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MolSSI / QCElemental

Periodic table, physical constants, and molecule parsing for quantum chemistry.
https://molssi.github.io/QCElemental/
BSD 3-Clause "New" or "Revised" License
140 stars 70 forks source link

Tests not working #38

Closed susilehtola closed 5 years ago

susilehtola commented 5 years ago

Packaging QCElemental in Fedora to update to Psi4 1.3 I get

Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.1xi4Zs
+ umask 022
+ cd /home/jzlehtol/rpmbuild/BUILD
+ cd qcelemental-0.2.5
+ /usr/bin/python3 setup.py test
/usr/lib/python3.7/site-packages/setuptools/dist.py:398: UserWarning: Normalizing 'v0.2.5' to '0.2.5'
  normalized_version,
running test
running egg_info
writing qcelemental.egg-info/PKG-INFO
writing dependency_links to qcelemental.egg-info/dependency_links.txt
writing requirements to qcelemental.egg-info/requires.txt
writing top-level names to qcelemental.egg-info/top_level.txt
reading manifest file 'qcelemental.egg-info/SOURCES.txt'
reading manifest template 'MANIFEST.in'
warning: no files found matching '*.json' under directory 'qcelemental'
warning: no previously-included files matching '*.py' found under directory 'qcelemental/checkup_data'
warning: no previously-included files matching '*.md' found under directory 'qcelemental/checkup_data'
writing manifest file 'qcelemental.egg-info/SOURCES.txt'
running build_ext
Traceback (most recent call last):
  File "setup.py", line 57, in <module>
    long_description_content_type="text/markdown"
  File "/usr/lib/python3.7/site-packages/setuptools/__init__.py", line 140, in setup
    return distutils.core.setup(**attrs)
  File "/usr/lib64/python3.7/distutils/core.py", line 148, in setup
    dist.run_commands()
  File "/usr/lib64/python3.7/distutils/dist.py", line 966, in run_commands
    self.run_command(cmd)
  File "/usr/lib64/python3.7/distutils/dist.py", line 985, in run_command
    cmd_obj.run()
  File "/usr/lib/python3.7/site-packages/setuptools/command/test.py", line 228, in run
    self.run_tests()
  File "/usr/lib/python3.7/site-packages/setuptools/command/test.py", line 250, in run_tests
    exit=False,
  File "/usr/lib64/python3.7/unittest/main.py", line 100, in __init__
    self.parseArgs(argv)
  File "/usr/lib64/python3.7/unittest/main.py", line 124, in parseArgs
    self._do_discovery(argv[2:])
  File "/usr/lib64/python3.7/unittest/main.py", line 244, in _do_discovery
    self.createTests(from_discovery=True, Loader=Loader)
  File "/usr/lib64/python3.7/unittest/main.py", line 154, in createTests
    self.test = loader.discover(self.start, self.pattern, self.top)
  File "/usr/lib64/python3.7/unittest/loader.py", line 347, in discover
    tests = list(self._find_tests(start_dir, pattern))
  File "/usr/lib64/python3.7/unittest/loader.py", line 404, in _find_tests
    full_path, pattern, namespace)
  File "/usr/lib64/python3.7/unittest/loader.py", line 481, in _find_test_path
    tests = self.loadTestsFromModule(package, pattern=pattern)
  File "/usr/lib/python3.7/site-packages/setuptools/command/test.py", line 54, in loadTestsFromModule
    tests.append(self.loadTestsFromName(submodule))
  File "/usr/lib64/python3.7/unittest/loader.py", line 191, in loadTestsFromName
    return self.loadTestsFromModule(obj)
  File "/usr/lib/python3.7/site-packages/setuptools/command/test.py", line 54, in loadTestsFromModule
    tests.append(self.loadTestsFromName(submodule))
  File "/usr/lib64/python3.7/unittest/loader.py", line 214, in loadTestsFromName
    raise TypeError("don't know how to make test from: %s" % obj)
TypeError: don't know how to make test from: {'title': 'NIST-CODATA Internationally Recommended 2014 Values of the Fundamental Physical Constants - SRD 121', 'date': '2014-01-01', 'doi': '10.18434/T4WW24', 'url': 'http://www.nist.gov/srd/srd_data/srd121_allascii_2014.json', 'access_data': '2018-09-26 22:11:02.928442', 'constants': {'{220} lattice spacing of silicon': {'quantity': '{220} lattice spacing of silicon', 'unit': 'm', 'value': '192.0155714e-12', 'uncertainty': '0.000 0032 e-12'}, 'alpha particle-electron mass ratio': {'quantity': 'alpha particle-electron mass ratio', 'unit': '', 'value': '7294.29954136', 'uncertainty': '0.000 000 24'}, 'alpha particle mass': {'quantity': 'alpha particle mass', 'unit': 'kg', 'value': '6.644657230e-27', 'uncertainty': '0.000 000 082 e-27'}, 'alpha particle mass energy equivalent': {'quantity': 'alpha particle mass energy equivalent', 'unit': 'J', 'value': '5.971920097e-10', 'uncertainty': '0.000 000 073 e-10'}, 'alpha particle mass energy equivalent in mev': {'quantity': 'alpha particle mass energy equivalent in MeV', 'unit': 'MeV', 'value': '3727.379378', 'uncertainty': '0.000 023'}, 'alpha particle mass in u': {'quantity': 'alpha particle mass in u', 'unit': 'u', 'value': '4.001506179127', 'uncertainty': '0.000 000 000 063'}, 'alpha particle molar mass': {'quantity': 'alpha particle molar mass', 'unit': 'kg mol^{-1}', 'value': '4.001506179127e-3', 'uncertainty': '0.000 000 000 063 e-3'}, 'alpha particle-proton mass ratio': {'quantity': 'alpha particle-proton mass ratio', 'unit': '', 'value': '3.97259968907', 'uncertainty': '0.000 000 000 36'}, 'angstrom star': {'quantity': 'Angstrom star', 'unit': 'm', 'value': '1.00001495e-10', 'uncertainty': '0.000 000 90 e-10'}, 'atomic mass constant': {'quantity': 'atomic mass constant', 'unit': 'kg', 'value': '1.660539040e-27', 'uncertainty': '0.000 000 020 e-27'}, 'atomic mass constant energy equivalent': {'quantity': 'atomic mass constant energy equivalent', 'unit': 'J', 'value': '1.492418062e-10', 'uncertainty': '0.000 000 018 e-10'}, 'atomic mass constant energy equivalent in mev': {'quantity': 'atomic mass constant energy equivalent in MeV', 'unit': 'MeV', 'value': '931.4940954', 'uncertainty': '0.000 0057'}, 'atomic mass unit-electron volt relationship': {'quantity': 'atomic mass unit-electron volt relationship', 'unit': 'eV', 'value': '931.4940954e6', 'uncertainty': '0.000 0057 e6'}, 'atomic mass unit-hartree relationship': {'quantity': 'atomic mass unit-hartree relationship', 'unit': 'E_h', 'value': '3.4231776902e7', 'uncertainty': '0.000 000 0016 e7'}, 'atomic mass unit-hertz relationship': {'quantity': 'atomic mass unit-hertz relationship', 'unit': 'Hz', 'value': '2.2523427206e23', 'uncertainty': '0.000 000 0010 e23'}, 'atomic mass unit-inverse meter relationship': {'quantity': 'atomic mass unit-inverse meter relationship', 'unit': 'm^{-1}', 'value': '7.5130066166e14', 'uncertainty': '0.000 000 0034 e14'}, 'atomic mass unit-joule relationship': {'quantity': 'atomic mass unit-joule relationship', 'unit': 'J', 'value': '1.492418062e-10', 'uncertainty': '0.000 000 018 e-10'}, 'atomic mass unit-kelvin relationship': {'quantity': 'atomic mass unit-kelvin relationship', 'unit': 'K', 'value': '1.08095438e13', 'uncertainty': '0.000 000 62 e13'}, 'atomic mass unit-kilogram relationship': {'quantity': 'atomic mass unit-kilogram relationship', 'unit': 'kg', 'value': '1.660539040e-27', 'uncertainty': '0.000 000 020 e-27'}, 'atomic unit of 1st hyperpolarizability': {'quantity': 'atomic unit of 1st hyperpolarizability', 'unit': 'C^3 m^3 J^{-2}', 'value': '3.206361329e-53', 'uncertainty': '0.000 000 020 e-53'}, 'atomic unit of 2nd hyperpolarizability': {'quantity': 'atomic unit of 2nd hyperpolarizability', 'unit': 'C^4 m^4 J^{-3}', 'value': '6.235380085e-65', 'uncertainty': '0.000 