From f29ec51d0a09331eedf0ec19d8c6cb00da311142 Mon Sep 17 00:00:00 2001 From: Lukas Krupcik Date: Thu, 9 May 2024 11:03:55 +0200 Subject: [PATCH] modified: p/PROJ_4/PROJ_4-4.9.2.eb new file: p/Python/Python-3.11.5-GCCcore-13.2.0-Qiskit.eb new file: q/Qiskit/Qiskit-1.0.2-foss-2021a.eb new file: q/Quandl/Quandl-3.6.1-foss-2021a.eb --- p/PROJ_4/PROJ_4-4.9.2.eb | 1 + .../Python-3.11.5-GCCcore-13.2.0-Qiskit.eb | 74 +++++++++ q/Qiskit/Qiskit-1.0.2-foss-2021a.eb | 154 ++++++++++++++++++ q/Quandl/Quandl-3.6.1-foss-2021a.eb | 40 +++++ 4 files changed, 269 insertions(+) create mode 100644 p/Python/Python-3.11.5-GCCcore-13.2.0-Qiskit.eb create mode 100644 q/Qiskit/Qiskit-1.0.2-foss-2021a.eb create mode 100644 q/Quandl/Quandl-3.6.1-foss-2021a.eb diff --git a/p/PROJ_4/PROJ_4-4.9.2.eb b/p/PROJ_4/PROJ_4-4.9.2.eb index cb49f36e..33132721 100644 --- a/p/PROJ_4/PROJ_4-4.9.2.eb +++ b/p/PROJ_4/PROJ_4-4.9.2.eb @@ -11,5 +11,6 @@ toolchain = SYSTEM sources = ['%(version)s.tar.gz'] source_urls = ['https://github.com/OSGeo/proj.4/archive/'] +checksums = ['9ce4821a017a2b189b68c28fdb57ddd3f062635893b7fb1a1a9affe327ad15d6'] moduleclass = 'geo' diff --git a/p/Python/Python-3.11.5-GCCcore-13.2.0-Qiskit.eb b/p/Python/Python-3.11.5-GCCcore-13.2.0-Qiskit.eb new file mode 100644 index 00000000..ff5328ef --- /dev/null +++ b/p/Python/Python-3.11.5-GCCcore-13.2.0-Qiskit.eb @@ -0,0 +1,74 @@ +# IT4Innovations +# LK 2024 + +name = 'Python' +version = '3.11.5' +versionsuffix = "-Qiskit" + +homepage = 'https://python.org/' +description = """Python is a programming language that lets you work more quickly and integrate your systems + more effectively.""" + +toolchain = {'name': 'GCCcore', 'version': '13.2.0'} +toolchainopts = {'pic': True} + +source_urls = ['https://www.python.org/ftp/%(namelower)s/%(version)s/'] +sources = [SOURCE_TGZ] +checksums = ['a12a0a013a30b846c786c010f2c19dd36b7298d888f7c4bd1581d90ce18b5e58'] + +builddependencies = [ + ('UnZip', '6.0'), + ('pkgconf', '2.0.3'), +] + +dependencies = [ + ('binutils', '2.40'), + ('bzip2', '1.0.8'), # required for bz2 package in Python stdlib + ('zlib', '1.2.13'), + ('libreadline', '8.2'), + ('ncurses', '6.4'), + ('SQLite', '3.43.1'), + ('XZ', '5.4.4'), + ('libffi', '3.4.4'), + ('OpenSSL', '1.1', '', SYSTEM), +] + +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' diff --git a/q/Qiskit/Qiskit-1.0.2-foss-2021a.eb b/q/Qiskit/Qiskit-1.0.2-foss-2021a.eb new file mode 100644 index 00000000..53146243 --- /dev/null +++ b/q/Qiskit/Qiskit-1.0.2-foss-2021a.eb @@ -0,0 +1,154 @@ +# IT4Innovations +# LK 2024 + +easyblock = 'PythonBundle' + +name = 'Qiskit' +version = '1.0.2' + +homepage = 'https://qiskit.org' +description = """Qiskit is an open-source framework for working with noisy quantum computers + at the level of pulses, circuits, and algorithms.""" + +toolchain = {'name': 'foss', 'version': '2021a'} +toolchainopts = {'lowopt': True, 'vectorize': False, 'debug': True} + +builddependencies = [ + # required for building/installing qiskit-aer + ('CMake', '3.20.1'), + ('Ninja', '1.10.2'), + ('scikit-build', '0.11.1'), + ('pybind11', '2.6.2'), +] + +dependencies = [ + ('Python', '3.9.5'), + ('SciPy-bundle', '2021.05'), + ('sympy', '1.8'), + ('numba', '0.53.1'), + ('dill', '0.3.4'), + ('h5py', '3.2.1'), + ('retworkx', '0.9.0'), + ('networkx', '2.5.1'), + ('scikit-learn', '0.24.2'), + ('CVXOPT', '1.2.6'), + ('Quandl', '3.6.1'), + ('PySCF', '1.7.6'), + ('SymEngine-python', '0.7.2'), + ('lxml', '4.6.3'), + ('nlohmann_json', '3.10.0'), + ('spdlog', '1.9.2'), + ('muparserx', '4.0.8'), +] + +use_pip = True +sanity_pip_check = True +preinstallopts = 'export DISABLE_CONAN=ON &&' + +exts_list = [ + ('marshmallow', '3.13.0', { + 'checksums': ['c67929438fd73a2be92128caa0325b1b5ed8b626d91a094d2f7f2771bf1f1c0e'], + }), + ('ply', '3.11', { + 'checksums': ['00c7c1aaa88358b9c765b6d3000c6eec0ba42abca5351b095321aef446081da3'], + }), + ('marshmallow-polyfield', '5.10', { + 'checksums': ['75d0e31b725650e91428f975a66ed30f703cc6f9fcfe45b8436ee6d676921691'], + }), + ('pylatexenc', '2.10', { + 'checksums': ['3dd8fd84eb46dc30bee1e23eaab8d8fb5a7f507347b23e5f38ad9675c84f40d3'], + }), + ('fastdtw', '0.3.4', { + 'checksums': ['2350fa6ec36bcad186eaf81f46eff35181baf04e324f522de8aeb43d0243f64f'], + }), + ('dlx', '1.0.4', { + 'checksums': ['ef75bc9d590216ebde7d4811f9ae6b2d6c6dc2a54772d94ae13384dc517a5aae'], + }), + ('docloud', '1.0.375', { + 'checksums': ['996d55407498fd01e6c6c480f367048f92255e9ca9db0e9ea19aaef91328a441'], + }), + ('docplex', '2.22.213', { + 'checksums': ['8a86bba42b5b65f2e0f88ed350115efeb783b444661e2cfcf3a67d5c59bcb0bd'], + }), + ('websockets', '10.0', { + 'checksums': ['c4fc9a1d242317892590abe5b61a9127f1a61740477bfb121743f290b8054002'], + }), + ('ntlm-auth', '1.5.0', { + 'checksums': ['c9667d361dc09f6b3750283d503c689070ff7d89f2f6ff0d38088d5436ff8543'], + }), + ('requests_ntlm', '1.1.0', { + 'checksums': ['9189c92e8c61ae91402a64b972c4802b2457ce6a799d658256ebf084d5c7eb71'], + }), + ('nest-asyncio', '1.5.1', { + 'source_tmpl': 'nest_asyncio-%(version)s.tar.gz', + 'checksums': ['afc5a1c515210a23c461932765691ad39e8eba6551c055ac8d5546e69250d0aa'], + }), + ('ply', '3.11', { + 'checksums': ['00c7c1aaa88358b9c765b6d3000c6eec0ba42abca5351b095321aef446081da3'], + }), + ('python-constraint', '1.4.0', { + 'modulename': 'constraint', + 'source_tmpl': '%(name)s-%(version)s.tar.bz2', + 'checksums': ['501d6f17afe0032dfc6ea6c0f8acc12e44f992733f00e8538961031ef27ccb8e'], + }), + ('sparse', '0.13.0', { + 'checksums': ['685dc994aa770ee1b23f2d5392819c8429f27958771f8dceb2c4fb80210d5915'], + }), + ('fastjsonschema', '2.15.1', { + 'checksums': ['671f36d225b3493629b5e789428660109528f373cf4b8a22bac6fa2f8191c2d2'], + }), +# ('tweedledum', '1.1.1', { +# 'checksums': ['58d6f7a988b10c31be3faa1faf3e58288ef7e8159584bfa6ded45742f390309f'], +# }), + ('websocket-client', '1.2.1', { + 'modulename': 'websocket', + 'checksums': ['8dfb715d8a992f5712fff8c843adae94e22b22a99b2c5e6b0ec4a1a981cc4e0d'], + }), + ('multitasking', '0.0.9', { + 