling , -I%(installdir)s/include ,g'
|
||||
postinstallcmds = ['sed -i -r "%s" %%(installdir)s/bin/%s' % (_regex, x) for x in ['h5c++', 'h5pcc']]
|
||||
|
||||
dependencies = [
|
||||
('zlib', '1.2.13'),
|
||||
('Szip', '2.1.1'),
|
||||
]
|
||||
|
||||
moduleclass = 'data'
|
||||
80
j/JupyterLab/JupyterLab-4.2.0-GCCcore-13.2.0.eb
Normal file
80
j/JupyterLab/JupyterLab-4.2.0-GCCcore-13.2.0.eb
Normal file
@ -0,0 +1,80 @@
|
||||
# IT4Innovations
|
||||
# LK 2024
|
||||
|
||||
easyblock = 'PythonBundle'
|
||||
|
||||
name = 'JupyterLab'
|
||||
version = '4.2.0'
|
||||
|
||||
homepage = 'https://jupyter.org/'
|
||||
description = """JupyterLab is the next-generation user interface for Project Jupyter offering all the familiar
|
||||
building blocks of the classic Jupyter Notebook (notebook, terminal, text editor, file browser, rich outputs,
|
||||
etc.) in a flexible and powerful user interface. JupyterLab will eventually replace the classic Jupyter
|
||||
Notebook."""
|
||||
|
||||
toolchain = {'name': 'GCCcore', 'version': '13.2.0'}
|
||||
|
||||
builddependencies = [
|
||||
('binutils', '2.40'),
|
||||
('hatch-jupyter-builder', '0.9.1'),
|
||||
]
|
||||
dependencies = [
|
||||
('Python', '3.11.5'),
|
||||
('jupyter-server', '2.14.0'),
|
||||
]
|
||||
|
||||
use_pip = True
|
||||
sanity_pip_check = True
|
||||
|
||||
exts_list = [
|
||||
('json5', '0.9.25', {
|
||||
'checksums': ['548e41b9be043f9426776f05df8635a00fe06104ea51ed24b67f908856e151ae'],
|
||||
}),
|
||||
('jupyterlab_server', '2.27.1', {
|
||||
'checksums': ['097b5ac709b676c7284ac9c5e373f11930a561f52cd5a86e4fc7e5a9c8a8631d'],
|
||||
}),
|
||||
('jupyter-lsp', '2.2.5', {
|
||||
'checksums': ['793147a05ad446f809fd53ef1cd19a9f5256fd0a2d6b7ce943a982cb4f545001'],
|
||||
}),
|
||||
('async-lru', '2.0.4', {
|
||||
'checksums': ['b8a59a5df60805ff63220b2a0c5b5393da5521b113cd5465a44eb037d81a5627'],
|
||||
}),
|
||||
('h11', '0.14.0', {
|
||||
'checksums': ['8f19fbbe99e72420ff35c00b27a34cb9937e902a8b810e2c88300c6f0a3b699d'],
|
||||
}),
|
||||
('httpcore', '1.0.5', {
|
||||
'checksums': ['34a38e2f9291467ee3b44e89dd52615370e152954ba21721378a87b2960f7a61'],
|
||||
}),
|
||||
('httpx', '0.27.0', {
|
||||
'checksums': ['a0cb88a46f32dc874e04ee956e4c2764aba2aa228f650b06788ba6bda2962ab5'],
|
||||
}),
|
||||
('jupyterlab', version, {
|
||||
'checksums': ['356e9205a6a2ab689c47c8fe4919dba6c076e376d03f26baadc05748c2435dd5'],
|
||||
}),
|
||||
]
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': ['bin/jupyter-lab', 'bin/jupyter-labextension', 'bin/jupyter-labhub'],
|
||||
'dirs': ['etc/jupyter', 'share/jupyter'],
|
||||
}
|
||||
|
||||
sanity_check_commands = ['jupyter lab --help']
|
||||
|
||||
modextrapaths = {'EB_ENV_JUPYTER_ROOT': ''}
|
||||
modextravars = {
|
||||
# only one path allowed as JUPYTERLAB_DIR
|
||||
'JUPYTERLAB_DIR': '%(installdir)s/share/jupyter/lab',
|
||||
}
|
||||
|
||||
# keep user's configuration in their home directory
|
||||
# note: '~' is not expanded by JupyterLab
|
||||
modluafooter = """
|
||||
setenv("JUPYTERLAB_SETTINGS_DIR", pathJoin(os.getenv("HOME"), ".jupyter", "lab", "user-settings"))
|
||||
setenv("JUPYTERLAB_WORKSPACES_DIR", pathJoin(os.getenv("HOME"), ".jupyter", "lab", "workspaces"))
|
||||
"""
|
||||
modtclfooter = """
|
||||
setenv JUPYTERLAB_SETTINGS_DIR "$::env(HOME)/.jupyter/lab/user-settings"
|
||||
setenv JUPYTERLAB_WORKSPACES_DIR "$::env(HOME)/.jupyter/lab/workspaces"
|
||||
"""
|
||||
|
||||
moduleclass = 'tools'
|
||||
187
j/jupyter-server/jupyter-server-2.14.0-GCCcore-13.2.0.eb
Normal file
187
j/jupyter-server/jupyter-server-2.14.0-GCCcore-13.2.0.eb
Normal file
@ -0,0 +1,187 @@
|
||||
# IT4Innovations
|
||||
# LK 2024
|
||||
|
||||
easyblock = 'PythonBundle'
|
||||
|
||||
name = 'jupyter-server'
|
||||
version = "2.14.0"
|
||||
|
||||
homepage = 'https://jupyter.org/'
|
||||
description = """The Jupyter Server provides the backend (i.e. the core services, APIs, and REST
|
||||
endpoints) for Jupyter web applications like Jupyter notebook, JupyterLab, and
|
||||
Voila."""
