bump version + fix CI

.github/workflows/linux.yaml

@@ -8,19 +8,19 @@ jobs:
  runs-on: ubuntu-latest
  strategy:
  matrix:
- python-version: ["3.7", "3.8", "3.9", "3.10", "3.11"]
+ python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
 
  steps:
- - uses: actions/checkout@v2
+ - uses: actions/checkout@v4
  - name: Set up Python ${{ matrix.python-version }}
- uses: actions/setup-python@v2
+ uses: actions/setup-python@v5
  with:
  python-version: ${{ matrix.python-version }}
  - name: Install dependencies
  run: |
  python -m pip install --upgrade pip
  pip install flake8 pytest black "black[jupyter]"
- pip install wheel twine
+ pip install wheel setuptools twine
  if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
  - name: Check
  run: |

.github/workflows/mac.yaml

@@ -8,19 +8,19 @@ jobs:
  runs-on: macos-latest
  strategy:
  matrix:
- python-version: ["3.6", "3.7", "3.8", "3.9", "3.10"]
+ python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
 
  steps:
- - uses: actions/checkout@v2
+ - uses: actions/checkout@v4
  - name: Set up Python ${{ matrix.python-version }}
- uses: actions/setup-python@v2
+ uses: actions/setup-python@v5
  with:
  python-version: ${{ matrix.python-version }}
  - name: Install dependencies
  run: |
  python -m pip install --upgrade pip
  pip install flake8 pytest black "black[jupyter]"
- pip install wheel twine
+ pip install wheel setuptools twine
  if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
  - name: Check
  run: |

.github/workflows/pypi_linux.yaml

@@ -8,11 +8,11 @@ jobs:
  deploy:
  runs-on: ubuntu-latest
  steps:
- - uses: actions/checkout@v2
+ - uses: actions/checkout@v4
  - name: Set up Python
- uses: actions/setup-python@v2
+ uses: actions/setup-python@v5
  with:
- python-version: '3.9'
+ python-version: '3.11'
  - name: Install dependencies
  run: |
  python -m pip install --upgrade pip

.github/workflows/pypi_macos.yaml

@@ -9,11 +9,11 @@ jobs:
  runs-on: macos-latest
  strategy:
  matrix:
- python-version: ["3.6", "3.7", "3.8", "3.9", "3.10", "3.11"]
+ python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
  steps:
- - uses: actions/checkout@v2
+ - uses: actions/checkout@v4
  - name: Set up Python ${{ matrix.python-version }}
- uses: actions/setup-python@v2
+ uses: actions/setup-python@v5
  with:
  python-version: ${{ matrix.python-version }}
  - name: Install dependencies

.github/workflows/pypi_windows.yaml

@@ -9,11 +9,11 @@ jobs:
  runs-on: windows-latest
  strategy:
  matrix:
- python-version: ["3.6", "3.7", "3.8", "3.9", "3.10", "3.11"]
+ python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
  steps:
- - uses: actions/checkout@v2
+ - uses: actions/checkout@v4
  - name: Set up Python ${{ matrix.python-version }}
- uses: actions/setup-python@v2
+ uses: actions/setup-python@v5
  with:
  python-version: ${{ matrix.python-version }}
  - name: Install dependencies

.github/workflows/windows.yaml

@@ -8,7 +8,7 @@ jobs:
  runs-on: windows-latest
  strategy:
  matrix:
- python-version: ["3.6", "3.7", "3.8", "3.9", "3.10", "3.11"]
+ python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
 
  steps:
  - uses: actions/checkout@v2
@@ -20,7 +20,7 @@ jobs:
  run: |
  python -m pip install --upgrade pip
  pip install flake8 pytest black "black[jupyter]"
- pip install wheel twine
+ pip install wheel setuptools twine
  pip install -r requirements.txt
  - name: Check
  run: |

arc/__init__.py

@@ -3,7 +3,7 @@
 # this is automatically parsed by Aphinx module in Python, using napoleon addon
 from __future__ import division, print_function, absolute_import
 
-__version__ = "3.4.0"
+__version__ = "3.4.1"
 
 __all__ = [
  "AlkaliAtom",

arc/alkali_atom_functions.py

@@ -49,7 +49,7 @@
 
 
 DPATH = os.path.join(os.path.expanduser("~"), ".arc-data")
-__arc_data_version__ = 10
+__arc_data_version__ = 11
 