000 077 e-65'}, 'atomic unit of action': {'quantity': 'atomic unit of action', 'unit': 'J s', 'value': '1.054571800e-34', 'uncertainty': '0.000 000 013 e-34'}, 'atomic unit of charge': {'quantity': 'atomic unit of charge', 'unit': 'C', 'value': '1.6021766208e-19', 'uncertainty': '0.000 000 0098 e-19'}, 'atomic unit of charge density': {'quantity': 'atomic unit of charge density', 'unit': 'C m^{-3}', 'value': '1.0812023770e12', 'uncertainty': '0.000 000 0067 e12'}, 'atomic unit of current': {'quantity': 'atomic unit of current', 'unit': 'A', 'value': '6.623618183e-3', 'uncertainty': '0.000 000 041 e-3'}, 'atomic unit of electric dipole mom.': {'quantity': 'atomic unit of electric dipole mom.', 'unit': 'C m', 'value': '8.478353552e-30', 'uncertainty': '0.000 000 052 e-30'}, 'atomic unit of electric field': {'quantity': 'atomic unit of electric field', 'unit': 'V m^{-1}', 'value': '5.142206707e11', 'uncertainty': '0.000 000 032 e11'}, 'atomic unit of electric field gradient': {'quantity': 'atomic unit of electric field gradient', 'unit': 'V m^{-2}', 'value': '9.717362356e21', 'uncertainty': '0.000 000 060 e21'}, 'atomic unit of electric polarizability': {'quantity': 'atomic unit of electric polarizability', 'unit': 'C^2 m^2 J^{-1}', 'value': '1.6487772731e-41', 'uncertainty': '0.000 000 0011 e-41'}, 'atomic unit of electric potential': {'quantity': 'atomic unit of electric potential', 'unit': 'V', 'value': '27.21138602', 'uncertainty': '0.000 000 17'}, 'atomic unit of electric quadrupole mom.': {'quantity': 'atomic unit of electric quadrupole mom.', 'unit': 'C m^2', 'value': '4.486551484e-40', 'uncertainty': '0.000 000 028 e-40'}, 'atomic unit of energy': {'quantity': 'atomic unit of energy', 'unit': 'J', 'value': '4.359744650e-18', 'uncertainty': '0.000 000 054 e-18'}, 'atomic unit of force': {'quantity': 'atomic unit of force', 'unit': 'N', 'value': '8.23872336e-8', 'uncertainty': '0.000 000 10 e-8'}, 'atomic unit of length': {'quantity': 'atomic unit of length', 'unit': 'm', 'value': '0.52917721067e-10', 'uncertainty': '0.000 000 000 12 e-10'}, 'atomic unit of mag. dipole mom.': {'quantity': 'atomic unit of mag. dipole mom.', 'unit': 'J T^{-1}', 'value': '1.854801999e-23', 'uncertainty': '0.000 000 011 e-23'}, 'atomic unit of mag. flux density': {'quantity': 'atomic unit of mag. flux density', 'unit': 'T', 'value': '2.350517550e5', 'uncertainty': '0.000 000 014 e5'}, 'atomic unit of magnetizability': {'quantity': 'atomic unit of magnetizability', 'unit': 'J T^{-2}', 'value': '7.8910365886e-29', 'uncertainty': '0.000 000 0090 e-29'}, 'atomic unit of mass': {'quantity': 'atomic unit of mass', 'unit': 'kg', 'value': '9.10938356e-31', 'uncertainty': '0.000 000 11 e-31'}, 'atomic unit of mom.um': {'quantity': 'atomic unit of mom.um', 'unit': 'kg m s^{-1}', 'value': '1.992851882e-24', 'uncertainty': '0.000 000 024 e-24'}, 'atomic unit of permittivity': {'quantity': 'atomic unit of permittivity', 'unit': 'F m^{-1}', 'value': '1.112650056e-10', 'uncertainty': '(exact)'}, 'atomic unit of time': {'quantity': 'atomic unit of time', 'unit': 's', 'value': '2.418884326509e-17', 'uncertainty': '0.000 000 000 014 e-17'}, 'atomic unit of velocity': {'quantity': 'atomic unit of velocity', 'unit': 'm s^{-1}', 'value': '2.18769126277e6', 'uncertainty': '0.000 000 000 50 e6'}, 'avogadro constant': {'quantity': 'Avogadro constant', 'unit': 'mol^{-1}', 'value': '6.022140857e23', 'uncertainty': '0.000 000 074 e23'}, 'bohr magneton': {'quantity': 'Bohr magneton', 'unit': 'J T^{-1}', 'value': '927.4009994e-26', 'uncertainty': '0.000 0057 e-26'}, 'bohr magneton in ev/t': {'quantity': 'Bohr magneton in eV/T', 'unit': 'eV T^{-1}', 'value': '5.7883818012e-5', 'uncertainty': '0.000 000 0026 e-5'}, 'bohr magneton in hz/t': {'quantity': 'Bohr magneton in Hz/T', 'unit': 'Hz T^{-1}', 'value': '13.996245042e9', 'uncertainty': '0.000 000 086 e9'}, 'bohr magneton in inverse meters per tesla': {'quantity': 'Bohr magneton in inverse meters per tesla', 'unit': 'm^{-1} T^{-1}', 'value': '46.68644814', 'uncertainty': '0.000 000 29'}, 'bohr magneton in k/t': {'quantity': 'Bohr magneton in K/T', 'unit': 'K T^{-1}', 'value': '0.67171405', 'uncertainty': '0.000 000 39'}, 'bohr radius': {'quantity': 'Bohr radius', 'unit': 'm', 'value': '0.52917721067e-10', 'uncertainty': '0.000 000 000 12 e-10'}, 'boltzmann constant': {'quantity': 'Boltzmann constant', 'unit': 'J K^{-1}', 'value': '1.38064852e-23', 'uncertainty': '0.000 000 79 e-23'}, 'boltzmann constant in ev/k': {'quantity': 'Boltzmann constant in eV/K', 'unit': 'eV K^{-1}', 'value': '8.6173303e-5', 'uncertainty': '0.000 0050 e-5'}, 'boltzmann constant in hz/k': {'quantity': 'Boltzmann constant in Hz/K', 'unit': 'Hz K^{-1}', 'value': '2.0836612e10', 'uncertainty': '0.000 0012 e10'}, 'boltzmann constant in inverse meters per kelvin': {'quantity': 'Boltzmann constant in inverse meters per kelvin', 'unit': 'm^{-1} K^{-1}', 'value': '69.503457', 'uncertainty': '0.000 040'}, 'characteristic impedance of vacuum': {'quantity': 'characteristic impedance of vacuum', 'unit': 'ohm', 'value': '376.730313461', 'uncertainty': '(exact)'}, 'classical electron radius': {'quantity': 'classical electron radius', 'unit': 'm', 'value': '2.8179403227e-15', 'uncertainty': '0.000 000 0019 e-15'}, 'compton wavelength': {'quantity': 'Compton wavelength', 'unit': 'm', 'value': '2.4263102367e-12', 'uncertainty': '0.000 000 0011 e-12'}, 'compton wavelength over 2 pi': {'quantity': 'Compton wavelength over 2 pi', 'unit': 'm', 'value': '386.15926764e-15', 'uncertainty': '0.000 000 18 e-15'}, 'conductance quantum': {'quantity': 'conductance quantum', 'unit': 'S', 'value': '7.7480917310e-5', 'uncertainty': '0.000 000 0018 e-5'}, 'conventional value of josephson constant': {'quantity': 'conventional value of Josephson constant', 'unit': 'Hz V^{-1}', 'value': '483597.9e9', 'uncertainty': '(exact)'}, 'conventional value of von klitzing constant': {'quantity': 'conventional value of von Klitzing constant', 'unit': 'ohm', 'value': '25812.807', 'uncertainty': '(exact)'}, 'cu x unit': {'quantity': 'Cu x unit', 'unit': 'm', 'value': '1.00207697e-13', 'uncertainty': '0.000 000 28 e-13'}, 'deuteron-electron mag. mom. ratio': {'quantity': 'deuteron-electron mag. mom. ratio', 'unit': '', 'value': '-4.664345535e-4', 'uncertainty': '0.000 000 026 e-4'}, 'deuteron-electron mass ratio': {'quantity': 'deuteron-electron mass ratio', 'unit': '', 'value': '3670.48296785', 'uncertainty': '0.000 000 13'}, 'deuteron g factor': {'quantity': 'deuteron g factor', 'unit': '', 'value': '0.8574382311', 'uncertainty': '0.000 000 0048'}, 'deuteron mag. mom.': {'quantity': 'deuteron mag. mom.', 'unit': 'J T^{-1}', 'value': '0.4330735040e-26', 'uncertainty': '0.000 000 0036 e-26'}, 'deuteron mag. mom. to bohr magneton ratio': {'quantity': 'deuteron mag. mom. to Bohr magneton ratio', 'unit': '', 'value': '0.4669754554e-3', 'uncertainty': '0.000 000 0026 e-3'}, 'deuteron mag. mom. to nuclear magneton ratio': {'quantity': 'deuteron mag. mom. to nuclear magneton ratio', 'unit': '', 'value': '0.8574382311', 'uncertainty': '0.000 000 0048'}, 'deuteron mass': {'quantity': 'deuteron mass', 'unit': 'kg', 'value': '3.343583719e-27', 'uncertainty': '0.000 000 041 e-27'}, 'deuteron mass energy equivalent': {'quantity': 'deuteron mass energy equivalent', 'unit': 'J', 'value': '3.005063183e-10', 'uncertainty': '0.000 000 037 e-10'}, 'deuteron