|
||||
|
||||
toolchain = {'name': 'GCCcore', 'version': '13.2.0'}
|
||||
|
||||
builddependencies = [
|
||||
('binutils', '2.40'),
|
||||
('maturin', '1.3.1'), # needed by rpds_py
|
||||
('hatch-jupyter-builder', '0.9.1'),
|
||||
]
|
||||
dependencies = [
|
||||
('Python', '3.11.5'),
|
||||
('PyYAML', '6.0.1'),
|
||||
('PyZMQ', '25.1.2'),
|
||||
('tornado', '6.4'),
|
||||
('BeautifulSoup', '4.12.2'), # needed by nbconvert
|
||||
]
|
||||
|
||||
sanity_pip_check = True
|
||||
use_pip = True
|
||||
|
||||
# WARNING: the versions of ipywidgets, widgetsnbextension and jupyterlab_widgets are tied between them
|
||||
# use the versions published in a single release commit instead of blindly pushing to last available version,
|
||||
# see for instance https://github.com/jupyter-widgets/ipywidgets/commit/b728926f58ed3ffef08f716998ac6c226dafc1aa
|
||||
|
||||
exts_list = [
|
||||
('websocket_client', '1.8.0', {
|
||||
'modulename': 'websocket',
|
||||
'checksums': ['3239df9f44da632f96012472805d40a23281a991027ce11d2f45a6f24ac4c3da'],
|
||||
}),
|
||||
('terminado', '0.18.1', {
|
||||
'checksums': ['de09f2c4b85de4765f7714688fff57d3e75bad1f909b589fde880460c753fd2e'],
|
||||
}),
|
||||
('Send2Trash', '1.8.3', {
|
||||
'checksums': ['b18e7a3966d99871aefeb00cfbcfdced55ce4871194810fc71f4aa484b953abf'],
|
||||
}),
|
||||
('prometheus_client', '0.20.0', {
|
||||
'checksums': ['287629d00b147a32dcb2be0b9df905da599b2d82f80377083ec8463309a4bb89'],
|
||||
}),
|
||||
('overrides', '7.7.0', {
|
||||
'checksums': ['55158fa3d93b98cc75299b1e67078ad9003ca27945c76162c1c0766d6f91820a'],
|
||||
}),
|
||||
('jupyter_core', '5.7.2', {
|
||||
'patches': ['jupyter-core-%(version)s_fix_jupyter_path.patch'],
|
||||
'checksums': [
|
||||
{'jupyter_core-5.7.2.tar.gz': 'aa5f8d32bbf6b431ac830496da7392035d6f61b4f54872f15c4bd2a9c3f536d9'},
|
||||
{'jupyter-core-5.7.2_fix_jupyter_path.patch':
|
||||
'1ed5088728c1ad49687b66e31ed23965c36645ad285693785b2b96c4ff1b2f93'},
|
||||
],
|
||||
}),
|
||||
('fastjsonschema', '2.19.1', {
|
||||
'checksums': ['e3126a94bdc4623d3de4485f8d468a12f02a67921315ddc87836d6e456dc789d'],
|
||||
}),
|
||||
('tinycss2', '1.3.0', {
|
||||
'checksums': ['152f9acabd296a8375fbca5b84c961ff95971fcfc32e79550c8df8e29118c54d'],
|
||||
}),
|
||||
('pandocfilters', '1.5.1', {
|
||||
'checksums': ['002b4a555ee4ebc03f8b66307e287fa492e4a77b4ea14d3f934328297bb4939e'],
|
||||
}),
|
||||
('mistune', '3.0.2', {
|
||||
'checksums': ['fc7f93ded930c92394ef2cb6f04a8aabab4117a91449e72dcc8dfa646a508be8'],
|
||||
}),
|
||||
('deprecation', '2.1.0', {
|
||||
'checksums': ['72b3bde64e5d778694b0cf68178aed03d15e15477116add3fb773e581f9518ff'],
|
||||
}),
|
||||
('jupyter_packaging', '0.12.3', {
|
||||
'checksums': ['9d9b2b63b97ffd67a8bc5391c32a421bc415b264a32c99e4d8d8dd31daae9cf4'],
|
||||
}),
|
||||
('jupyterlab_pygments', '0.3.0', {
|
||||
'checksums': ['721aca4d9029252b11cfa9d185e5b5af4d54772bb8072f9b7036f4170054d35d'],
|
||||
}),
|
||||
('defusedxml', '0.7.1', {
|
||||
'checksums': ['1bb3032db185915b62d7c6209c5a8792be6a32ab2fedacc84e01b52c51aa3e69'],
|
||||
}),
|
||||
('bleach', '6.1.0', {
|
||||
'checksums': ['0a31f1837963c41d46bbf1331b8778e1308ea0791db03cc4e7357b97cf42a8fe'],
|
||||
}),
|
||||
('nbformat', '5.10.4', {
|
||||
'checksums': ['322168b14f937a5d11362988ecac2a4952d3d8e3a2cbeb2319584631226d5b3a'],
|
||||
}),
|
||||
('nbclient', '0.10.0', {
|
||||
'checksums': ['4b3f1b7dba531e498449c4db4f53da339c91d449dc11e9af3a43b4eb5c5abb09'],
|
||||
}),
|
||||
('jupyter_client', '8.6.1', {
|
||||
'checksums': ['e842515e2bab8e19186d89fdfea7abd15e39dd581f94e399f00e2af5a1652d3f'],
|
||||
}),
|
||||
('nbconvert', '7.16.4', {
|
||||
'checksums': ['86ca91ba266b0a448dc96fa6c5b9d98affabde2867b363258703536807f9f7f4'],
|
||||
}),
|
||||
('jupyter_server_terminals', '0.5.3', {
|
||||
'checksums': ['5ae0295167220e9ace0edcfdb212afd2b01ee8d179fe6f23c899590e9b8a5269'],
|
||||
}),
|
||||
('rfc3986_validator', '0.1.1', {
|
||||
'checksums': ['3d44bde7921b3b9ec3ae4e3adca370438eccebc676456449b145d533b240d055'],
|
||||
}),
|
||||
('rfc3339_validator', '0.1.4', {
|
||||
'checksums': ['138a2abdf93304ad60530167e51d2dfb9549521a836871b88d7f4695d0022f6b'],
|
||||
}),
|
||||
('rpds_py', '0.18.1', {
|
||||
'modulename': 'rpds',
|
||||
'checksums': ['dc48b479d540770c811fbd1eb9ba2bb66951863e448efec2e2c102625328e92f'],
|
||||
}),
|
||||
