MAINT: limit dependencies in Binder environment

.cspell.json

@@ -15,11 +15,13 @@
     ],
     "ignorePaths": [
         "**/.cspell.json",
+        ".github/workflows",
         ".gitignore",
         ".pre-commit-config.yaml",
         ".vscode/*",
         "environment.yml",
         "pyproject.toml",
+        "requirements*.in",
         "requirements*.txt",
         "tox.ini"
     ],

.github/workflows/constraints.yml

@@ -0,0 +1,91 @@
+name: Requirements
+
+on:
+  pull_request:
+    branches:
+      - main
+      - epic/*
+      - "[0-9]+.[0-9]+.x"
+  workflow_dispatch:
+
+jobs:
+  pip-constraints:
+    if: >-
+      github.event_name == 'workflow_dispatch' ||
+      github.event.pull_request.head.repo.full_name == github.repository
+    name: Update pip constraints
+    runs-on: ubuntu-22.04
+    steps:
+      - uses: actions/checkout@v3
+      - uses: actions/setup-python@v4
+        with:
+          python-version: "3.8"
+      - run: pip install pip-tools
+      - run: pip-compile --no-annotate --strip-extras --upgrade binder/requirements.in
+      - run: pip-compile --no-annotate --strip-extras --upgrade requirements.in
+      - uses: actions/upload-artifact@v3
+        with:
+          path: |
+            binder/requirements.txt
+            requirements.txt
+
+  pre-commit:
+    name: pre-commit autoupdate
+    if: >-
+      github.event_name == 'workflow_dispatch' ||
+      github.event.pull_request.head.repo.full_name == github.repository
+    runs-on: ubuntu-22.04
+    steps:
+      - uses: actions/checkout@v3
+      - uses: ComPWA/update-pre-commit@main
+
+  push:
+    name: Push changes
+    runs-on: ubuntu-22.04
+    needs:
+      - pip-constraints
+      - pre-commit
+    steps:
+      - uses: actions/checkout@v3
+        with:
+          token: ${{ secrets.PAT }}
+      - uses: actions/download-artifact@v3
+      - run: ls -A
+      - name: Move artifacts to correct location
+        run: |
+          if [[ -d artifact ]]; then
+            cd artifact
+            ls -A
+            for path in .pre-commit-config.yaml requirements.txt binder/requirements.txt; do
+              [[ -f $path ]] && mv -f $path ../$path
+            done
+          fi
+      - run: git status -s
+      - name: Commit and push changes
+        if: github.event_name == 'pull_request'
+        run: |
+          git remote set-url origin https://x-access-token:${{ secrets.PAT }}@github.com/${{ github.repository }}
+          git config --global user.name "GitHub"
+          git config --global user.email "[email protected]"
+          git checkout -b ${{ github.head_ref }}
+          if [[ $(git status -s) ]]; then
+            git add -A
+            git commit -m "MAINT: update pip constraints and pre-commit"
+            git config pull.rebase true
+            git pull origin ${{ github.head_ref }}
+            git push origin HEAD:${{ github.head_ref }}
+          fi
+      - name: Create Pull Request
+        if: >-
+          github.event_name == 'workflow_dispatch'
+        uses: peter-evans/create-pull-request@v4
+        with:
+          commit-message: "MAINT: update pip constraints and pre-commit"
+          committer: GitHub <[email protected]>
+          author: GitHub <[email protected]>
+          title: "MAINT: update pip constraints and pre-commit"
+          labels: |
+            🔨 Maintenance
+          branch-suffix: timestamp
+          delete-branch: true
+          token: ${{ secrets.PAT }}

.gitignore

@@ -1,3 +1,4 @@
 *.csv
 .ipynb_checkpoints/
 .tox/
+condaenv.*.requirements.txt

.pre-commit-config.yaml

@@ -59,6 +59,7 @@ repos:
           - >
             cell.metadata.code_folding
             cell.metadata.id
+            cell.metadata.user_expressions
             metadata.celltoolbar
             metadata.colab.name
             metadata.colab.provenance
@@ -70,8 +71,9 @@ repos:
             metadata.toc-showmarkdowntxt
             metadata.toc-showtags
             metadata.varInspector
+            metadata.vscode
 
   - repo: https://github.com/pre-commit/mirrors-prettier
-    rev: v3.0.0-alpha.6
+    rev: v3.0.0-alpha.9-for-vscode
     hooks:
       - id: prettier

.vscode/extensions.json

@@ -4,11 +4,11 @@
     "eamodio.gitlens",
     "editorconfig.editorconfig",
     "esbenp.prettier-vscode",
+    "github.vscode-github-actions",
     "ms-python.python",
     "ms-vsliveshare.vsliveshare",
     "redhat.vscode-yaml",
     "streetsidesoftware.code-spell-checker",
-    "travisillig.vscode-json-stable-stringify",
     "tyriar.sort-lines",
     "yzhang.markdown-all-in-one"
   ]