mass energy equivalent in mev': {'quantity': 'deuteron mass energy equivalent in MeV', 'unit': 'MeV', 'value': '1875.612928', 'uncertainty': '0.000 012'}, 'deuteron mass in u': {'quantity': 'deuteron mass in u', 'unit': 'u', 'value': '2.013553212745', 'uncertainty': '0.000 000 000 040'}, 'deuteron molar mass': {'quantity': 'deuteron molar mass', 'unit': 'kg mol^{-1}', 'value': '2.013553212745e-3', 'uncertainty': '0.000 000 000 040 e-3'}, 'deuteron-neutron mag. mom. ratio': {'quantity': 'deuteron-neutron mag. mom. ratio', 'unit': '', 'value': '-0.44820652', 'uncertainty': '0.000 000 11'}, 'deuteron-proton mag. mom. ratio': {'quantity': 'deuteron-proton mag. mom. ratio', 'unit': '', 'value': '0.3070122077', 'uncertainty': '0.000 000 0015'}, 'deuteron-proton mass ratio': {'quantity': 'deuteron-proton mass ratio', 'unit': '', 'value': '1.99900750087', 'uncertainty': '0.000 000 000 19'}, 'deuteron rms charge radius': {'quantity': 'deuteron rms charge radius', 'unit': 'm', 'value': '2.1413e-15', 'uncertainty': '0.0025 e-15'}, 'electric constant': {'quantity': 'electric constant', 'unit': 'F m^{-1}', 'value': '8.854187817e-12', 'uncertainty': '(exact)'}, 'electron charge to mass quotient': {'quantity': 'electron charge to mass quotient', 'unit': 'C kg^{-1}', 'value': '-1.758820024e11', 'uncertainty': '0.000 000 011 e11'}, 'electron-deuteron mag. mom. ratio': {'quantity': 'electron-deuteron mag. mom. ratio', 'unit': '', 'value': '-2143.923499', 'uncertainty': '0.000 012'}, 'electron-deuteron mass ratio': {'quantity': 'electron-deuteron mass ratio', 'unit': '', 'value': '2.724437107484e-4', 'uncertainty': '0.000 000 000 096 e-4'}, 'electron g factor': {'quantity': 'electron g factor', 'unit': '', 'value': '-2.00231930436182', 'uncertainty': '0.000 000 000 000 52'}, 'electron gyromag. ratio': {'quantity': 'electron gyromag. ratio', 'unit': 's^{-1} T^{-1}', 'value': '1.760859644e11', 'uncertainty': '0.000 000 011 e11'}, 'electron gyromag. ratio over 2 pi': {'quantity': 'electron gyromag. ratio over 2 pi', 'unit': 'MHz T^{-1}', 'value': '28024.95164', 'uncertainty': '0.000 17'}, 'electron-helion mass ratio': {'quantity': 'electron-helion mass ratio', 'unit': '', 'value': '1.819543074854e-4', 'uncertainty': '0.000 000 000 088 e-4'}, 'electron mag. mom.': {'quantity': 'electron mag. mom.', 'unit': 'J T^{-1}', 'value': '-928.4764620e-26', 'uncertainty': '0.000 0057 e-26'}, 'electron mag. mom. anomaly': {'quantity': 'electron mag. mom. anomaly', 'unit': '', 'value': '1.15965218091e-3', 'uncertainty': '0.000 000 000 26 e-3'}, 'electron mag. mom. to bohr magneton ratio': {'quantity': 'electron mag. mom. to Bohr magneton ratio', 'unit': '', 'value': '-1.00115965218091', 'uncertainty': '0.000 000 000 000 26'}, 'electron mag. mom. to nuclear magneton ratio': {'quantity': 'electron mag. mom. to nuclear magneton ratio', 'unit': '', 'value': '-1838.28197234', 'uncertainty': '0.000 000 17'}, 'electron mass': {'quantity': 'electron mass', 'unit': 'kg', 'value': '9.10938356e-31', 'uncertainty': '0.000 000 11 e-31'}, 'electron mass energy equivalent': {'quantity': 'electron mass energy equivalent', 'unit': 'J', 'value': '8.18710565e-14', 'uncertainty': '0.000 000 10 e-14'}, 'electron mass energy equivalent in mev': {'quantity': 'electron mass energy equivalent in MeV', 'unit': 'MeV', 'value': '0.5109989461', 'uncertainty': '0.000 000 0031'}, 'electron mass in u': {'quantity': 'electron mass in u', 'unit': 'u', 'value': '5.48579909070e-4', 'uncertainty': '0.000 000 000 16 e-4'}, 'electron molar mass': {'quantity': 'electron molar mass', 'unit': 'kg mol^{-1}', 'value': '5.48579909070e-7', 'uncertainty': '0.000 000 000 16 e-7'}, 'electron-muon mag. mom. ratio': {'quantity': 'electron-muon mag. mom. ratio', 'unit': '', 'value': '206.7669880', 'uncertainty': '0.000 0046'}, 'electron-muon mass ratio': {'quantity': 'electron-muon mass ratio', 'unit': '', 'value': '4.83633170e-3', 'uncertainty': '0.000 000 11 e-3'}, 'electron-neutron mag. mom. ratio': {'quantity': 'electron-neutron mag. mom. ratio', 'unit': '', 'value': '960.92050', 'uncertainty': '0.000 23'}, 'electron-neutron mass ratio': {'quantity': 'electron-neutron mass ratio', 'unit': '', 'value': '5.4386734428e-4', 'uncertainty': '0.000 000 0027 e-4'}, 'electron-proton mag. mom. ratio': {'quantity': 'electron-proton mag. mom. ratio', 'unit': '', 'value': '-658.2106866', 'uncertainty': '0.000 0020'}, 'electron-proton mass ratio': {'quantity': 'electron-proton mass ratio', 'unit': '', 'value': '5.44617021352e-4', 'uncertainty': '0.000 000 000 52 e-4'}, 'electron-tau mass ratio': {'quantity': 'electron-tau mass ratio', 'unit': '', 'value': '2.87592e-4', 'uncertainty': '0.000 26 e-4'}, 'electron to alpha particle mass ratio': {'quantity': 'electron to alpha particle mass ratio', 'unit': '', 'value': '1.370933554798e-4', 'uncertainty': '0.000 000 000 045 e-4'}, 'electron to shielded helion mag. mom. ratio': {'quantity': 'electron to shielded helion mag. mom. ratio', 'unit': '', 'value': '864.058257', 'uncertainty': '0.000 010'}, 'electron to shielded proton mag. mom. ratio': {'quantity': 'electron to shielded proton mag. mom. ratio', 'unit': '', 'value': '-658.2275971', 'uncertainty': '0.000 0072'}, 'electron-triton mass ratio': {'quantity': 'electron-triton mass ratio', 'unit': '', 'value': '1.819200062203e-4', 'uncertainty': '0.000 000 000 084 e-4'}, 'electron volt': {'quantity': 'electron volt', 'unit': 'J', 'value': '1.6021766208e-19', 'uncertainty': '0.000 000 0098 e-19'}, 'electron volt-atomic mass unit relationship': {'quantity': 'electron volt-atomic mass unit relationship', 'unit': 'u', 'value': '1.0735441105e-9', 'uncertainty': '0.000 000 0066 e-9'}, 'electron volt-hartree relationship': {'quantity': 'electron volt-hartree relationship', 'unit': 'E_h', 'value': '3.674932248e-2', 'uncertainty': '0.000 000 023 e-2'}, 'electron volt-hertz relationship': {'quantity': 'electron volt-hertz relationship', 'unit': 'Hz', 'value': '2.417989262e14', 'uncertainty': '0.000 000 015 e14'}, 'electron volt-inverse meter relationship': {'quantity': 'electron volt-inverse meter relationship', 'unit': 'm^{-1}', 'value': '8.065544005e5', 'uncertainty': '0.000 000 050 e5'}, 'electron volt-joule relationship': {'quantity': 'electron volt-joule relationship', 'unit': 'J', 'value': '1.6021766208e-19', 'uncertainty': '0.000 000 0098 e-19'}, 'electron volt-kelvin relationship': {'quantity': 'electron volt-kelvin relationship', 'unit': 'K', 'value': '1.16045221e4', 'uncertainty': '0.000 000 67 e4'}, 'electron volt-kilogram relationship': {'quantity': 'electron volt-kilogram relationship', 'unit': 'kg', 'value': '1.782661907e-36', 'uncertainty': '0.000 000 011 e-36'}, 'elementary charge': {'quantity': 'elementary charge', 'unit': 'C', 'value': '1.6021766208e-19', 'uncertainty': '0.000 000 0098 e-19'}, 'elementary charge over h': {'quantity': 'elementary charge over h', 'unit': 'A J^{-1}', 'value': '2.417989262e14', 'uncertainty': '0.000 000 015 e14'}, 'faraday constant': {'quantity': 'Faraday constant', 'unit': 'C mol^{-1}', 'value': '96485.33289', 'uncertainty': '0.000 59'}, 'faraday constant for conventional electric current': {'quantity': 'Faraday constant for conventional electric current', 'unit': 'C_{90} mol^{-1}', 'value': '96485.3251', 'uncertainty': '0.0012'}, 'fermi coupling constant': {'quantity': 'Fermi coupling constant', 'unit': 'GeV^{-2}', 'value': '1.1663787e-5', 