('referencing', '0.35.1', {
|
||||
'checksums': ['25b42124a6c8b632a425174f24087783efb348a6f1e0008e63cd4466fedf703c'],
|
||||
}),
|
||||
('python-json-logger', '2.0.7', {
|
||||
'modulename': 'pythonjsonlogger',
|
||||
'checksums': ['23e7ec02d34237c5aa1e29a070193a4ea87583bb4e7f8fd06d3de8264c4b2e1c'],
|
||||
}),
|
||||
('jsonschema_specifications', '2023.12.1', {
|
||||
'checksums': ['48a76787b3e70f5ed53f1160d2b81f586e4ca6d1548c5de7085d1682674764cc'],
|
||||
}),
|
||||
('jsonschema', '4.22.0', {
|
||||
'checksums': ['5b22d434a45935119af990552c862e5d6d564e8f6601206b305a61fdf661a2b7'],
|
||||
}),
|
||||
('jupyter_events', '0.10.0', {
|
||||
'checksums': ['670b8229d3cc882ec782144ed22e0d29e1c2d639263f92ca8383e66682845e22'],
|
||||
}),
|
||||
('argon2-cffi-bindings', '21.2.0', {
|
||||
'modulename': '_argon2_cffi_bindings',
|
||||
'checksums': ['bb89ceffa6c791807d1305ceb77dbfacc5aa499891d2c55661c6459651fc39e3'],
|
||||
}),
|
||||
('argon2_cffi', '23.1.0', {
|
||||
'modulename': 'argon2',
|
||||
'checksums': ['879c3e79a2729ce768ebb7d36d4609e3a78a4ca2ec3a9f12286ca057e3d0db08'],
|
||||
}),
|
||||
('sniffio', '1.3.1', {
|
||||
'checksums': ['f4324edc670a0f49750a81b895f35c3adb843cca46f0530f79fc1babb23789dc'],
|
||||
}),
|
||||
('anyio', '4.3.0', {
|
||||
'checksums': ['f75253795a87df48568485fd18cdd2a3fa5c4f7c5be8e5e36637733fce06fed6'],
|
||||
}),
|
||||
('jupyter_server', version, {
|
||||
'checksums': ['659154cea512083434fd7c93b7fe0897af7a2fd0b9dd4749282b42eaac4ae677'],
|
||||
}),
|
||||
('jupyterlab_widgets', '3.0.10', {
|
||||
'checksums': ['04f2ac04976727e4f9d0fa91cdc2f1ab860f965e504c29dbd6a65c882c9d04c0'],
|
||||
}),
|
||||
('widgetsnbextension', '4.0.10', {
|
||||
'checksums': ['64196c5ff3b9a9183a8e699a4227fb0b7002f252c814098e66c4d1cd0644688f'],
|
||||
}),
|
||||
('comm', '0.2.2', {
|
||||
'checksums': ['3fd7a84065306e07bea1773df6eb8282de51ba82f77c72f9c85716ab11fe980e'],
|
||||
}),
|
||||
('ipywidgets', '8.1.2', {
|
||||
'checksums': ['d0b9b41e49bae926a866e613a39b0f0097745d2b9f1f3dd406641b4a57ec42c9'],
|
||||
}),
|
||||
# The following few extensions are needed for e.g. JupyterLab but also nbclassic.
|
||||
# Avoid duplication by making it part of this bundle
|
||||
('notebook_shim', '0.2.4', {
|
||||
'checksums': ['b4b2cfa1b65d98307ca24361f5b30fe785b53c3fd07b7a47e89acb5e6ac638cb'],
|
||||
}),
|
||||
('nest_asyncio', '1.6.0', {
|
||||
'checksums': ['6f172d5449aca15afd6c646851f4e31e02c598d553a667e38cafa997cfec55fe'],
|
||||
}),
|
||||
('ipykernel', '6.29.4', {
|
||||
'checksums': ['3d44070060f9475ac2092b760123fadf105d2e2493c24848b6691a7c4f42af5c'],
|
||||
}),
|
||||
('ipython_genutils', '0.2.0', {
|
||||
'checksums': ['eb2e116e75ecef9d4d228fdc66af54269afa26ab4463042e33785b887c628ba8'],
|
||||
}),
|
||||
('debugpy', '1.8.1', {
|
||||
'source_tmpl': '%(name)s-%(version)s-py2.py3-none-any.whl',
|
||||
'checksums': ['28acbe2241222b87e255260c76741e1fbf04fdc3b6d094fcf57b6c6f75ce1242'],
|
||||
}),
|
||||
]
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': ['bin/jupyter'],
|
||||
'dirs': ['share/jupyter', 'etc/jupyter'],
|
||||
}
|
||||
|
||||
sanity_check_commands = ['jupyter --help']
|
||||
|
||||
modextrapaths = {'EB_ENV_JUPYTER_ROOT': ''}
|
||||
|
||||
moduleclass = 'tools'
|
||||
@ -15,6 +15,8 @@ source_urls = [
|
||||
]
|
||||
sources = [SOURCELOWER_TAR_GZ]
|
||||
|
||||
checksums = ['914ee417b4607c75c95b53bc73a0599de4157c7d6a32e849e80f24e40fb64181']
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': [
|
||||
('lib/libffi.%s' %
|
||||
|
||||
@ -17,6 +17,8 @@ toolchainopts = {'pic': True}
|
||||
sources = ['readline-%(version)s.tar.gz']
|
||||
source_urls = ['http://ftp.gnu.org/gnu/readline']
|
||||
|
||||
checksums = ['914ee417b4607c75c95b53bc73a0599de4157c7d6a32e849e80f24e40fb64181']
|
||||
|
||||
dependencies = [('ncurses', '6.1')]
|
||||
|
||||
sanity_check_paths = {
|
||||
|
||||
57
l/libxc/libxc-6.2.2-NVHPC-24.3-CUDA-12.3.0.eb
Normal file
57
l/libxc/libxc-6.2.2-NVHPC-24.3-CUDA-12.3.0.eb
Normal file
@ -0,0 +1,57 @@
|
||||
# IT4Innovations
|
||||
# lK 2024
|
||||
|
||||
easyblock = 'CMakeMake'
|
||||
|
||||
name = 'libxc'
|
||||
version = '6.2.2'
|
||||
|
||||
homepage = 'https://libxc.gitlab.io'
|
||||
description = """Libxc is a library of exchange-correlation functionals for density-functional theory.
|
||||
The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals."""