'checksums': ['b59d99f709d2e17d60ccaa2be09771b6e9ed9391c63f083c0701e724f624d2e0'], + }), + ('yfinance', '0.1.63', { + 'checksums': ['11364fe94f1cf7811c45fc620acb61c8c45fcb88de317c7718bbdbc9c1573a4c'], + }), + ('qiskit-terra', '0.46.1', { + 'modulename': 'qiskit.qobj', + 'checksums': ['9fe20d23cb59cefcda66f9d2b9c3e6c6d532887637568bbc80b2c1d36bff3c0f'], + }), + ('qiskit-ignis', '0.7.1', { + 'modulename': 'qiskit.ignis', + 'checksums': ['71efb17933717c0b8161a291ebd4f8d4fe8d7dfd1fdc66fa23a0b6d14fd10cf3'], + }), + ('qiskit-ibmq-provider', '0.20.2', { + 'modulename': 'qiskit.providers.ibmq', + 'checksums': ['f343025ca1ddaa6aad071e53f5b4c60df798aff0f3681266a8de35e933e61a9c'], + }), + ('qiskit-optimization', '0.6.1', { + 'modulename': 'qiskit_optimization', + 'checksums': ['0ad8c2bc83fe80657c788b5f282ce4055d0ec005c4876789e5069499ee3c00c0'], + }), + ('qiskit-finance', '0.4.1', { + 'modulename': 'qiskit_finance', + 'checksums': ['dd9559775918f79f4c5f31577a73cf5f135d1911e6601ebcc1ade3901949908d'], + }), + ('qiskit-nature', '0.7.2', { + 'modulename': 'qiskit_nature', + 'checksums': ['621b9bb88c0fa4c705948af86e3ef7d36bb8e7aa11b95801264527de58fcd694'], + }), + ('qiskit-machine-learning', '0.7.2', { + 'modulename': 'qiskit_machine_learning', + 'checksums': ['cd0a7cc562304ff74d4151d627d163a02d2f1d83e61e35b97e0a913141237964'], + }), + ('qiskit-aqua', '0.9.5', { + 'modulename': 'qiskit.aqua', + 'checksums': ['3ae50cfb008726e9862a17ba49d23bf987bc918239149db36f51c0f94e9cd36d'], + }), + ('qiskit-aer', '0.14.0.1', { + 'modulename': 'qiskit.providers.aer', + 'checksums': ['66dc7b5f35fa49d25926fcf67769d15096b0c9763bbedc4e16b71afc8c25c8aa'], + }), + ('qiskit', version, { + 'checksums': ['f0480adb1379a5799dde6571d4f717f58909c24100125b6f6addaf123613aee2'], + }), +] + +moduleclass = 'quantum' diff --git a/q/Quandl/Quandl-3.6.1-foss-2021a.eb b/q/Quandl/Quandl-3.6.1-foss-2021a.eb new file mode 100644 index 00000000..7abe3c02 --- /dev/null +++ b/q/Quandl/Quandl-3.6.1-foss-2021a.eb @@ -0,0 +1,40 @@ +# IT4Innovations +# LK 2024 + +easyblock = 'PythonBundle' + +name = 'Quandl' +version = '3.6.1' + +homepage = 'https://pypi.python.org/pypi/Quandl' +description = "A Python library for Quandl’s RESTful API." + +toolchain = {'name': 'foss', 'version': '2021a'} + +dependencies = [ + ('Python', '3.9.5'), + ('SciPy-bundle', '2021.05'), +] + +use_pip = True +#sanity_pip_check = True + +exts_list = [ + ('inflection', '0.5.1', { + 'checksums': ['1a29730d366e996aaacffb2f1f1cb9593dc38e2ddd30c91250c6dde09ea9b417'], + }), + ('pyOpenSSL', '20.0.1', { + 'modulename': 'OpenSSL', + 'checksums': ['4c231c759543ba02560fcd2480c48dcec4dae34c9da7d3747c508227e0624b51'], + }), + ('ndg-httpsclient', '0.5.1', { + 'modulename': 'ndg', + 'source_tmpl': 'ndg_httpsclient-%(version)s.tar.gz', + 'checksums': ['d72faed0376ab039736c2ba12e30695e2788c4aa569c9c3e3d72131de2592210'], + }), + (name, version, { + 'checksums': ['84414e5f8e870a9c8a9392e9dc639d50e839c5f5e07737a09bb57dd8b14b264b'], + }), +] + +moduleclass = 'tools'