.vscode/settings.json

@@ -24,13 +24,13 @@
   },
   "cSpell.enabled": true,
   "editor.formatOnSave": true,
-  "editor.rulers": [80],
+  "editor.rulers": [88],
   "git.rebaseWhenSync": true,
   "python.analysis.autoImportCompletions": false,
   "python.analysis.diagnosticMode": "workspace",
   "python.formatting.provider": "black",
   "python.languageServer": "Pylance",
   "python.linting.enabled": false,
   "python.testing.unittestEnabled": false,
-  "rewrap.wrappingColumn": 79
+  "rewrap.wrappingColumn": 88
 }

2021.11.29/ampform.ipynb

@@ -61,10 +61,7 @@
     "    create_analytic_breit_wigner,\n",
     "    create_relativistic_breit_wigner_with_ff,\n",
     ")\n",
-    "from ampform.dynamics.kmatrix import (\n",
-    "    NonRelativisticKMatrix,\n",
-    "    RelativisticKMatrix,\n",
-    ")\n",
+    "from ampform.dynamics.kmatrix import NonRelativisticKMatrix, RelativisticKMatrix\n",
     "from IPython.display import Math, display\n",
     "from sympy.physics.quantum.spin import WignerD"
    ]
@@ -139,9 +136,7 @@
    },
    "outputs": [],
    "source": [
-    "dot = qrules.io.asdot(\n",
-    "    reaction, collapse_graphs=True, render_final_state_id=True\n",
-    ")\n",
+    "dot = qrules.io.asdot(reaction, collapse_graphs=True, render_final_state_id=True)\n",
     "graphviz.Source(dot)"
    ]
   },
@@ -296,7 +291,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.8.12"
+   "version": "3.8.16"
   }
  },
  "nbformat": 4,

2021.11.29/qrules.ipynb

@@ -126,7 +126,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.8.12"
+   "version": "3.8.16"
   }
  },
  "nbformat": 4,

2021.11.29/tensorwaves-0.3.4.ipynb

@@ -70,11 +70,7 @@
     "from jax.lib import xla_bridge\n",
     "from matplotlib import cm\n",
     "from tensorflow.python.ops.numpy_ops import np_config\n",
-    "from tensorwaves.data import (\n",
-    "    TFUniformRealNumberGenerator,\n",
-    "    generate_data,\n",
-    "    generate_phsp,\n",
-    ")\n",
+    "from tensorwaves.data import TFUniformRealNumberGenerator, generate_data, generate_phsp\n",
     "from tensorwaves.data.transform import HelicityTransformer\n",
     "from tensorwaves.estimator import UnbinnedNLL\n",
     "from tensorwaves.model import LambdifiedFunction, SympyModel\n",
@@ -123,9 +119,7 @@
     "    colors = [cm.rainbow(x) for x in evenly_spaced_interval]\n",
     "    plt.xlabel(\"$m$ [GeV]\")\n",
     "    for i, p in enumerate(resonances):\n",
-    "        plt.gca().axvline(\n",
-    "            x=p.mass, linestyle=\"dotted\", label=p.name, color=colors[i]\n",
-    "        )\n",
+    "        plt.gca().axvline(x=p.mass, linestyle=\"dotted\", label=p.name, color=colors[i])\n",
     "\n",
     "\n",
     "def compare_model(\n",
@@ -300,12 +294,8 @@
    "outputs": [],
    "source": [
     "fig, ax = plt.subplots()\n",
-    "ax.hist(\n",
-    "    np.array(data[\"m_12\"]), density=True, bins=100, alpha=0.5, label=\"data\"\n",
-    ")\n",
-    "ax.hist(\n",
-    "    np.array(phsp[\"m_12\"]), density=True, bins=100, alpha=0.5, label=\"phsp\"\n",
-    ")\n",
+    "ax.hist(np.array(data[\"m_12\"]), density=True, bins=100, alpha=0.5, label=\"data\")\n",
+    "ax.hist(np.array(phsp[\"m_12\"]), density=True, bins=100, alpha=0.5, label=\"phsp\")\n",
     "ax.set_xlabel(R\"$m_{\\pi^0\\pi^0}$\")\n",
     "ax.set_yticks([])\n",
     "plt.legend();"
@@ -445,7 +435,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.8.12"
+   "version": "3.8.16"
   }
  },
  "nbformat": 4,