|
||||
|
||||
toolchain = {'name': 'NVHPC', 'version': '24.3-CUDA-12.3.0'}
|
||||
import os
|
||||
if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
|
||||
toolchainopts = {'opt': True, 'optarch': 'march=core-avx2'}
|
||||
else:
|
||||
toolchainopts = {'opt': True}
|
||||
|
||||
source_urls = ['https://gitlab.com/libxc/libxc/-/archive/%(version)s/']
|
||||
sources = [SOURCE_TAR_GZ]
|
||||
checksums = [('d1b65ef74615a1e539d87a0e6662f04baf3a2316706b4e2e686da3193b26b20f',
|
||||
'3b0523924579cf494cafc6fea92945257f35692b004217d3dfd3ea7ca780e8dc')]
|
||||
|
||||
builddependencies = [
|
||||
('CMake', '3.24.3', '', ('GCCcore', '12.2.0')),
|
||||
('Perl', '5.36.0', '', ('GCCcore', '12.2.0')),
|
||||
]
|
||||
|
||||
local_common_configopts = "-DENABLE_FORTRAN=ON -DENABLE_XHOST=OFF "
|
||||
|
||||
# don't disable building of third and fourth derivates, since it's required by some software that depends on libxc
|
||||
# (like ABINIT, which requires "3rd derivatives of energy")
|
||||
# see also https://github.com/pyscf/pyscf/issues/1103
|
||||
local_common_configopts += "-DDISABLE_KXC=OFF -DDISABLE_LXC=OFF"
|
||||
|
||||
# perform iterative build to get both static and shared libraries
|
||||
configopts = [
|
||||
local_common_configopts + ' -DBUILD_SHARED_LIBS=OFF',
|
||||
local_common_configopts + ' -DBUILD_SHARED_LIBS=ON',
|
||||
]
|
||||
|
||||
# make sure that built libraries (libxc*.so*) in build directory are picked when running tests
|
||||
# this is required when RPATH linking is used
|
||||
pretestopts = "export LD_LIBRARY_PATH=%(builddir)s/easybuild_obj:$LD_LIBRARY_PATH && "
|
||||
|
||||
runtest = 'test'
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': ['bin/xc-info'] +
|
||||
['lib/libxc%s.%s' % (x, y) for x in ['', 'f03', 'f90'] for y in ['a', SHLIB_EXT]],
|
||||
'dirs': ['include', 'lib/pkgconfig', 'lib/cmake/Libxc'],
|
||||
}
|
||||
|
||||
sanity_check_commands = ['xc-info 1']
|
||||
|
||||
moduleclass = 'chem'
|
||||
40
n/ncurses/ncurses-6.2-foss-2022b.eb
Normal file
40
n/ncurses/ncurses-6.2-foss-2022b.eb
Normal file
@ -0,0 +1,40 @@
|
||||
# IT4Innovations
|
||||
# BS 2024
|
||||
|
||||
easyblock = 'ConfigureMake'
|
||||
|
||||
name = 'ncurses'
|
||||
version = '6.2'
|
||||
|
||||
homepage = 'http://www.gnu.org/software/ncurses/'
|
||||
description = """The Ncurses (new curses) library is a free software emulation of curses in System V Release 4.0,
|
||||
and more. It uses Terminfo format, supports pads and color and multiple highlights and forms characters and
|
||||
function-key mapping, and has all the other SYSV-curses enhancements over BSD Curses."""
|
||||
|
||||
toolchain = {'name': 'foss', 'version': '2022b'}
|
||||
toolchainopts = {'optarch': True, 'pic': True}
|
||||
|
||||
source_urls = [GNU_SOURCE]
|
||||
sources = [SOURCE_TAR_GZ]
|
||||
checksums = ['aa057eeeb4a14d470101eff4597d5833dcef5965331be3528c08d99cebaa0d17']
|
||||
|
||||
buildopts = 'CFLAGS="-O3 -fPIC"'
|
||||
|
||||
configopts = [
|
||||
# default build
|
||||
'--with-shared --enable-overwrite',
|
||||
# the UTF-8 enabled version (ncursesw)
|
||||
'--with-shared --enable-overwrite --enable-ext-colors --enable-widec --includedir=%(installdir)s/include/ncursesw/'
|
||||
]
|
||||
|
||||
local_libs = ["form", "menu", "ncurses", "panel"]
|
||||
sanity_check_paths = {
|
||||
'files': ['bin/%s' % x for x in ["captoinfo", "clear", "infocmp", "infotocap", "ncurses%(version_major)s-config",
|
||||
"reset", "tabs", "tic", "toe", "tput", "tset"]] +
|
||||
['lib/lib%s%s.a' % (x, y) for x in local_libs for y in ['', '_g', 'w', 'w_g']] +
|
||||
['lib/lib%s%s.%s' % (x, y, SHLIB_EXT) for x in local_libs for y in ['', 'w']] +
|
||||
['lib/libncurses++%s.a' % x for x in ['', 'w']],
|
||||
'dirs': ['include', 'include/ncursesw'],
|
||||
}
|
||||
|
||||
moduleclass = 'devel'
|
||||
38
o/OpenVDB/OpenVDB-11.0.0-foss-2022b-Python-3.10.8.eb
Normal file
38
o/OpenVDB/OpenVDB-11.0.0-foss-2022b-Python-3.10.8.eb
Normal file
@ -0,0 +1,38 @@
|
||||
# IT4Innovations
|
||||
# LK 2024
|
||||
|
||||
easyblock = 'CMakeMake'
|
||||
|
||||
name = 'OpenVDB'
|
||||
version = '11.0.0'
|
||||
versionsuffix = '-Python-3.10.8'
|
||||
|
||||
homepage = 'https://github.com/AcademySoftwareFoundation/openvdb'
|
||||
description = """OpenVDB is an open source C++ library comprising a novel hierarchical data structure and a large suite of tools for the efficient storage and manipulation of sparse volumetric data discretized on three-dimensional grids. It was developed by DreamWorks Animation for use in volumetric applications typically encountered in feature film production."""