'uncertainty': '0.000 0006 e-5'}, 'fine-structure constant': {'quantity': 'fine-structure constant', 'unit': '', 'value': '7.2973525664e-3', 'uncertainty': '0.000 000 0017 e-3'}, 'first radiation constant': {'quantity': 'first radiation constant', 'unit': 'W m^2', 'value': '3.741771790e-16', 'uncertainty': '0.000 000 046 e-16'}, 'first radiation constant for spectral radiance': {'quantity': 'first radiation constant for spectral radiance', 'unit': 'W m^2 sr^{-1}', 'value': '1.191042953e-16', 'uncertainty': '0.000 000 015 e-16'}, 'hartree-atomic mass unit relationship': {'quantity': 'hartree-atomic mass unit relationship', 'unit': 'u', 'value': '2.9212623197e-8', 'uncertainty': '0.000 000 0013 e-8'}, 'hartree-electron volt relationship': {'quantity': 'hartree-electron volt relationship', 'unit': 'eV', 'value': '27.21138602', 'uncertainty': '0.000 000 17'}, 'hartree energy': {'quantity': 'Hartree energy', 'unit': 'J', 'value': '4.359744650e-18', 'uncertainty': '0.000 000 054 e-18'}, 'hartree energy in ev': {'quantity': 'Hartree energy in eV', 'unit': 'eV', 'value': '27.21138602', 'uncertainty': '0.000 000 17'}, 'hartree-hertz relationship': {'quantity': 'hartree-hertz relationship', 'unit': 'Hz', 'value': '6.579683920711e15', 'uncertainty': '0.000 000 000 039 e15'}, 'hartree-inverse meter relationship': {'quantity': 'hartree-inverse meter relationship', 'unit': 'm^{-1}', 'value': '2.194746313702e7', 'uncertainty': '0.000 000 000 013 e7'}, 'hartree-joule relationship': {'quantity': 'hartree-joule relationship', 'unit': 'J', 'value': '4.359744650e-18', 'uncertainty': '0.000 000 054 e-18'}, 'hartree-kelvin relationship': {'quantity': 'hartree-kelvin relationship', 'unit': 'K', 'value': '3.1577513e5', 'uncertainty': '0.000 0018 e5'}, 'hartree-kilogram relationship': {'quantity': 'hartree-kilogram relationship', 'unit': 'kg', 'value': '4.850870129e-35', 'uncertainty': '0.000 000 060 e-35'}, 'helion-electron mass ratio': {'quantity': 'helion-electron mass ratio', 'unit': '', 'value': '5495.88527922', 'uncertainty': '0.000 000 27'}, 'helion g factor': {'quantity': 'helion g factor', 'unit': '', 'value': '-4.255250616', 'uncertainty': '0.000 000 050'}, 'helion mag. mom.': {'quantity': 'helion mag. mom.', 'unit': 'J T^{-1}', 'value': '-1.074617522e-26', 'uncertainty': '0.000 000 014 e-26'}, 'helion mag. mom. to bohr magneton ratio': {'quantity': 'helion mag. mom. to Bohr magneton ratio', 'unit': '', 'value': '-1.158740958e-3', 'uncertainty': '0.000 000 014 e-3'}, 'helion mag. mom. to nuclear magneton ratio': {'quantity': 'helion mag. mom. to nuclear magneton ratio', 'unit': '', 'value': '-2.127625308', 'uncertainty': '0.000 000 025'}, 'helion mass': {'quantity': 'helion mass', 'unit': 'kg', 'value': '5.006412700e-27', 'uncertainty': '0.000 000 062 e-27'}, 'helion mass energy equivalent': {'quantity': 'helion mass energy equivalent', 'unit': 'J', 'value': '4.499539341e-10', 'uncertainty': '0.000 000 055 e-10'}, 'helion mass energy equivalent in mev': {'quantity': 'helion mass energy equivalent in MeV', 'unit': 'MeV', 'value': '2808.391586', 'uncertainty': '0.000 017'}, 'helion mass in u': {'quantity': 'helion mass in u', 'unit': 'u', 'value': '3.01493224673', 'uncertainty': '0.000 000 000 12'}, 'helion molar mass': {'quantity': 'helion molar mass', 'unit': 'kg mol^{-1}', 'value': '3.01493224673e-3', 'uncertainty': '0.000 000 000 12 e-3'}, 'helion-proton mass ratio': {'quantity': 'helion-proton mass ratio', 'unit': '', 'value': '2.99315267046', 'uncertainty': '0.000 000 000 29'}, 'hertz-atomic mass unit relationship': {'quantity': 'hertz-atomic mass unit relationship', 'unit': 'u', 'value': '4.4398216616e-24', 'uncertainty': '0.000 000 0020 e-24'}, 'hertz-electron volt relationship': {'quantity': 'hertz-electron volt relationship', 'unit': 'eV', 'value': '4.135667662e-15', 'uncertainty': '0.000 000 025 e-15'}, 'hertz-hartree relationship': {'quantity': 'hertz-hartree relationship', 'unit': 'E_h', 'value': '1.5198298460088e-16', 'uncertainty': '0.000 000 000 0090 e-16'}, 'hertz-inverse meter relationship': {'quantity': 'hertz-inverse meter relationship', 'unit': 'm^{-1}', 'value': '3.335640951e-9', 'uncertainty': '(exact)'}, 'hertz-joule relationship': {'quantity': 'hertz-joule relationship', 'unit': 'J', 'value': '6.626070040e-34', 'uncertainty': '0.000 000 081 e-34'}, 'hertz-kelvin relationship': {'quantity': 'hertz-kelvin relationship', 'unit': 'K', 'value': '4.7992447e-11', 'uncertainty': '0.000 0028 e-11'}, 'hertz-kilogram relationship': {'quantity': 'hertz-kilogram relationship', 'unit': 'kg', 'value': '7.372497201e-51', 'uncertainty': '0.000 000 091 e-51'}, 'inverse fine-structure constant': {'quantity': 'inverse fine-structure constant', 'unit': '', 'value': '137.035999139', 'uncertainty': '0.000 000 031'}, 'inverse meter-atomic mass unit relationship': {'quantity': 'inverse meter-atomic mass unit relationship', 'unit': 'u', 'value': '1.33102504900e-15', 'uncertainty': '0.000 000 000 61 e-15'}, 'inverse meter-electron volt relationship': {'quantity': 'inverse meter-electron volt relationship', 'unit': 'eV', 'value': '1.2398419739e-6', 'uncertainty': '0.000 000 0076 e-6'}, 'inverse meter-hartree relationship': {'quantity': 'inverse meter-hartree relationship', 'unit': 'E_h', 'value': '4.556335252767e-8', 'uncertainty': '0.000 000 000 027 e-8'}, 'inverse meter-hertz relationship': {'quantity': 'inverse meter-hertz relationship', 'unit': 'Hz', 'value': '299792458', 'uncertainty': '(exact)'}, 'inverse meter-joule relationship': {'quantity': 'inverse meter-joule relationship', 'unit': 'J', 'value': '1.986445824e-25', 'uncertainty': '0.000 000 024 e-25'}, 'inverse meter-kelvin relationship': {'quantity': 'inverse meter-kelvin relationship', 'unit': 'K', 'value': '1.43877736e-2', 'uncertainty': '0.000 000 83 e-2'}, 'inverse meter-kilogram relationship': {'quantity': 'inverse meter-kilogram relationship', 'unit': 'kg', 'value': '2.210219057e-42', 'uncertainty': '0.000 000 027 e-42'}, 'inverse of conductance quantum': {'quantity': 'inverse of conductance quantum', 'unit': 'ohm', 'value': '12906.4037278', 'uncertainty': '0.000 0029'}, 'josephson constant': {'quantity': 'Josephson constant', 'unit': 'Hz V^{-1}', 'value': '483597.8525e9', 'uncertainty': '0.0030 e9'}, 'joule-atomic mass unit relationship': {'quantity': 'joule-atomic mass unit relationship', 'unit': 'u', 'value': '6.700535363e9', 'uncertainty': '0.000 000 082 e9'}, 'joule-electron volt relationship': {'quantity': 'joule-electron volt relationship', 'unit': 'eV', 'value': '6.241509126e18', 'uncertainty': '0.000 000 038 e18'}, 'joule-hartree relationship': {'quantity': 'joule-hartree relationship', 'unit': 'E_h', 'value': '2.293712317e17', 'uncertainty': '0.000 000 028 e17'}, 'joule-hertz relationship': {'quantity': 'joule-hertz relationship', 'unit': 'Hz', 'value': '1.509190205e33', 'uncertainty': '0.000 000 019 e33'}, 'joule-inverse meter relationship': {'quantity': 'joule-inverse meter relationship', 'unit': 'm^{-1}', 'value': '5.034116651e24', 'uncertainty': '0.000 000 062 e24'}, 'joule-kelvin relationship': {'quantity': 'joule-kelvin relationship', 'unit': 'K', 'value': '7.2429731e22', 'uncertainty': '0.000 0042 e22'}, 'joule-kilogram relationship': {'quantity': 'joule-kilogram relationship', 'unit': 'kg', 'value': '1.112650056e-17', 'uncertainty': '(exact)'}, 'kelvin-atomic mass unit relationship': {'quantity': 'kelvin-atomic