2021.11.29/tensorwaves.ipynb

@@ -70,11 +70,7 @@
     "from jax.lib import xla_bridge\n",
     "from matplotlib import cm\n",
     "from tensorflow.python.ops.numpy_ops import np_config\n",
-    "from tensorwaves.data import (\n",
-    "    TFUniformRealNumberGenerator,\n",
-    "    generate_data,\n",
-    "    generate_phsp,\n",
-    ")\n",
+    "from tensorwaves.data import TFUniformRealNumberGenerator, generate_data, generate_phsp\n",
     "from tensorwaves.data.transform import HelicityTransformer\n",
     "from tensorwaves.estimator import UnbinnedNLL\n",
     "from tensorwaves.model import LambdifiedFunction, SympyModel\n",
@@ -123,9 +119,7 @@
     "    colors = [cm.rainbow(x) for x in evenly_spaced_interval]\n",
     "    plt.xlabel(\"$m$ [GeV]\")\n",
     "    for i, p in enumerate(resonances):\n",
-    "        plt.gca().axvline(\n",
-    "            x=p.mass, linestyle=\"dotted\", label=p.name, color=colors[i]\n",
-    "        )\n",
+    "        plt.gca().axvline(x=p.mass, linestyle=\"dotted\", label=p.name, color=colors[i])\n",
     "\n",
     "\n",
     "def compare_model(\n",
@@ -300,12 +294,8 @@
    "outputs": [],
    "source": [
     "fig, ax = plt.subplots()\n",
-    "ax.hist(\n",
-    "    np.array(data[\"m_12\"]), density=True, bins=100, alpha=0.5, label=\"data\"\n",
-    ")\n",
-    "ax.hist(\n",
-    "    np.array(phsp[\"m_12\"]), density=True, bins=100, alpha=0.5, label=\"phsp\"\n",
-    ")\n",
+    "ax.hist(np.array(data[\"m_12\"]), density=True, bins=100, alpha=0.5, label=\"data\")\n",
+    "ax.hist(np.array(phsp[\"m_12\"]), density=True, bins=100, alpha=0.5, label=\"phsp\")\n",
     "ax.set_xlabel(R\"$m_{\\pi^0\\pi^0}$\")\n",
     "ax.set_yticks([])\n",
     "plt.legend();"
@@ -445,7 +435,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.8.12"
+   "version": "3.8.16"
   }
  },
  "nbformat": 4,

2021.12.13/ampform.ipynb

@@ -64,10 +64,7 @@
     "    create_analytic_breit_wigner,\n",
     "    create_relativistic_breit_wigner_with_ff,\n",
     ")\n",
-    "from ampform.dynamics.kmatrix import (\n",
-    "    NonRelativisticKMatrix,\n",
-    "    RelativisticKMatrix,\n",
-    ")\n",
+    "from ampform.dynamics.kmatrix import NonRelativisticKMatrix, RelativisticKMatrix\n",
     "from ampform.sympy import UnevaluatedExpression\n",
     "from IPython.display import Math, display\n",
     "from ipywidgets import Checkbox, SelectionSlider, SelectMultiple, ToggleButtons\n",
@@ -148,9 +145,7 @@
    },
    "outputs": [],
    "source": [
-    "dot = qrules.io.asdot(\n",
-    "    reaction, collapse_graphs=True, render_final_state_id=True\n",
-    ")\n",
+    "dot = qrules.io.asdot(reaction, collapse_graphs=True, render_final_state_id=True)\n",
     "graphviz.Source(dot)"
    ]
   },
@@ -247,8 +242,7 @@
     "A_step2 = symplot.partial_doit(A_step1, (BlattWeisskopfSquared, WignerD))\n",
     "A_step2 = symplot.partial_doit(A_step2, EnergyDependentWidth)\n",
     "mass_substitutions = {\n",
-    "    sp.Symbol(f\"m_{i}\", real=True): p.mass\n",
-    "    for i, p in reaction.final_state.items()\n",
+    "    sp.Symbol(f\"m_{i}\", real=True): p.mass for i, p in reaction.final_state.items()\n",
     "}\n",
     "substitutions = {\n",
     "    sp.sqrt(2): sp.sqrt(2).n(),\n",
@@ -452,9 +446,7 @@
    },
    "outputs": [],
    "source": [
-    "mass_symbols = {\n",
-    "    s: Symbol(s.name, **s.assumptions0) for s in mass_substitutions\n",
-    "}\n",
+    "mass_symbols = {s: Symbol(s.name, **s.assumptions0) for s in mass_substitutions}\n",
     "colored_symbols = {\n",
     "    s: sp.Symbol(Rf\"\\color{{RoyalBlue}}{{{s.name}}}\", **s.assumptions0)\n",
     "    for s in mass_substitutions\n",
@@ -477,9 +469,7 @@
    "source": [
     "expr_subs = expr.subs(mass_substitutions)\n",
     "expr_subs = round_nested(expr_subs, n_decimals=2)\n",
-    "node = [\n",
-    "    s for s in sp.preorder_traversal(expr_subs) if isinstance(s, sp.Float)\n",
-    "][0]\n",
+    "node = [s for s in sp.preorder_traversal(expr_subs) if isinstance(s, sp.Float)][0]\n",
     "dot = sp.dotprint(expr_subs.subs(node, Symbol(f\"{node}\")), **graph_style)\n",
     "display(expr_subs.subs(node, sp.Symbol(Rf\"\\color{{RoyalBlue}}{node}\")))\n",
     "graphviz.Source(dot)"
@@ -545,7 +535,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.8.12"
+   "version": "3.8.16"
   }
  },
  "nbformat": 4,

2021.12.13/qrules.ipynb

@@ -170,7 +170,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.8.12"
+   "version": "3.8.16"
   }
  },
  "nbformat": 4,