|
||||
|
||||
toolchain = {'name': 'foss', 'version': '2022b'}
|
||||
|
||||
source_urls = ['https://github.com/AcademySoftwareFoundation/openvdb/archive/refs/tags/']
|
||||
sources = ['v%(version)s.tar.gz']
|
||||
checksums = ['6314ff1db057ea90050763e7b7d7ed86d8224fcd42a82cdbb9c515e001b96c74']
|
||||
|
||||
|
||||
builddependencies = [
|
||||
('CMake', '3.24.3')
|
||||
]
|
||||
|
||||
dependencies = [
|
||||
('Python', '3.10.8'),
|
||||
('tbb', '2021.10.0'),
|
||||
('Boost', '1.81.0'),
|
||||
('Blosc', '1.21.3'),
|
||||
]
|
||||
|
||||
separate_build_dir = True
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': ['bin/vdb_print'],
|
||||
'dirs': ['bin', 'include', 'lib', 'lib64']
|
||||
}
|
||||
|
||||
moduleclass = 'chem'
|
||||
37
o/OpenVDB/OpenVDB-11.0.0-foss-2022b-Python-3.9.9.eb
Normal file
37
o/OpenVDB/OpenVDB-11.0.0-foss-2022b-Python-3.9.9.eb
Normal file
@ -0,0 +1,37 @@
|
||||
# IT4Innovations
|
||||
# BS 2024
|
||||
|
||||
easyblock = 'CMakeMake'
|
||||
|
||||
name = 'OpenVDB'
|
||||
version = '11.0.0'
|
||||
versionsuffix = 'Python-3.9.9'
|
||||
|
||||
homepage = 'https://github.com/AcademySoftwareFoundation/openvdb'
|
||||
description = """OpenVDB is an open source C++ library comprising a novel hierarchical data structure and a large suite of tools for the efficient storage and manipulation of sparse volumetric data discretized on three-dimensional grids. It was developed by DreamWorks Animation for use in volumetric applications typically encountered in feature film production."""
|
||||
|
||||
toolchain = {'name': 'foss', 'version': '2022b'}
|
||||
|
||||
source_urls = ['https://github.com/AcademySoftwareFoundation/openvdb/archive/refs/tags/']
|
||||
sources = ['v%(version)s.tar.gz']
|
||||
checksums = ['914ee417b4607c75c95b53bc73a0599de4157c7d6a32e849e80f24e40fb64181']
|
||||
|
||||
|
||||
builddependencies = [
|
||||
('CMake', '3.20.1')
|
||||
]
|
||||
|
||||
dependencies = [
|
||||
('Python', '3.9.9'),
|
||||
('tbb', '2020.3'),
|
||||
('Boost', '1.74.0'),
|
||||
]
|
||||
|
||||
separate_build_dir = True
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': ['bin/vdb_print'],
|
||||
'dirs': ['bin', 'include', 'lib', 'lib64']
|
||||
}
|
||||
|
||||
moduleclass = 'chem'
|
||||
42
o/OpenVDB/OpenVDB-11.0.0-foss-2022b.eb
Normal file
42
o/OpenVDB/OpenVDB-11.0.0-foss-2022b.eb
Normal file
@ -0,0 +1,42 @@
|
||||
# IT4Innovations
|
||||
# BS 2024
|
||||
|
||||
easyblock = 'CMakeMake'
|
||||
|
||||
name = 'OpenVDB'
|
||||
version = '11.0.0'
|
||||
#versionsuffix = 'Python-3.11.5-GCCcore-13.2.0'
|
||||
|
||||
homepage = 'https://github.com/AcademySoftwareFoundation/openvdb'
|
||||
description = """OpenVDB is an open source C++ library comprising a novel hierarchical data structure and a large suite of tools for the efficient storage and manipulation of sparse volumetric data discretized on three-dimensional grids. It was developed by DreamWorks Animation for use in volumetric applications typically encountered in feature film production."""
|
||||
|
||||
toolchain = {'name': 'foss', 'version': '2022b'}
|
||||
|
||||
toolchainopts = {'usempi': True, 'pic': True}
|
||||
|
||||
source_urls = ['https://github.com/AcademySoftwareFoundation/openvdb/archive/refs/tags/']
|
||||
sources = ['v%(version)s.tar.gz']
|
||||
checksums = ['914ee417b4607c75c95b53bc73a0599de4157c7d6a32e849e80f24e40fb64181']
|
||||
|
||||
|
||||
builddependencies = [
|
||||
('CMake', '3.20.1'),
|
||||
('GCC', '13.2.0'),
|
||||
]
|
||||
|
||||
dependencies = [
|
||||
#('GCC', '13.2.0'),
|
||||
('Python', '3.11.5'),
|
||||
('tbb', '2020.3'),
|
||||
('Boost', '1.77.0'),
|
||||
]
|
||||
|
||||
|
||||
separate_build_dir = True
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': ['bin/vdb_print'],
|
||||
'dirs': ['bin', 'include', 'lib', 'lib64']
|
||||
}
|
||||
|
||||
moduleclass = 'chem'
|
||||
72
p/Python/Python-3.11.5-foss-2022b.eb
Normal file
72
p/Python/Python-3.11.5-foss-2022b.eb
Normal file
@ -0,0 +1,72 @@
|
||||
#IT4Innovations
|
||||
#BS 2024
|
||||
|
||||
name = 'Python'
|
||||
version = '3.11.5'
|
||||
|
||||
homepage = 'https://python.org/'
|
||||
description = """Python is a programming language that lets you work more quickly and integrate your systems
|
||||
more effectively."""
|
||||
|
||||
toolchain = {'name': 'foss', 'version': '2022b'}
|
||||
toolchainopts = {'pic': True}
|
||||
|
||||
source_urls = ['https://www.python.org/ftp/%(namelower)s/%(version)s/']
|
||||
sources = [SOURCE_TGZ]
|
||||
checksums = ['a12a0a013a30b846c786c010f2c19dd36b7298d888f7c4bd1581d90ce18b5e58']
|
||||
|
||||
builddependencies = [
|
||||
('UnZip', '6.0', '-GCCcore-13.2.0'),
|
||||
('pkgconf', '2.0.3', '-GCCcore-13.2.0'),
|
||||
]
|
||||
|
||||
dependencies = [
|
||||
('binutils', '2.40', '-GCCcore-13.2.0'),
|
||||
('bzip2', '1.0.8', '-GCCcore-13.2.0'), # required for bz2 package in Python stdlib
|
||||
('zlib', '1.2.13', '-GCCcore-13.2.0'),
|
||||
('libreadline', '8.2', '-GCCcore-13.2.0'),
|
||||
('ncurses', '6.4', '-GCCcore-13.2.0'),
|
||||
('SQLite', '3.43.1', '-GCCcore-13.2.0'),
|
||||
('XZ', '5.4.4', '-GCCcore-13.2.0'),
|
||||
('libffi', '3.4.4', '-GCCcore-13.2.0'),
|
||||
]