mass unit relationship', 'unit': 'u', 'value': '9.2510842e-14', 'uncertainty': '0.000 0053 e-14'}, 'kelvin-electron volt relationship': {'quantity': 'kelvin-electron volt relationship', 'unit': 'eV', 'value': '8.6173303e-5', 'uncertainty': '0.000 0050 e-5'}, 'kelvin-hartree relationship': {'quantity': 'kelvin-hartree relationship', 'unit': 'E_h', 'value': '3.1668105e-6', 'uncertainty': '0.000 0018 e-6'}, 'kelvin-hertz relationship': {'quantity': 'kelvin-hertz relationship', 'unit': 'Hz', 'value': '2.0836612e10', 'uncertainty': '0.000 0012 e10'}, 'kelvin-inverse meter relationship': {'quantity': 'kelvin-inverse meter relationship', 'unit': 'm^{-1}', 'value': '69.503457', 'uncertainty': '0.000 040'}, 'kelvin-joule relationship': {'quantity': 'kelvin-joule relationship', 'unit': 'J', 'value': '1.38064852e-23', 'uncertainty': '0.000 000 79 e-23'}, 'kelvin-kilogram relationship': {'quantity': 'kelvin-kilogram relationship', 'unit': 'kg', 'value': '1.53617865e-40', 'uncertainty': '0.000 000 88 e-40'}, 'kilogram-atomic mass unit relationship': {'quantity': 'kilogram-atomic mass unit relationship', 'unit': 'u', 'value': '6.022140857e26', 'uncertainty': '0.000 000 074 e26'}, 'kilogram-electron volt relationship': {'quantity': 'kilogram-electron volt relationship', 'unit': 'eV', 'value': '5.609588650e35', 'uncertainty': '0.000 000 034 e35'}, 'kilogram-hartree relationship': {'quantity': 'kilogram-hartree relationship', 'unit': 'E_h', 'value': '2.061485823e34', 'uncertainty': '0.000 000 025 e34'}, 'kilogram-hertz relationship': {'quantity': 'kilogram-hertz relationship', 'unit': 'Hz', 'value': '1.356392512e50', 'uncertainty': '0.000 000 017 e50'}, 'kilogram-inverse meter relationship': {'quantity': 'kilogram-inverse meter relationship', 'unit': 'm^{-1}', 'value': '4.524438411e41', 'uncertainty': '0.000 000 056 e41'}, 'kilogram-joule relationship': {'quantity': 'kilogram-joule relationship', 'unit': 'J', 'value': '8.987551787e16', 'uncertainty': '(exact)'}, 'kilogram-kelvin relationship': {'quantity': 'kilogram-kelvin relationship', 'unit': 'K', 'value': '6.5096595e39', 'uncertainty': '0.000 0037 e39'}, 'lattice parameter of silicon': {'quantity': 'lattice parameter of silicon', 'unit': 'm', 'value': '543.1020504e-12', 'uncertainty': '0.000 0089 e-12'}, 'loschmidt constant (273.15 k, 100 kpa)': {'quantity': 'Loschmidt constant (273.15 K, 100 kPa)', 'unit': 'm^{-3}', 'value': '2.6516467e25', 'uncertainty': '0.000 0015 e25'}, 'loschmidt constant (273.15 k, 101.325 kpa)': {'quantity': 'Loschmidt constant (273.15 K, 101.325 kPa)', 'unit': 'm^{-3}', 'value': '2.6867811e25', 'uncertainty': '0.000 0015 e25'}, 'mag. constant': {'quantity': 'mag. constant', 'unit': 'N A^{-2}', 'value': '12.566370614e-7', 'uncertainty': '(exact)'}, 'mag. flux quantum': {'quantity': 'mag. flux quantum', 'unit': 'Wb', 'value': '2.067833831e-15', 'uncertainty': '0.000 000 013 e-15'}, 'molar gas constant': {'quantity': 'molar gas constant', 'unit': 'J mol^{-1} K^{-1}', 'value': '8.3144598', 'uncertainty': '0.000 0048'}, 'molar mass constant': {'quantity': 'molar mass constant', 'unit': 'kg mol^{-1}', 'value': '1e-3', 'uncertainty': '(exact)'}, 'molar mass of carbon-12': {'quantity': 'molar mass of carbon-12', 'unit': 'kg mol^{-1}', 'value': '12e-3', 'uncertainty': '(exact)'}, 'molar planck constant': {'quantity': 'molar Planck constant', 'unit': 'J s mol^{-1}', 'value': '3.9903127110e-10', 'uncertainty': '0.000 000 0018 e-10'}, 'molar planck constant times c': {'quantity': 'molar Planck constant times c', 'unit': 'J m mol^{-1}', 'value': '0.119626565582', 'uncertainty': '0.000 000 000 054'}, 'molar volume of ideal gas (273.15 k, 100 kpa)': {'quantity': 'molar volume of ideal gas (273.15 K, 100 kPa)', 'unit': 'm^3 mol^{-1}', 'value': '22.710947e-3', 'uncertainty': '0.000 013 e-3'}, 'molar volume of ideal gas (273.15 k, 101.325 kpa)': {'quantity': 'molar volume of ideal gas (273.15 K, 101.325 kPa)', 'unit': 'm^3 mol^{-1}', 'value': '22.413962e-3', 'uncertainty': '0.000 013 e-3'}, 'molar volume of silicon': {'quantity': 'molar volume of silicon', 'unit': 'm^3 mol^{-1}', 'value': '12.05883214e-6', 'uncertainty': '0.000 000 61 e-6'}, 'mo x unit': {'quantity': 'Mo x unit', 'unit': 'm', 'value': '1.00209952e-13', 'uncertainty': '0.000 000 53 e-13'}, 'muon compton wavelength': {'quantity': 'muon Compton wavelength', 'unit': 'm', 'value': '11.73444111e-15', 'uncertainty': '0.000 000 26 e-15'}, 'muon compton wavelength over 2 pi': {'quantity': 'muon Compton wavelength over 2 pi', 'unit': 'm', 'value': '1.867594308e-15', 'uncertainty': '0.000 000 042 e-15'}, 'muon-electron mass ratio': {'quantity': 'muon-electron mass ratio', 'unit': '', 'value': '206.7682826', 'uncertainty': '0.000 0046'}, 'muon g factor': {'quantity': 'muon g factor', 'unit': '', 'value': '-2.0023318418', 'uncertainty': '0.000 000 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'value': '105.6583745', 'uncertainty': '0.000 0024'}, 'muon mass in u': {'quantity': 'muon mass in u', 'unit': 'u', 'value': '0.1134289257', 'uncertainty': '0.000 000 0025'}, 'muon molar mass': {'quantity': 'muon molar mass', 'unit': 'kg mol^{-1}', 'value': '0.1134289257e-3', 'uncertainty': '0.000 000 0025 e-3'}, 'muon-neutron mass ratio': {'quantity': 'muon-neutron mass ratio', 'unit': '', 'value': '0.1124545167', 'uncertainty': '0.000 000 0025'}, 'muon-proton mag. mom. ratio': {'quantity': 'muon-proton mag. mom. ratio', 'unit': '', 'value': '-3.183345142', 'uncertainty': '0.000 000 071'}, 'muon-proton mass ratio': {'quantity': 'muon-proton mass ratio', 'unit': '', 'value': '0.1126095262', 'uncertainty': '0.000 000 0025'}, 'muon-tau mass ratio': {'quantity': 'muon-tau mass ratio', 'unit': '', 'value': '5.94649e-2', 'uncertainty': '0.000 54 e-2'}, 'natural unit of action': {'quantity': 'natural unit of action', 'unit': 'J s', 'value': '1.054571800e-34', 'uncertainty': '0.000 000 013 e-34'}, 'natural unit of action in ev s': {'quantity': 'natural unit of action in eV s', 'unit': 'eV s', 'value': '6.582119514e-16', 'uncertainty': '0.000 000 040 e-16'}, 'natural unit of energy': {'quantity': 'natural unit of energy', 'unit': 'J', 'value': '8.18710565e-14', 'uncertainty': '0.000 000 10 e-14'}, 'natural unit of energy in mev': {'quantity': 'natural unit of energy in MeV', 'unit': 'MeV', 'value': '0.5109989461', 'uncertainty': '0.000 000 0031'}, 'natural unit of length': {'quantity': 'natural unit of length', 'unit': 'm', 'value': '386.15926764e-15', 'uncertainty': '0.000 000 18 e-15'}, 'natural unit of mass': {'quantity': 'natural unit of mass', 'unit': 'kg', 'value': '9.10938356e-31', 'uncertainty': '0.000 000 11 e-31'}, 'natural unit of mom.um': {'quantity': 'natural unit of mom.um', 'unit': 'kg m s^{-1}', 'value': '2.730924488e-22', 'uncertainty': '0.000 000 034 e-22'}, 'natural unit of mom.um in mev/c': {'quantity': 'natural unit of mom.um in MeV/c', 'unit': 'MeV/c', 'value': '0.5109989461', 'uncertainty': '0.000 000 0031'}, 'natural unit of time': {'quantity': 'natural unit of time', 'unit': 's', 'value': '1.28808866712e-21', 'uncertainty': '0.000 000 000 58 e-21'}, 'natural unit of velocity': {'quantity': 'natural unit of velocity', 'unit': 'm s^{-1}', 'value': '299792458', 'uncertainty': '(exact)'}, 'neutron compton wavelength': {'quantity': 'neutron Compton wavelength', 'unit': 'm', 'value': '1.31959090481e-15', 'uncertainty': '0.000 000 000 88 e-15'}, 'neutron compton wavelength