 __all__ = [
  "AlkaliAtom",
@@ -2271,9 +2271,7 @@ def _getRadialQuadrupoleSemiClassical(self, n1, l1, j1, n2, l2, j2, s=0.5):
 
  if dl == 0:
  quadrupoleElement = (
- (5.0 / 2.0)
- * nu_c**4
- * (1.0 - (3.0 * l_c**2) / (5 * nu_c**2))
+ (5.0 / 2.0) * nu_c**4 * (1.0 - (3.0 * l_c**2) / (5 * nu_c**2))
  )
  for p in range(0, 2, 1):
  sm += gamma ** (2 * p) * q[2 * p]
@@ -3659,13 +3657,11 @@ def getAngular(self, l1, j1, mj1, l2, j2, mj2, s=0.5):
  angularPart = 0.0
  if abs(l1 - l2 - 1) < 0.1:
  angularPart = (
- (l1**2 - ml**2)
- / ((2.0 * l1 + 1.0) * (2.0 * l1 - 1.0))
+ (l1**2 - ml**2) / ((2.0 * l1 + 1.0) * (2.0 * l1 - 1.0))
  ) ** 0.5
  elif abs(l1 - l2 + 1) < 0.1:
  angularPart = (
- (l2**2 - ml**2)
- / ((2.0 * l2 + 1.0) * (2.0 * l2 - 1.0))
+ (l2**2 - ml**2) / ((2.0 * l2 + 1.0) * (2.0 * l2 - 1.0))
  ) ** 0.5
  sumPart += (
  CG(l1, ml, s, mj1 - ml, j1, mj1)

arc/calculations_atom_single.py

@@ -3575,7 +3575,7 @@ def _buildHamiltonian(self, progressOutput=False, debugOutput=False):
  for ii in range(dimension):
  if progressOutput:
  progress += (dimension - ii) * 2 - 1
- print(f"{progress/dimension**2:.0%}", end="\r")
+ print(f"{progress / dimension**2:.0%}", end="\r")
 
  # add diagonal element
  self.bareEnergies[ii] = (
@@ -3887,7 +3887,7 @@ def diagonalise(
  with it:
  for field, freq in it:
  if progressOutput:
- print(f"{(it.iterindex+1)/it.itersize:.0%}", end="\r")
+ print(f"{(it.iterindex + 1) / it.itersize:.0%}", end="\r")
 
  # define the Shirley Hamiltonian for this combo of field and frequency
  Hf = self.H0 + self.dT * freq + self.B * field
@@ -3930,11 +3930,13 @@ def diagonalise(
  targetShifts[it.multi_index] = targetEnergy - ev[evInd]
 
  if debugOutput:
- print(f"E field {field:.5f} V/m, Freq {freq*1e-9:.3f} GHz")
  print(
- f"Eigenvalue with largest overlap of target state {evInd}: {ev[evInd]*1e-9:.3f} GHz"
+ f"E field {field:.5f} V/m, Freq {freq * 1e-9:.3f} GHz"
  )
- print(f"Shift: {(targetEnergy-ev[evInd])*1e-9:.3e} GHz")
+ print(
+ f"Eigenvalue with largest overlap of target state {evInd}: {ev[evInd] * 1e-9:.3f} GHz"
+ )
+ print(f"Shift: {(targetEnergy - ev[evInd]) * 1e-9:.3e} GHz")
  print(f"Eigenstate: {egvector[evInd]}")
 
  # squeeze out unused dimensions corresponding to single element inputs
@@ -4043,7 +4045,7 @@ def findDipoleCoupledStates(self, debugOutput=False):
  if debugOutput:
  print(f"Found {len(coupledStates):d} dipole coupled states")
  print(
- f"Nearest dipole coupled state is detuned by: {np.abs(self.dipoleCoupledFreqs).min()*1e-9:.3f} GHz"
+ f"Nearest dipole coupled state is detuned by: {np.abs(self.dipoleCoupledFreqs).min() * 1e-9:.3f} GHz"
  )
 
  def _getRabiFrequency2_broadcast(

setup.py

@@ -29,7 +29,7 @@ def __str__(self):
 
 setup(
  name="ARC-Alkali-Rydberg-Calculator",
- version="3.4.0",
+ version="3.4.1",
  description="Alkali Rydberg Calculator",
  long_description=open("README.md").read(),
  long_description_content_type="text/markdown",
@@ -61,7 +61,7 @@ def __str__(self):
  ],
  setup_requires=["oldest-supported-numpy"],
  url="https://github.com/nikolasibalic/ARC-Alkali-Rydberg-Calculator",
- download_url="https://github.com/nikolasibalic/ARC-Alkali-Rydberg-Calculator/archive/refs/tags/v3.4.0.tar.gz",
+ download_url="https://github.com/nikolasibalic/ARC-Alkali-Rydberg-Calculator/archive/refs/tags/v3.4.1.tar.gz",
  author="Nikola Sibalic, Elizabeth J. Robertson, Jonathan D. Pritchard, Robert M. Potvliege, Matthew P. A. Jones, Charles S. Adams, Kevin J. Weatherill, and contributors",
  author_email="nikolasibalic@physics.org",
  packages=["arc", "arc.advanced"],