|
||||
|
||||
install_pip = True
|
||||
|
||||
exts_default_options = {
|
||||
'download_dep_fail': True,
|
||||
'sanity_pip_check': True,
|
||||
'source_urls': [PYPI_SOURCE],
|
||||
'use_pip': True,
|
||||
}
|
||||
|
||||
# order is important!
|
||||
# package versions updated 2023-09-28
|
||||
exts_list = [
|
||||
('flit_core', '3.9.0', {
|
||||
'checksums': ['72ad266176c4a3fcfab5f2930d76896059851240570ce9a98733b658cb786eba'],
|
||||
}),
|
||||
('wheel', '0.41.2', {
|
||||
'checksums': ['0c5ac5ff2afb79ac23ab82bab027a0be7b5dbcf2e54dc50efe4bf507de1f7985'],
|
||||
}),
|
||||
('tomli', '2.0.1', {
|
||||
'checksums': ['de526c12914f0c550d15924c62d72abc48d6fe7364aa87328337a31007fe8a4f'],
|
||||
}),
|
||||
('packaging', '23.2', {
|
||||
'checksums': ['048fb0e9405036518eaaf48a55953c750c11e1a1b68e0dd1a9d62ed0c092cfc5'],
|
||||
}),
|
||||
('typing_extensions', '4.8.0', {
|
||||
'checksums': ['df8e4339e9cb77357558cbdbceca33c303714cf861d1eef15e1070055ae8b7ef'],
|
||||
}),
|
||||
('setuptools-scm', '8.0.4', {
|
||||
'checksums': ['b5f43ff6800669595193fd09891564ee9d1d7dcb196cab4b2506d53a2e1c95c7'],
|
||||
}),
|
||||
('setuptools', '68.2.2', {
|
||||
'checksums': ['4ac1475276d2f1c48684874089fefcd83bd7162ddaafb81fac866ba0db282a87'],
|
||||
}),
|
||||
('pip', '23.2.1', {
|
||||
'checksums': ['fb0bd5435b3200c602b5bf61d2d43c2f13c02e29c1707567ae7fbc514eb9faf2'],
|
||||
}),
|
||||
]
|
||||
|
||||
moduleclass = 'lang'
|
||||
69
p/Python/Python-3.9.9.eb
Normal file
69
p/Python/Python-3.9.9.eb
Normal file
@ -0,0 +1,69 @@
|
||||
# IT4Innovations 2024
|
||||
#BS
|
||||
|
||||
name = 'Python'
|
||||
version = '3.9.9'
|
||||
|
||||
homepage = 'http://python.org/'
|
||||
description = """Python is a programming language that lets you work more quickly and integrate your systems
|
||||
more effectively."""
|
||||
|
||||
toolchain = SYSTEM
|
||||
toolchainopts = {'pic': True}
|
||||
|
||||
source_urls = ['http://www.python.org/ftp/%(namelower)s/%(version)s/']
|
||||
sources = [SOURCE_TGZ]
|
||||
|
||||
checksums = ['914ee417b4607c75c95b53bc73a0599de4157c7d6a32e849e80f24e40fb64181']
|
||||
|
||||
dependencies = [
|
||||
('bzip2', '1.0.8'), # required for bz2 package in Python stdlib
|
||||
('zlib', '1.2.11'),
|
||||
('libreadline', '8.0'),
|
||||
('ncurses', '6.1'),
|
||||
('SQLite', '3.27.2'),
|
||||
('XZ', '5.2.5'),
|
||||
('GMP', '6.1.2'), # required for pycrypto
|
||||
('libffi', '3.2.1'), # required for cryptography
|
||||
# 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
|
||||
# Python 3.7 requires OpenSSL >= 1.0.2, uncomment line below if OS version is too old (e.g. CentOS 6)
|
||||
# ('OpenSSL', '1.1.0j'),
|
||||
]
|
||||
|
||||
configopts = '--enable-loadable-sqlite-extensions '
|
||||
|
||||
#osdependencies = [('openssl-devel', 'libssl-dev', 'libopenssl-devel')]
|
||||
|
||||
# symlink 'pip' command to 'pip3' that is included with Python installation
|
||||
# required so we can update pip to version included in extensions, using pip
|
||||
installopts = " && ln -s %(installdir)s/bin/pip3 %(installdir)s/bin/pip"
|
||||
|
||||
exts_default_options = {
|
||||
'download_dep_fail': True,
|
||||
'use_pip': True,
|
||||
}
|
||||
|
||||
# order is important!
|
||||
# package versions updated Mar 15th 2019
|
||||
exts_list = [
|
||||
('pip', '20.2.4', {
|
||||
'source_urls': ['https://pypi.python.org/packages/source/p/pip/'],
|
||||
'checksums': ['6e6f197a1abfb45118dbb878b5c859a0edbdd33fd250100bc015b67fded4b9f2'],
|
||||
# don't use --ignore-installed, i.e. let pip remove older pip version included with Python
|
||||
'pip_ignore_installed': False,
|
||||
}),
|
||||
('setuptools', '40.8.0', {
|
||||
'source_tmpl': '%(name)s-%(version)s.zip',
|
||||
'source_urls': ['https://pypi.python.org/packages/source/s/setuptools/'],
|
||||
'checksums': ['6e4eec90337e849ade7103723b9a99631c1f0d19990d6e8412dc42f5ae8b304d'],
|
||||
# don't use --ignore-installed, i.e. let pip remove older setuptools version included with Python
|
||||
'pip_ignore_installed': False,
|
||||
}),
|
||||
('nose', '1.3.7', {
|
||||
'source_urls': ['https://pypi.python.org/packages/source/n/nose/'],
|
||||
'checksums': ['f1bffef9cbc82628f6e7d7b40d7e255aefaa1adb6a1b1d26c69a8b79e6208a98'],
|
||||
}),
|
||||
]
|
||||
|
||||
moduleclass = 'lang'
|
||||
@ -1,9 +1,10 @@
|
||||
# IT4Innovations
|
||||
# LK 2024
|
||||
|
||||
easyblock = 'CMakeMake'
|
||||
|
||||
name = 'QuantumESPRESSO'
|
||||
version = '7.2'
|
||||
versionsuffix = '-gpu'
|
||||
version = '7.3.1'
|
||||
|
||||
homepage = 'https://www.quantum-espresso.org'
|
||||
description = """Quantum ESPRESSO is an integrated suite of computer codes
|
||||
@ -12,13 +13,13 @@ It is based on density-functional theory, plane waves, and pseudopotentials
|
||||
(both norm-conserving and ultrasoft).