over 2 pi': {'quantity': 'neutron Compton wavelength over 2 pi', 'unit': 'm', 'value': '0.21001941536e-15', 'uncertainty': '0.000 000 000 14 e-15'}, 'neutron-electron mag. mom. ratio': {'quantity': 'neutron-electron mag. mom. ratio', 'unit': '', 'value': '1.04066882e-3', 'uncertainty': '0.000 000 25 e-3'}, 'neutron-electron mass ratio': {'quantity': 'neutron-electron mass ratio', 'unit': '', 'value': '1838.68366158', 'uncertainty': '0.000 000 90'}, 'neutron g factor': {'quantity': 'neutron g factor', 'unit': '', 'value': '-3.82608545', 'uncertainty': '0.000 000 90'}, 'neutron gyromag. ratio': {'quantity': 'neutron gyromag. ratio', 'unit': 's^{-1} T^{-1}', 'value': '1.83247172e8', 'uncertainty': '0.000 000 43 e8'}, 'neutron gyromag. ratio over 2 pi': {'quantity': 'neutron gyromag. ratio over 2 pi', 'unit': 'MHz T^{-1}', 'value': '29.1646933', 'uncertainty': '0.000 0069'}, 'neutron mag. mom.': {'quantity': 'neutron mag. mom.', 'unit': 'J T^{-1}', 'value': '-0.96623650e-26', 'uncertainty': '0.000 000 23 e-26'}, 'neutron mag. mom. to bohr magneton ratio': {'quantity': 'neutron mag. mom. to Bohr magneton ratio', 'unit': '', 'value': '-1.04187563e-3', 'uncertainty': '0.000 000 25 e-3'}, 'neutron mag. mom. to nuclear magneton ratio': {'quantity': 'neutron mag. mom. to nuclear magneton ratio', 'unit': '', 'value': '-1.91304273', 'uncertainty': '0.000 000 45'}, 'neutron mass': {'quantity': 'neutron mass', 'unit': 'kg', 'value': '1.674927471e-27', 'uncertainty': '0.000 000 021 e-27'}, 'neutron mass energy equivalent': {'quantity': 'neutron mass energy equivalent', 'unit': 'J', 'value': '1.505349739e-10', 'uncertainty': '0.000 000 019 e-10'}, 'neutron mass energy equivalent in mev': {'quantity': 'neutron mass energy equivalent in MeV', 'unit': 'MeV', 'value': '939.5654133', 'uncertainty': '0.000 0058'}, 'neutron mass in u': {'quantity': 'neutron mass in u', 'unit': 'u', 'value': '1.00866491588', 'uncertainty': '0.000 000 000 49'}, 'neutron molar mass': {'quantity': 'neutron molar mass', 'unit': 'kg mol^{-1}', 'value': '1.00866491588e-3', 'uncertainty': '0.000 000 000 49 e-3'}, 'neutron-muon mass ratio': {'quantity': 'neutron-muon mass ratio', 'unit': '', 'value': '8.89248408', 'uncertainty': '0.000 000 20'}, 'neutron-proton mag. mom. ratio': {'quantity': 'neutron-proton mag. mom. ratio', 'unit': '', 'value': '-0.68497934', 'uncertainty': '0.000 000 16'}, 'neutron-proton mass difference': {'quantity': 'neutron-proton mass difference', 'unit': '', 'value': '2.30557377e-30', 'uncertainty': '0.000 000 85 e-30'}, 'neutron-proton mass difference energy equivalent': {'quantity': 'neutron-proton mass difference energy equivalent', 'unit': '', 'value': '2.07214637e-13', 'uncertainty': '0.000 000 76 e-13'}, 'neutron-proton mass difference energy equivalent in mev': {'quantity': 'neutron-proton mass difference energy equivalent in MeV', 'unit': '', 'value': '1.29333205', 'uncertainty': '0.000 000 48'}, 'neutron-proton mass difference in u': {'quantity': 'neutron-proton mass difference in u', 'unit': '', 'value': '0.00138844900', 'uncertainty': '0.000 000 000 51'}, 'neutron-proton mass ratio': {'quantity': 'neutron-proton mass ratio', 'unit': '', 'value': '1.00137841898', 'uncertainty': '0.000 000 000 51'}, 'neutron-tau mass ratio': {'quantity': 'neutron-tau mass ratio', 'unit': '', 'value': '0.528790', 'uncertainty': '0.000 048'}, 'neutron to shielded proton mag. mom. ratio': {'quantity': 'neutron to shielded proton mag. mom. ratio', 'unit': '', 'value': '-0.68499694', 'uncertainty': '0.000 000 16'}, 'newtonian constant of gravitation': {'quantity': 'Newtonian constant of gravitation', 'unit': 'm^3 kg^{-1} s^{-2}', 'value': '6.67408e-11', 'uncertainty': '0.000 31 e-11'}, 'newtonian constant of gravitation over h-bar c': {'quantity': 'Newtonian constant of gravitation over h-bar c', 'unit': '(GeV/c^2)^-2', 'value': '6.70861e-39', 'uncertainty': '0.000 31 e-39'}, 'nuclear magneton': {'quantity': 'nuclear magneton', 'unit': 'J T^{-1}', 'value': '5.050783699e-27', 'uncertainty': '0.000 000 031 e-27'}, 'nuclear magneton in ev/t': {'quantity': 'nuclear magneton in eV/T', 'unit': 'eV T^{-1}', 'value': '3.1524512550e-8', 'uncertainty': '0.000 000 0015 e-8'}, 'nuclear magneton in inverse meters per tesla': {'quantity': 'nuclear magneton in inverse meters per tesla', 'unit': 'm^{-1} T^{-1}', 'value': '2.542623432e-2', 'uncertainty': '0.000 000 016 e-2'}, 'nuclear magneton in k/t': {'quantity': 'nuclear magneton in K/T', 'unit': 'K T^{-1}', 'value': '3.6582690e-4', 'uncertainty': '0.000 0021 e-4'}, 'nuclear magneton in mhz/t': {'quantity': 'nuclear magneton in MHz/T', 'unit': 'MHz T^{-1}', 'value': '7.622593285', 'uncertainty': '0.000 000 047'}, 'planck constant': {'quantity': 'Planck constant', 'unit': 'J s', 'value': '6.626070040e-34', 'uncertainty': '0.000 000 081 e-34'}, 'planck constant in ev s': {'quantity': 'Planck constant in eV s', 'unit': 'eV s', 'value': '4.135667662e-15', 'uncertainty': '0.000 000 025 e-15'}, 'planck constant over 2 pi': {'quantity': 'Planck constant over 2 pi', 'unit': 'J s', 'value': '1.054571800e-34', 'uncertainty': '0.000 000 013 e-34'}, 'planck constant over 2 pi in ev s': {'quantity': 'Planck constant over 2 pi in eV s', 'unit': 'eV s', 'value': '6.582119514e-16', 'uncertainty': '0.000 000 040 e-16'}, 'planck constant over 2 pi times c in mev fm': {'quantity': 'Planck constant over 2 pi times c in MeV fm', 'unit': 'MeV fm', 'value': '197.3269788', 'uncertainty': '0.000 0012'}, 'planck length': {'quantity': 'Planck length', 'unit': 'm', 'value': '1.616229e-35', 'uncertainty': '0.000 038 e-35'}, 'planck mass': {'quantity': 'Planck mass', 'unit': 'kg', 'value': '2.176470e-8', 'uncertainty': '0.000 051 e-8'}, 'planck mass energy equivalent in gev': {'quantity': 'Planck mass energy equivalent in GeV', 'unit': 'GeV', 'value': '1.220910e19', 'uncertainty': '0.000 029 e19'}, 'planck temperature': {'quantity': 'Planck temperature', 'unit': 'K', 'value': '1.416808e32', 'uncertainty': '0.000 033 e32'}, 'planck time': {'quantity': 'Planck time', 'unit': 's', 'value': '5.39116e-44', 'uncertainty': '0.000 13 e-44'}, 'proton charge to mass quotient': {'quantity': 'proton charge to mass quotient', 'unit': 'C kg^{-1}', 'value': '9.578833226e7', 'uncertainty': '0.000 000 059 e7'}, 'proton compton wavelength': {'quantity': 'proton Compton wavelength', 'unit': 'm', 'value': '1.32140985396e-15', 'uncertainty': '0.000 000 000 61 e-15'}, 'proton compton wavelength over 2 pi': {'quantity': 'proton Compton wavelength over 2 pi', 'unit': 'm', 'value': '0.210308910109e-15', 'uncertainty': '0.000 000 000 097 e-15'}, 'proton-electron mass ratio': {'quantity': 'proton-electron mass ratio', 'unit': '', 'value': '1836.15267389', 'uncertainty': '0.000 000 17'}, 'proton g factor': {'quantity': 'proton g factor', 'unit': '', 'value': '5.585694702', 'uncertainty': '0.000 000 017'}, 'proton gyromag. ratio': {'quantity': 'proton gyromag. ratio', 'unit': 's^{-1} T^{-1}', 'value': '2.675221900e8', 'uncertainty': '0.000 000 018 e8'}, 'proton gyromag. ratio over 2 pi': {'quantity': 'proton gyromag. ratio over 2 pi', 'unit': 'MHz T^{-1}', 'value': '42.57747892', 'uncertainty': '0.000 000 29'}, 'proton mag. mom.': {'quantity': 'proton mag. mom.', 'unit': 'J T^{-1}', 'value': '1.4106067873e-26', 'uncertainty': '0.000 000 0097 e-26'}, 'proton mag. mom. to bohr magneton ratio': {'quantity': 'proton mag. mom. to Bohr