Fix docs building, add CI to run tests and deploy docs, add MIT License

.github/workflows/ci.yml

@@ -0,0 +1,70 @@
+# from: https://discourse.julialang.org/t/easy-workflow-file-for-setting-up-github-actions-ci-for-your-julia-package/49765
+name: CI
+on:
+  pull_request:
+    branches:
+      - main
+  push:
+    branches:
+      - main
+    tags: '*'
+jobs:
+  test:
+    name: Julia ${{ matrix.version }} - ${{ matrix.os }} - ${{ matrix.arch }} - ${{ github.event_name }}
+    runs-on: ${{ matrix.os }}
+    strategy:
+      fail-fast: false
+      matrix:
+        version:
+          - '1.7' # The minimum Julia version that your package supports. E.g. if your package requires Julia 1.5 or higher, change this to '1.5'.
+          - '1' # Leave this line unchanged. '1' will automatically expand to the latest stable 1.x release of Julia.
+          - 'nightly'
+        os:
+          - ubuntu-latest
+        arch:
+          - x64
+    steps:
+      - uses: actions/checkout@v2
+      - uses: julia-actions/setup-julia@v1
+        with:
+          version: ${{ matrix.version }}
+          arch: ${{ matrix.arch }}
+      - uses: actions/cache@v1
+        env:
+          cache-name: cache-artifacts
+        with:
+          path: ~/.julia/artifacts
+          key: ${{ runner.os }}-test-${{ env.cache-name }}-${{ hashFiles('**/Project.toml') }}
+          restore-keys: |
+            ${{ runner.os }}-test-${{ env.cache-name }}-
+            ${{ runner.os }}-test-
+            ${{ runner.os }}-
+      - uses: julia-actions/julia-buildpkg@v1
+      - uses: julia-actions/julia-runtest@v1
+      - uses: julia-actions/julia-processcoverage@v1
+      - uses: codecov/codecov-action@v1
+        with:
+          file: lcov.info
+  docs:
+    name: Documentation
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v2
+      - uses: julia-actions/setup-julia@v1
+        with:
+          version: '1'
+      - run: |
+          julia --project=docs -e '
+            using Pkg
+            Pkg.develop(PackageSpec(path=pwd()))
+            Pkg.instantiate()'
+      - run: |
+          julia --project=docs -e '
+            using Documenter: doctest, DocMeta
+            using MoleculeSpectrum
+            DocMeta.setdocmeta!(MoleculeSpectrum, :DocTestSetup, :(using MoleculeSpectrum;); recursive=true)
+            doctest(MoleculeSpectrum)'
+      - run: julia --project=docs docs/make.jl
+        env:
+          GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
+          DOCUMENTER_KEY: ${{ secrets.DOCUMENTER_KEY }}

LICENSE

@@ -0,0 +1,21 @@
+MIT License
+
+Copyright (c) 2022 JILA KRb Team
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

README.md

@@ -1,14 +1,20 @@
 # MoleculeSpectrum.jl
 
+[![CI Actions Status](https://github.com/cal-miller-harvard/MoleculeSpectrum/actions/workflows/ci.yml/badge.svg)](https://github.com/cal-miller-harvard/MoleculeSpectrum/actions)
+
 Compute the energy levels of diatomic ${}^{1} \Sigma$ molecules in magnetic, electric, and optical fields.
 
+Documentation is available [here](https://cal-miller-harvard.github.io/MoleculeSpectrum).
+
 # Todo
 - [x] Add transition strengths
 - [ ] Dump to file, and/or dataframes?
 - [ ] Graphing
 - [x] Improve code organization
-- [ ] Documentation
-    - [ ] Make it build!
+- [x] Documentation
+    - [x] Make it build!
+    - [ ] Finish documenting all functions
+    - [ ] Document units of all numeric quantities
 - [ ] Remove unnecessary types in function arguments (?)
 - [ ] API ergonomics
     - [x] ExternalFields

docs/Project.toml

@@ -1,4 +1,3 @@
 [deps]
-HalfIntegers = "f0d1745a-41c9-11e9-1dd9-e5d34d218721"
+Documenter = "e30172f5-a6a5-5a46-863b-614d45cd2de4"
 MoleculeSpectrum = "35893526-f1dd-48d2-8180-97f6707ed43b"
-WignerSymbols = "9f57e263-0b3d-5e2e-b1be-24f2bb48858b"