|
||||
"""
|
||||
|
||||
toolchain = {'name': 'intel', 'version': '2023b'}
|
||||
toolchain = {'name': 'NVHPC', 'version': '24.3-CUDA-12.3.0'}
|
||||
|
||||
import os
|
||||
if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
|
||||
toolchainopts = {'usempi': True, 'openmp': True, 'optarch': 'march=core-avx2'}
|
||||
toolchainopts = {'pic': True, 'optarch': 'march=core-avx2'}
|
||||
else:
|
||||
toolchainopts = {'usempi': True, 'openmp': True}
|
||||
toolchainopts = {'pic': True}
|
||||
|
||||
if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
|
||||
prebuildopts = "echo %(builddir)s && while read i; do echo $i; sed 's|-xHost|-march=core-avx2|g' -i $i; done < <(grep xHost %(builddir)s -R | cut -d ':' -f 1 | sort -u) && "
|
||||
@ -35,25 +36,34 @@ sources = [
|
||||
{'filename': 'wannier90-3.1.0.tar.gz', 'download_filename': 'v3.1.0.tar.gz'},
|
||||
]
|
||||
checksums = [
|
||||
'b348a4a7348b66a73545d9ca317a2645755c98d343c1cfe8def475ad030808c0', # qe-%(version)s.tar.gz
|
||||
'c27e4277287b519de2c45189d5509a0962c8edf2d7e16994f671c2c9d4731e05', # qe-gipaw-%(version)s.tar.gz
|
||||
'2c58b8fadfe4177de5a8b69eba447db5e623420b070dea6fd26c1533b081d844', # qe-%(version)s.tar.gz
|
||||
'2dee75ecf7d0f4c65047b7ef6a8af54f091cc4cf63e764a1f039ead087f2a3e8', # qe-gipaw-%(version)s.tar.gz
|
||||
'40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254', # wannier90-3.1.0.tar.gz
|
||||
]
|
||||
|
||||
dependencies = [
|
||||
('HDF5', '1.14.3'),
|
||||
('ELPA', '2023.11.001'),
|
||||
('libxc', '6.2.2'),
|
||||
('CUDA', '12.4.0', '', True),
|
||||
('FFTW', '3.3.10'),
|
||||
('OpenMPI', '4.1.6'),
|
||||
('CMake', '3.24.3', '', ('GCCcore', '12.2.0')),
|
||||
]
|
||||
|
||||
# config
|
||||
configopts = '–with-cuda'
|
||||
configopts = 'FC=pgfortran F77=pgfortran F90=pgfortran CC=pgcc CXX=pgc++ '
|
||||
configopts += '-DQE_ENABLE_CUDA=ON -DQE_ENABLE_MPI_GPU_AWARE=ON '
|
||||
configopts += '-DNVFORTRAN_CUDA_VERSION=12.3 '
|
||||
|
||||
import os
|
||||
if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
|
||||
configopts += '-DNVFORTRAN_CUDA_CC=80 '
|
||||
elif os.environ.get("CLUSTERNAME") in ["BARBORA"]:
|
||||
configopts += '-DNVFORTRAN_CUDA_CC=70 '
|
||||
|
||||
# The third party packages should be installed separately and added as
|
||||
# dependencies. The exception is w90, which is force built, and gipaw
|
||||
# which depends on qe source
|
||||
buildopts = 'all gwl xspectra couple epw gipaw w90'
|
||||
buildopts = 'all gwl xspectra couple epw w90'
|
||||
|
||||
# parallel build tends to fail
|
||||
parallel = 1
|
||||
@ -20,6 +20,8 @@ sources = [
|
||||
'sqlite-amalgamation-%s.zip' % local_version_str,
|
||||
]
|
||||
|
||||
checksums = ['914ee417b4607c75c95b53bc73a0599de4157c7d6a32e849e80f24e40fb64181', '914ee417b4607c75c95b53bc73a0599de4157c7d6a32e849e80f24e40fb64181']
|
||||
|
||||
dependencies = [
|
||||
('libreadline', '8.0'),
|
||||
('Tcl', '8.6.9'),
|
||||
|
||||
@ -14,6 +14,8 @@ toolchain = SYSTEM
|
||||
source_urls = ["http://prdownloads.sourceforge.net/tcl"]
|
||||
sources = ['%(namelower)s%(version)s-src.tar.gz']
|
||||
|
||||
checksums = ['914ee417b4607c75c95b53bc73a0599de4157c7d6a32e849e80f24e40fb64181']
|
||||
|
||||
dependencies = [
|
||||
('zlib', '1.2.11'),
|
||||
]
|
||||
|
||||
62
t/TurboVNC/TurboVNC-3.1.1-GCCcore-13.2.0.eb
Normal file
62
t/TurboVNC/TurboVNC-3.1.1-GCCcore-13.2.0.eb
Normal file
@ -0,0 +1,62 @@
|
||||
# IT4Innovations
|
||||
# LK 2024
|
||||
|
||||
easyblock = 'CMakeMake'
|
||||
|
||||
name = 'TurboVNC'
|
||||
version = '3.1.1'
|
||||
|
||||
homepage = 'https://www.turbovnc.org'
|
||||
description = """TurboVNC is a derivative of VNC (Virtual Network Computing) that is tuned to provide
|
||||
peak performance for 3D and video workloads."""