magneton ratio', 'unit': '', 'value': '1.5210322053e-3', 'uncertainty': '0.000 000 0046 e-3'}, 'proton mag. mom. to nuclear magneton ratio': {'quantity': 'proton mag. mom. to nuclear magneton ratio', 'unit': '', 'value': '2.7928473508', 'uncertainty': '0.000 000 0085'}, 'proton mag. shielding correction': {'quantity': 'proton mag. shielding correction', 'unit': '', 'value': '25.691e-6', 'uncertainty': '0.011 e-6'}, 'proton mass': {'quantity': 'proton mass', 'unit': 'kg', 'value': '1.672621898e-27', 'uncertainty': '0.000 000 021 e-27'}, 'proton mass energy equivalent': {'quantity': 'proton mass energy equivalent', 'unit': 'J', 'value': '1.503277593e-10', 'uncertainty': '0.000 000 018 e-10'}, 'proton mass energy equivalent in mev': {'quantity': 'proton mass energy equivalent in MeV', 'unit': 'MeV', 'value': '938.2720813', 'uncertainty': '0.000 0058'}, 'proton mass in u': {'quantity': 'proton mass in u', 'unit': 'u', 'value': '1.007276466879', 'uncertainty': '0.000 000 000 091'}, 'proton molar mass': {'quantity': 'proton molar mass', 'unit': 'kg mol^{-1}', 'value': '1.007276466879e-3', 'uncertainty': '0.000 000 000 091 e-3'}, 'proton-muon mass ratio': {'quantity': 'proton-muon mass ratio', 'unit': '', 'value': '8.88024338', 'uncertainty': '0.000 000 20'}, 'proton-neutron mag. mom. ratio': {'quantity': 'proton-neutron mag. mom. ratio', 'unit': '', 'value': '-1.45989805', 'uncertainty': '0.000 000 34'}, 'proton-neutron mass ratio': {'quantity': 'proton-neutron mass ratio', 'unit': '', 'value': '0.99862347844', 'uncertainty': '0.000 000 000 51'}, 'proton rms charge radius': {'quantity': 'proton rms charge radius', 'unit': 'm', 'value': '0.8751e-15', 'uncertainty': '0.0061 e-15'}, 'proton-tau mass ratio': {'quantity': 'proton-tau mass ratio', 'unit': '', 'value': '0.528063', 'uncertainty': '0.000 048'}, 'quantum of circulation': {'quantity': 'quantum of circulation', 'unit': 'm^2 s^{-1}', 'value': '3.6369475486e-4', 'uncertainty': '0.000 000 0017 e-4'}, 'quantum of circulation times 2': {'quantity': 'quantum of circulation times 2', 'unit': 'm^2 s^{-1}', 'value': '7.2738950972e-4', 'uncertainty': '0.000 000 0033 e-4'}, 'rydberg constant': {'quantity': 'Rydberg constant', 'unit': 'm^{-1}', 'value': '10973731.568508', 'uncertainty': '0.000 065'}, 'rydberg constant times c in hz': {'quantity': 'Rydberg constant times c in Hz', 'unit': 'Hz', 'value': '3.289841960355e15', 'uncertainty': '0.000 000 000 019 e15'}, 'rydberg constant times hc in ev': {'quantity': 'Rydberg constant times hc in eV', 'unit': 'eV', 'value': '13.605693009', 'uncertainty': '0.000 000 084'}, 'rydberg constant times hc in j': {'quantity': 'Rydberg constant times hc in J', 'unit': 'J', 'value': '2.179872325e-18', 'uncertainty': '0.000 000 027 e-18'}, 'sackur-tetrode constant (1 k, 100 kpa)': {'quantity': 'Sackur-Tetrode constant (1 K, 100 kPa)', 'unit': '', 'value': '-1.1517084', 'uncertainty': '0.000 0014'}, 'sackur-tetrode constant (1 k, 101.325 kpa)': {'quantity': 'Sackur-Tetrode constant (1 K, 101.325 kPa)', 'unit': '', 'value': '-1.1648714', 'uncertainty': '0.000 0014'}, 'second radiation constant': {'quantity': 'second radiation constant', 'unit': 'm K', 'value': '1.43877736e-2', 'uncertainty': '0.000 000 83 e-2'}, 'shielded helion gyromag. ratio': {'quantity': 'shielded helion gyromag. ratio', 'unit': 's^{-1} T^{-1}', 'value': '2.037894585e8', 'uncertainty': '0.000 000 027 e8'}, 'shielded helion gyromag. ratio over 2 pi': {'quantity': 'shielded helion gyromag. ratio over 2 pi', 'unit': 'MHz T^{-1}', 'value': '32.43409966', 'uncertainty': '0.000 000 43'}, 'shielded helion mag. mom.': {'quantity': 'shielded helion mag. mom.', 'unit': 'J T^{-1}', 'value': '-1.074553080e-26', 'uncertainty': '0.000 000 014 e-26'}, 'shielded helion mag. mom. to bohr magneton ratio': {'quantity': 'shielded helion mag. mom. to Bohr magneton ratio', 'unit': '', 'value': '-1.158671471e-3', 'uncertainty': '0.000 000 014 e-3'}, 'shielded helion mag. mom. to nuclear magneton ratio': {'quantity': 'shielded helion mag. mom. to nuclear magneton ratio', 'unit': '', 'value': '-2.127497720', 'uncertainty': '0.000 000 025'}, 'shielded helion to proton mag. mom. ratio': {'quantity': 'shielded helion to proton mag. mom. ratio', 'unit': '', 'value': '-0.7617665603', 'uncertainty': '0.000 000 0092'}, 'shielded helion to shielded proton mag. mom. ratio': {'quantity': 'shielded helion to shielded proton mag. mom. ratio', 'unit': '', 'value': '-0.7617861313', 'uncertainty': '0.000 000 0033'}, 'shielded proton gyromag. ratio': {'quantity': 'shielded proton gyromag. ratio', 'unit': 's^{-1} T^{-1}', 'value': '2.675153171e8', 'uncertainty': '0.000 000 033 e8'}, 'shielded proton gyromag. ratio over 2 pi': {'quantity': 'shielded proton gyromag. ratio over 2 pi', 'unit': 'MHz T^{-1}', 'value': '42.57638507', 'uncertainty': '0.000 000 53'}, 'shielded proton mag. mom.': {'quantity': 'shielded proton mag. mom.', 'unit': 'J T^{-1}', 'value': '1.410570547e-26', 'uncertainty': '0.000 000 018 e-26'}, 'shielded proton mag. mom. to bohr magneton ratio': {'quantity': 'shielded proton mag. mom. to Bohr magneton ratio', 'unit': '', 'value': '1.520993128e-3', 'uncertainty': '0.000 000 017 e-3'}, 'shielded proton mag. mom. to nuclear magneton ratio': {'quantity': 'shielded proton mag. mom. to nuclear magneton ratio', 'unit': '', 'value': '2.792775600', 'uncertainty': '0.000 000 030'}, 'speed of light in vacuum': {'quantity': 'speed of light in vacuum', 'unit': 'm s^{-1}', 'value': '299792458', 'uncertainty': '(exact)'}, 'standard acceleration of gravity': {'quantity': 'standard acceleration of gravity', 'unit': 'm s^{-2}', 'value': '9.80665', 'uncertainty': '(exact)'}, 'standard atmosphere': {'quantity': 'standard atmosphere', 'unit': 'Pa', 'value': '101325', 'uncertainty': '(exact)'}, 'standard-state pressure': {'quantity': 'standard-state pressure', 'unit': 'Pa', 'value': '100000', 'uncertainty': '(exact)'}, 'stefan-boltzmann constant': {'quantity': 'Stefan-Boltzmann constant', 'unit': 'W m^{-2} K^{-4}', 'value': '5.670367e-8', 'uncertainty': '0.000 013 e-8'}, 'tau compton wavelength': {'quantity': 'tau Compton wavelength', 'unit': 'm', 'value': '0.697787e-15', 'uncertainty': '0.000 063 e-15'}, 'tau compton wavelength over 2 pi': {'quantity': 'tau Compton wavelength over 2 pi', 'unit': 'm', 'value': '0.111056e-15', 'uncertainty': '0.000 010 e-15'}, 'tau-electron mass ratio': {'quantity': 'tau-electron mass ratio', 'unit': '', 'value': '3477.15', 'uncertainty': '0.31'}, 'tau mass': {'quantity': 'tau mass', 'unit': 'kg', 'value': '3.16747e-27', 'uncertainty': '0.000 29 e-27'}, 'tau mass energy equivalent': {'quantity': 'tau mass energy equivalent', 'unit': 'J', 'value': '2.84678e-10', 'uncertainty': '0.000 26 e-10'}, 'tau mass energy equivalent in mev': {'quantity': 'tau mass energy equivalent in MeV', 'unit': 'MeV', 'value': '1776.82', 'uncertainty': '0.16'}, 'tau mass in u': {'quantity': 'tau mass in u', 'unit': 'u', 'value': '1.90749', 'uncertainty': '0.000 17'}, 'tau molar mass': {'quantity': 'tau molar mass', 'unit': 'kg mol^{-1}', 'value': '1.90749e-3', 'uncertainty': '0.000 17 e-3'}, 'tau-muon mass ratio': {'quantity': 'tau-muon mass ratio', 'unit': '', 'value': '16.8167', 'uncertainty': '0.0015'}, 'tau-neutron mass ratio': {'quantity': 'tau-neutron mass ratio', 'unit': '', 'value': '1.89111', 'uncertainty': '0.000 17'}, 'tau-proton mass ratio': {'quantity': 'tau-proton