docs/make.jl

@@ -1,5 +1,18 @@
-push!(LOAD_PATH,"../src/")
-
-using Documenter, MoleculeSpectrum
-
-makedocs(sitename="MoleculeSpectrum documentation")
+push!(LOAD_PATH,"../src/")
+
+using Documenter, MoleculeSpectrum
+
+makedocs(
+    sitename="MoleculeSpectrum Documentation",
+    format = Documenter.HTML(
+        prettyurls = get(ENV, "CI", nothing) == "true"
+    ),
+    pages = [
+        "MoleculeSpectrum" => "index.md",
+        "API Documentation" => "api.md"
+    ]
+)
+
+deploydocs(
+    repo = "github.com/cal-miller-harvard/MoleculeSpectrum.jl.git", #TODO: Change to your username
+)

docs/src/api.md

@@ -0,0 +1,109 @@
+# MoleculeSpectrum.jl API Documentation
+
+```@meta
+    CurrentModule = MoleculeSpectrum
+    DocTestSetup  = quote
+        using MoleculeSpectrum
+    end
+```
+
+## Contents
+```@contents
+    Pages = ["api.md"]
+    Depth = 4
+```
+
+## Molecular Parameters
+### Molecular Parameters
+```@docs
+MolecularParameters
+KRb_Parameters_Neyenhuis
+KRb_Parameters_Ospelkaus
+DEFAULT_MOLECULAR_PARAMETERS
+TOY_MOLECULE_PARAMETERS
+```
+### Polarizability Parameters
+```@docs
+Polarizability
+KRb_Polarizability
+```
+### Zeeman Parameters
+```@docs
+ZeemanParameters
+KRb_Zeeman
+```
+### Nuclear Parameters
+```@docs
+NuclearParameters
+KRb_Nuclear_Neyenhuis
+KRb_Nuclear_Ospelkaus
+```
+
+## Vectors and Tensors
+### Spherical vectors
+```@docs
+SphericalVector
+VectorX
+VectorY
+VectorZ
+```
+### Unit vectors
+```@docs
+SphericalUnitVector
+UnitVectorX
+UnitVectorY
+UnitVectorZ
+```
+### Tensors
+```@docs
+T⁽¹⁾
+T⁽²⁾
+get_tensor_component
+tensor_dot
+```
+
+## States
+### Types
+```@docs
+State
+KRbState
+```
+### Functions
+```@docs
+index_to_state
+state_to_index
+order_by_overlap_with
+max_overlap_with
+find_closest_basis_state
+decompose_to_basis_states
+```
+
+## Fields
+```@docs
+ExternalFields
+DEFAULT_FIELDS
+TEST_FIELDS
+```
+
+## Hamiltonians
+```@docs
+hamiltonian
+HamiltonianParts
+make_hamiltonian_parts
+make_krb_hamiltonian_parts
+```
+
+## Spectra and Analysis
+```@docs
+Spectrum
+calculate_spectrum
+get_energy
+get_energy_difference
+find_transition_strengths
+plot_transition_strengths
+calculate_dipolar_interaction
+```
+
+## Index
+```@index
+```

docs/src/index.md

@@ -1,15 +1,21 @@
-```@meta
-CurrentModule = MoleculeSpectrum
-```
-
-```@docs
-State(N, mₙ, I₁, mᵢ₁, I₂, mᵢ₂)
-```
-
-```@docs
-    plot_transition_strengths(spectrum::Spectrum, g::State, frequency_range; polarization::SphericalUnitVector=Unpolarized())
-```
-
-```@docs
-    transition_strengths(spectrum::Spectrum, g::State, frequency_range; polarization::SphericalUnitVector=Unpolarized())
-```
+# MoleculeSpectrum.jl
+
+Computes the energy levels of diatomic ${}^{1} \Sigma$ molecules in magnetic, electric, and optical fields.
+
+# Todo
+- [x] Add transition strengths
+- [ ] Dump to file, and/or dataframes?
+- [ ] Graphing
+- [x] Improve code organization
+- [ ] Documentation
+    - [ ] Make it build!
+- [ ] Remove unnecessary types in function arguments (?)
+- [ ] API ergonomics
+    - [x] ExternalFields
+    - [ ] Get dipole matrix elements
+    - [ ] More generally... inspect any matrix element?
+    - [ ] Make more `calculate` functions polymorphic over `State`, eigenstate index, etc
+    - [ ] ...
+- [x] Switch to `get_eigenstates` function
+- [x] Explicitly type fields of all structs
+- [ ] Many more tests!!!