|
||||
|
||||
toolchain = {'name': 'GCCcore', 'version': '13.2.0'}
|
||||
|
||||
source_urls = ['https://github.com/TurboVNC/turbovnc/archive']
|
||||
sources = ['%(version)s.tar.gz']
|
||||
checksums = [
|
||||
'834392e985cf29a6d7d3b21b6b95b8249c1390f2c4bbf716e03945ca9384bbc8', # 3.0.1.tar.gz
|
||||
]
|
||||
|
||||
builddependencies = [
|
||||
('CMake', '3.27.6'),
|
||||
('binutils', '2.40'),
|
||||
]
|
||||
|
||||
dependencies = [
|
||||
('Java', '11', '', SYSTEM),
|
||||
('X11', '20231019'),
|
||||
('pixman', '0.42.2'),
|
||||
('libjpeg-turbo', '3.0.1'),
|
||||
('Mesa', '23.1.9'),
|
||||
('libGLU', '9.0.3'),
|
||||
('libglvnd', '1.7.0'),
|
||||
]
|
||||
|
||||
configopts = "-DTVNC_BUILDJAVA=0 -DTVNC_SYSTEMX11=1 "
|
||||
configopts += "-DX11_X11_LIB=$EBROOTX11/lib/libX11.%s " % SHLIB_EXT
|
||||
configopts += "-DX11_Xau_LIB=$EBROOTX11/lib/libXau.%s " % SHLIB_EXT
|
||||
configopts += "-DX11_SM_LIB=$EBROOTX11/lib/libSM.%s " % SHLIB_EXT
|
||||
configopts += "-DX11_ICE_LIB=$EBROOTX11/lib/libICE.%s " % SHLIB_EXT
|
||||
configopts += "-DX11_Pixman_LIB=$EBROOTPIXMAN/lib/libpixman-1.%s.0 " % SHLIB_EXT
|
||||
configopts += "-DOPENGL_glu_LIBRARY=$EBROOTLIBGLU/lib/libGLU.%s " % SHLIB_EXT
|
||||
configopts += "-DOPENGL_egl_LIBRARY=$EBROOTLIBGLVND/lib/libEGL.%s " % SHLIB_EXT
|
||||
configopts += "-DOPENGL_opengl_LIBRARY=$EBROOTLIBGLVND/lib/libOpenGL.%s " % SHLIB_EXT
|
||||
configopts += "-DOPENGL_glx_LIBRARY=$EBROOTLIBGLVND/lib/libGLX.%s " % SHLIB_EXT
|
||||
|
||||
# if installdir starts with /opt, i.e. /opt/xxx, CMake will set SYSCONFDIR to /etc/opt/xxx instead of /opt/xxx/etc
|
||||
# https://cmake.org/cmake/help/latest/module/GNUInstallDirs.html
|
||||
# the solution is to define CMAKE_INSTALL_SYSCONFDIR explicitly
|
||||
configopts += "-DCMAKE_INSTALL_SYSCONFDIR=%(installdir)s/etc "
|
||||
|
||||
# remove etc/turbovncserver-security.conf, to avoid errors like:
|
||||
# (EE) Fatal server error:
|
||||
# (EE) ERROR: .../TurboVNC/2.2.3-GCCcore-8.2.0/etc/turbovncserver-security.conf must be owned by you or by root
|
||||
postinstallcmds = ["rm -rf %(installdir)s/etc/turbovncserver-security.conf"]
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': ['bin/vncserver', 'bin/vncpasswd', 'bin/Xvnc'],
|
||||
'dirs': [],
|
||||
}
|
||||
|
||||
moduleclass = 'vis'
|
||||
26
z/zlib/zlib-1.2.10-foss-2022b.eb
Normal file
26
z/zlib/zlib-1.2.10-foss-2022b.eb
Normal file
@ -0,0 +1,26 @@
|
||||
# IT4Innovations
|
||||
# BS 2024
|
||||
|
||||
easyblock = 'ConfigureMake'
|
||||
|
||||
name = 'zlib'
|
||||
version = '1.2.10'
|
||||
|
||||
homepage = 'https://www.zlib.net/'
|
||||
description = """zlib is designed to be a free, general-purpose, legally unencumbered -- that is,
|
||||
not covered by any patents -- lossless data-compression library for use on virtually any
|
||||
computer hardware and operating system."""
|
||||
|
||||
toolchain = {'name': 'foss', 'version': '2022b'}
|
||||
#toolchainopts = {'pic': True}
|
||||
|
||||
source_urls = ['https://zlib.net/fossils']
|
||||
sources = [SOURCELOWER_TAR_GZ]
|
||||
checksums = ['c3e5e9fdd5004dcb542feda5ee4f0ff0744628baf8ed2dd5d66f8ca1197cb1a1']
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': ['include/zconf.h', 'include/zlib.h', 'lib/libz.a', 'lib/libz.%s' % SHLIB_EXT],
|
||||
'dirs': [],
|
||||
}
|
||||
|
||||
moduleclass = 'lib'
|
||||
26
z/zlib/zlib-1.2.11-foss-2022b.eb
Normal file
26
z/zlib/zlib-1.2.11-foss-2022b.eb
Normal file
@ -0,0 +1,26 @@
|
||||
# IT4Innovations
|
||||
# BS 2024
|
||||
|
||||
easyblock = 'CMakeMake'
|
||||
|
||||
name = 'zlib'
|
||||
version = '1.2.11'
|
||||
|
||||
homepage = 'https://www.zlib.net/'
|
||||
description = """zlib is designed to be a free, general-purpose, legally unencumbered -- that is,
|
||||
not covered by any patents -- lossless data-compression library for use on virtually any
|
||||
computer hardware and operating system."""
|
||||
|
||||
toolchain = {'name': 'foss', 'version': '2022b'}
|
||||
#toolchainopts = {'pic': True}
|
||||
|
||||
source_urls = ['https://zlib.net/fossils']
|
||||
sources = [SOURCELOWER_TAR_GZ]
|
||||
checksums = ['c3e5e9fdd5004dcb542feda5ee4f0ff0744628baf8ed2dd5d66f8ca1197cb1a1']
|
||||
|
||||
sanity_check_paths = {
|
||||
'files': ['include/zconf.h', 'include/zlib.h', 'lib/libz.a', 'lib/libz.%s' % SHLIB_EXT],
|
||||
'dirs': [],
|
||||
}
|
||||
|
||||
moduleclass = 'lib'
|
||||
Loading…
x
Reference in New Issue
Block a user