mass ratio', 'unit': '', 'value': '1.89372', 'uncertainty': '0.000 17'}, 'thomson cross section': {'quantity': 'Thomson cross section', 'unit': 'm^2', 'value': '0.66524587158e-28', 'uncertainty': '0.000 000 000 91 e-28'}, 'triton-electron mass ratio': {'quantity': 'triton-electron mass ratio', 'unit': '', 'value': '5496.92153588', 'uncertainty': '0.000 000 26'}, 'triton g factor': {'quantity': 'triton g factor', 'unit': '', 'value': '5.957924920', 'uncertainty': '0.000 000 028'}, 'triton mag. mom.': {'quantity': 'triton mag. mom.', 'unit': 'J T^{-1}', 'value': '1.504609503e-26', 'uncertainty': '0.000 000 012 e-26'}, 'triton mag. mom. to bohr magneton ratio': {'quantity': 'triton mag. mom. to Bohr magneton ratio', 'unit': '', 'value': '1.6223936616e-3', 'uncertainty': '0.000 000 0076 e-3'}, 'triton mag. mom. to nuclear magneton ratio': {'quantity': 'triton mag. mom. to nuclear magneton ratio', 'unit': '', 'value': '2.978962460', 'uncertainty': '0.000 000 014'}, 'triton mass': {'quantity': 'triton mass', 'unit': 'kg', 'value': '5.007356665e-27', 'uncertainty': '0.000 000 062 e-27'}, 'triton mass energy equivalent': {'quantity': 'triton mass energy equivalent', 'unit': 'J', 'value': '4.500387735e-10', 'uncertainty': '0.000 000 055 e-10'}, 'triton mass energy equivalent in mev': {'quantity': 'triton mass energy equivalent in MeV', 'unit': 'MeV', 'value': '2808.921112', 'uncertainty': '0.000 017'}, 'triton mass in u': {'quantity': 'triton mass in u', 'unit': 'u', 'value': '3.01550071632', 'uncertainty': '0.000 000 000 11'}, 'triton molar mass': {'quantity': 'triton molar mass', 'unit': 'kg mol^{-1}', 'value': '3.01550071632e-3', 'uncertainty': '0.000 000 000 11 e-3'}, 'triton-proton mass ratio': {'quantity': 'triton-proton mass ratio', 'unit': '', 'value': '2.99371703348', 'uncertainty': '0.000 000 000 22'}, 'unified atomic mass unit': {'quantity': 'unified atomic mass unit', 'unit': 'kg', 'value': '1.660539040e-27', 'uncertainty': '0.000 000 020 e-27'}, 'von klitzing constant': {'quantity': 'von Klitzing constant', 'unit': 'ohm', 'value': '25812.8074555', 'uncertainty': '0.000 0059'}, 'weak mixing angle': {'quantity': 'weak mixing angle', 'unit': '', 'value': '0.2223', 'uncertainty': '0.0021'}, 'wien frequency displacement law constant': {'quantity': 'Wien frequency displacement law constant', 'unit': 'Hz K^{-1}', 'value': '5.8789238e10', 'uncertainty': '0.000 0034 e10'}, 'wien wavelength displacement law constant': {'quantity': 'Wien wavelength displacement law constant', 'unit': 'm K', 'value': '2.8977729e-3', 'uncertainty': '0.000 0017 e-3'}}}
error: Bad exit status from /var/tmp/rpm-tmp.1xi4Zs (%check)
susilehtola commented 5 years ago

With 0.3.0 I get

+ umask 022
+ cd /home/jzlehtol/rpmbuild/BUILD
+ cd QCElemental-0.3.0
+ /usr/bin/python3 setup.py test
/usr/lib/python3.7/site-packages/setuptools/dist.py:398: UserWarning: Normalizing 'v0.3.0' to '0.3.0'
  normalized_version,
running test
running egg_info
writing qcelemental.egg-info/PKG-INFO
writing dependency_links to qcelemental.egg-info/dependency_links.txt
writing requirements to qcelemental.egg-info/requires.txt
writing top-level names to qcelemental.egg-info/top_level.txt
reading manifest file 'qcelemental.egg-info/SOURCES.txt'
reading manifest template 'MANIFEST.in'
warning: no files found matching '*.json' under directory 'qcelemental'
writing manifest file 'qcelemental.egg-info/SOURCES.txt'
running build_ext
Traceback (most recent call last):
  File "setup.py", line 55, in <module>
    long_description_content_type="text/markdown"
  File "/usr/lib/python3.7/site-packages/setuptools/__init__.py", line 140, in setup
    return distutils.core.setup(**attrs)
  File "/usr/lib64/python3.7/distutils/core.py", line 148, in setup
    dist.run_commands()
  File "/usr/lib64/python3.7/distutils/dist.py", line 966, in run_commands
    self.run_command(cmd)
  File "/usr/lib64/python3.7/distutils/dist.py", line 985, in run_command
    cmd_obj.run()
  File "/usr/lib/python3.7/site-packages/setuptools/command/test.py", line 228, in run
    self.run_tests()
  File "/usr/lib/python3.7/site-packages/setuptools/command/test.py", line 250, in run_tests
    exit=False,
  File "/usr/lib64/python3.7/unittest/main.py", line 100, in __init__
    self.parseArgs(argv)
  File "/usr/lib64/python3.7/unittest/main.py", line 124, in parseArgs
    self._do_discovery(argv[2:])
  File "/usr/lib64/python3.7/unittest/main.py", line 244, in _do_discovery
    self.createTests(from_discovery=True, Loader=Loader)
  File "/usr/lib64/python3.7/unittest/main.py", line 154, in createTests
    self.test = loader.discover(self.start, self.pattern, self.top)
  File "/usr/lib64/python3.7/unittest/loader.py", line 347, in discover
    tests = list(self._find_tests(start_dir, pattern))
  File "/usr/lib64/python3.7/unittest/loader.py", line 404, in _find_tests
    full_path, pattern, namespace)
  File "/usr/lib64/python3.7/unittest/loader.py", line 481, in _find_test_path
    tests = self.loadTestsFromModule(package, pattern=pattern)
  File "/usr/lib/python3.7/site-packages/setuptools/command/test.py", line 54, in loadTestsFromModule
    tests.append(self.loadTestsFromName(submodule))
  File "/usr/lib64/python3.7/unittest/loader.py", line 191, in loadTestsFromName
    return self.loadTestsFromModule(obj)
  File "/usr/lib/python3.7/site-packages/setuptools/command/test.py", line 54, in loadTestsFromModule
    tests.append(self.loadTestsFromName(submodule))
  File "/usr/lib64/python3.7/unittest/loader.py", line 214, in loadTestsFromName
    raise TypeError("don't know how to make test from: %s" % obj)
TypeError: don't know how to make test from: [1.007825035, 4.00260324, 7.016003, 9.0121822, 11.0093054, 12.0, 14.003074002, 15.99491463, 18.99840322, 19.9924356, 22.9897677, 23.9850423, 26.9815386, 27.9769271, 30.973762, 31.9720707, 34.968852721, 39.9623837, 38.9637074, 39.9625906, 44.95591, 47.9479473, 50.9439617, 51.9405098, 54.9380471, 55.9349393, 58.9331976, 57.9353462, 62.9295989, 63.9291448, 68.92558, 73.9211774, 74.9215942, 79.9165196, 78.9183361, 83.911507, 84.911794, 87.9056188, 88.905849, 89.9047026, 92.9063772, 97.9054073, 97.907215, 101.9043485, 102.9055, 105.903478, 106.905092, 113.903357, 114.903882, 119.9021991, 120.9038212, 129.906229, 126.904473, 131.904144, 132.905429, 137.905232, 138.906347, 139.905433, 140.907647, 141.907719, 144.912743, 151.919728, 152.921225, 157.924019, 158.925342, 163.929171, 164.930319, 165.93029, 168.934212, 173.938859, 174.94077, 179.9465457, 180.947462, 183.950928, 186.955744, 191.961467, 192.962917, 194.964766, 196.966543, 201.970617, 204.974401, 207.976627, 208.980374, 208.982404, 209.987126, 222.017571, 223.019736, 226.02541, 227.027752, 232.038055, 231.035884, 238.050788, 237.048173, 244.064204, 243.061381, 247.070354, 247.074987, 251.079587, 252.08298, 257.095105, 258.098431, 259.10103, 262.10963, 265.1167, 268.12545, 271.13347, 272.13803, 270.13465, 276.15116, 281.16206, 280.16447, 285.17411]
error: Bad exit status from /var/tmp/rpm-tmp.1Qk5xV (%check)
loriab commented 5 years ago

Just FYI, psi4 v1.3 requires only qcel v0.1.3 because I didn't want to unnecessarily impose the pydantic requirement on them (or you, the packager). Nevertheless, I already have psi4 PRs that use v0.3.0, so probably good to get it packaged.

susilehtola commented 5 years ago

Well, I can't package qcel 0.1.3 since it's not the newest version...