diff --git a/e/Eigen/Eigen-3.3.7.eb b/e/Eigen/Eigen-3.3.7.eb index 390759b6..04898ad6 100644 --- a/e/Eigen/Eigen-3.3.7.eb +++ b/e/Eigen/Eigen-3.3.7.eb @@ -11,6 +11,7 @@ toolchain = SYSTEM source_urls = ['http://bitbucket.org/%(namelower)s/%(namelower)s/get'] sources = ['%(version)s.tar.bz2'] +checksums = ['9f13cf90dedbe3e52a19f43000d71fdf72e986beb9a5436dddcd61ff9d77a3ce'] dependencies = [ ('CMake', '3.16.2'), diff --git a/o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0.eb b/o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0-test.eb similarity index 90% rename from o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0.eb rename to o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0-test.eb index 54542c9a..bb131024 100644 --- a/o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0.eb +++ b/o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0-test.eb @@ -5,6 +5,7 @@ easyblock = 'ConfigureMake' name = 'OpenMPI' version = '4.0.5' +versionsuffix = '-test' homepage = 'http://www.open-mpi.org/' description = """The Open MPI Project is an open source MPI-2 implementation.""" @@ -12,15 +13,16 @@ description = """The Open MPI Project is an open source MPI-2 implementation.""" toolchain = {'name': 'GCC', 'version': '10.2.0'} source_urls = ['https://github.com/open-mpi/ompi/archive/'] -sources = ['v4.0.4.tar.gz'] +sources = ['v4.0.5.tar.gz'] +checksums = ['8b36b4447c3ba54ab8c708253836bfae4dde06e7814087d6580e8d6b0b302f70'] dependencies = [ ('hwloc', '2.2.0'), ('zlib', '1.2.11'), ('UCX', '1.9.0',), - ('libfabric', '1.11.0'), - ('PMIx', '3.1.5'), - ('libevent', '2.1.12'), +# ('libfabric', '1.11.0'), +# ('PMIx', '3.1.5'), +# ('libevent', '2.1.12'), ] preconfigopts = './autogen.pl && ' diff --git a/q/Qiskit/Qiskit-0.39.4-foss-2021a.eb b/q/Qiskit/Qiskit-0.39.4-foss-2021a.eb new file mode 100644 index 00000000..bc4ccf27 --- /dev/null +++ b/q/Qiskit/Qiskit-0.39.4-foss-2021a.eb @@ -0,0 +1,159 @@ +# IT4Innovations +# LK 2022 + +easyblock = 'PythonBundle' + +name = 'Qiskit' +version = '0.39.4' + +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', '0.21.0', { + 'modulename': 'qiskit.qobj', + #patches': ['qiskit-terra-0.18.3_fix-qiskit-version-env.patch'], + 'checksums': [ + '62f538ac17b9530bd84393c8eb8b921b', # qiskit-terra-0.18.3.tar.gz + # qiskit-terra-0.18.3_fix-qiskit-version-env.patch + '1296cc650a7d4d2d908a6a5de6b4ce52106748464a54d47744a4648494f4c24e', + ], + }), + ('qiskit-ignis', '0.6.0', { + 'modulename': 'qiskit.ignis', + 'checksums': ['b41bbbc90a042f89d1a5bb01100d59d72facdfe18cb9fc336af74f0e94aae7fc'], + }), + ('qiskit-ibmq-provider', '0.19.2', { + 'modulename': 'qiskit.providers.ibmq', + 'checksums': ['5ab2b93441cd090cf3ea7052acdf3289'], + }), + ('qiskit-optimization', '0.2.3', { + 'modulename': 'qiskit_optimization', + 'checksums': ['939c994adbb599b5039abccda70afca4da7becc21ef5ebbe3cd5d5ef71ddefce'], + }), + ('qiskit-finance', '0.2.1', { + 'modulename': 'qiskit_finance', + 'checksums': ['063f3c267efb21002f3fb8bf6766f6a4e6299fafa849a9560f2962745c83bc95'], + }), + ('qiskit-nature', '0.2.2', { + 'modulename': 'qiskit_nature', + 'checksums': ['ce3558d4acf2511111cc398361146af36391d67e5a9fe9c4bd0f727cb56022bf'], + }), + ('qiskit-machine-learning', '0.2.1', { + 'modulename': 'qiskit_machine_learning', + 'checksums': ['4afb429b36da48d9b45167758454ca53b12018320863dc2f0748b877b3ab1c29'], + }), + ('qiskit-aqua', '0.9.5', { + 'modulename': 'qiskit.aqua', + 'checksums': ['3ae50cfb008726e9862a17ba49d23bf987bc918239149db36f51c0f94e9cd36d'], + }), + ('qiskit-aer', '0.11.2', { + 'modulename': 'qiskit.providers.aer', + 'checksums': ['5de28a3dbe1e2577308062c690bea5e6'], + }), + ('qiskit', version, { + 'checksums': ['eef9b38594540f1b5ca4383e3eb707f9'], + }), +] + +moduleclass = 'quantum'