Add optional dependencies file (#1219)

### Summary This PR adds `requirements-extras.txt` which contains extra packages that can be installed as `[extras]` and were mostly moved from `requirements-dev.txt`. These are in contrast to the core dependencies in `requirements.txt` and the requirements that are only used for tests, which will stay in `requirements-dev.txt`. ### Details and comments While the optional packages are not related to each other, it seemed too complicated to split out optional dependencies into further categories. There are a few additional changes: - Added `qiskit-ibm-provider>=0.6.1` as an optional dependency since this release adds numpy serialization, which fixes some known bugs with circuit metadata serialization (see also #1176) - Unpinned `scipy` (done in #1164) and bumped `cvxpy` to 1.3.2, which is now compatible with scipy 1.11 - Removed matrix variables from CI workflow that doesn't use them - Updated install and contributing instructions
qiskit-community · Jul 19, 2023 · f4c8686 · f4c8686
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diff --git a/.github/workflows/cron-staging.yml b/.github/workflows/cron-staging.yml
@@ -29,7 +29,7 @@ jobs:
         uses: actions/cache@v3
         with:
           path: ~/.cache/pip
-          key: ${{ runner.os }}-${{ matrix.python-version }}-pip-tests-${{ hashFiles('setup.py','requirements.txt','requirements-dev.txt','constraints.txt') }}
+          key: ${{ runner.os }}-${{ matrix.python-version }}-pip-tests-${{ hashFiles('setup.py','requirements.txt','requirements-extras.txt','requirements-dev.txt','constraints.txt') }}
           restore-keys: |
             ${{ runner.os }}-${{ matrix.python-version }}-pip-tests-
             ${{ runner.os }}-${{ matrix.python-version }}-pip-

diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
@@ -34,7 +34,7 @@ jobs:
         uses: actions/cache@v3
         with:
           path: ~/.cache/pip
-          key: ${{ runner.os }}-${{ matrix.python-version }}-pip-tests-${{ hashFiles('setup.py','requirements.txt','requirements-dev.txt','constraints.txt') }}
+          key: ${{ runner.os }}-${{ matrix.python-version }}-pip-tests-${{ hashFiles('setup.py','requirements.txt','requirements-extras.txt','requirements-dev.txt','constraints.txt') }}
           restore-keys: |
             ${{ runner.os }}-${{ matrix.python-version }}-pip-tests-
             ${{ runner.os }}-${{ matrix.python-version }}-pip-
@@ -72,11 +72,7 @@ jobs:
         uses: actions/cache@v3
         with:
           path: ~/.cache/pip
-          key: ${{ runner.os }}-${{ matrix.python-version }}-pip-lint-${{ hashFiles('setup.py','requirements.txt','requirements-dev.txt','constraints.txt') }}
-          restore-keys: |
-            ${{ runner.os }}-${{ matrix.python-version }}-pip-lint-
-            ${{ runner.os }}-${{ matrix.python-version }}-pip-
-            ${{ runner.os }}-${{ matrix.python-version }}-
+          key: ${{ runner.os }}-pip-lint-${{ hashFiles('setup.py','requirements.txt','requirements-extras.txt','requirements-dev.txt','constraints.txt') }}
       - name: Install Deps
         run: python -m pip install -U tox
       - name: Run lint
@@ -96,11 +92,7 @@ jobs:
         uses: actions/cache@v3
         with:
           path: ~/.cache/pip
-          key: ${{ runner.os }}-${{ matrix.python-version }}-pip-docs-${{ hashFiles('setup.py','requirements.txt','requirements-dev.txt','constraints.txt') }}
-          restore-keys: |
-            ${{ runner.os }}-pip-docs-
-            ${{ runner.os }}-pip-
-            ${{ runner.os }}-
+          key: ${{ runner.os }}-pip-docs-${{ hashFiles('setup.py','requirements.txt','requirements-extras.txt','requirements-dev.txt','constraints.txt') }}
       - name: Install Deps
         run: |
           python -m pip install -U tox

diff --git a/CONTRIBUTING.md b/CONTRIBUTING.md
@@ -72,6 +72,10 @@ When submitting a pull request for review, please ensure that:
 5. If your change has an end user facing impact (new feature, deprecation, removal,
    etc.), you've added or updated a reno release note for that change and tagged the PR
    for the changelog.
+6. If your code requires a change to dependencies, you've updated the corresponding
+   requirements file: `requirements.txt` contain core dependencies,
+   `requirements-extras.txt` for dependencies for optional features, and `requirements-dev.txt`
+   for dependencies required for running tests and building documentation.
 
 The sections below go into more detail on the guidelines for each point.
 
@@ -341,8 +345,8 @@ https://github.com/Qiskit-Extensions/qiskit-experiments` and `git fetch upstream
 
 There are a few other build options available:
 
-* `tox -edocs-minimal`: build documentation without executing Jupyter code cells
-* `tox -edocs-parallel`: do a full build with multiprocessing (may crash on Macs)
+* `tox -e docs-minimal`: build documentation without executing Jupyter code cells
+* `tox -e docs-parallel`: do a full build with multiprocessing (may crash on Macs)
 
 ### Deprecation policy
 

diff --git a/MANIFEST.in b/MANIFEST.in
@@ -1,5 +1,6 @@
 include LICENSE.txt
 include requirements.txt
+include requirements-extras.txt
 include qiskit_experiments/VERSION.txt
 include qiskit_experiments/library/randomized_benchmarking/data/*.npz
 exclude qiskit_experiments/library/randomized_benchmarking/data/generate_clifford_data.py
diff --git a/docs/tutorials/calibrations.rst b/docs/tutorials/calibrations.rst
@@ -34,6 +34,10 @@ This automatic updating can also be disabled using the ``auto_update`` flag.
     This tutorial requires the :mod:`qiskit_dynamics` package to run simulations.
     You can install it with ``python -m pip install qiskit-dynamics``.
 
+.. note::
+    This tutorial requires the ``pandas`` package to visualize calibration tables.
+    You can install it with ``python -m pip install pandas``.
+
 .. jupyter-execute::
 
     import pandas as pd

diff --git a/docs/tutorials/getting_started.rst b/docs/tutorials/getting_started.rst
@@ -17,6 +17,13 @@ in your shell environment:
 
     python -m pip install qiskit-experiments
 
+There are a number of optional packages that enable some experiments and features. If you 
+would like to install these optional dependencies, run:
+
+.. code-block::
+
+    python -m pip install "qiskit-experiments[extras]"
+
 If you want to run the most up-to-date version instead (may not be stable), you can
 install the latest main branch:
 
@@ -30,7 +37,7 @@ cloning the repository:
 .. code-block::
 
     git clone https://github.com/Qiskit-Extensions/qiskit-experiments.git
-    python -m pip install -e qiskit-experiments
+    python -m pip install -e "qiskit-experiments[extras]"
 
 The ``-e`` option will keep your installed package up to date as you make or pull new
 changes.

diff --git a/qiskit_experiments/test/__init__.py b/qiskit_experiments/test/__init__.py
@@ -37,7 +37,6 @@
     MockIQParallelBackend
     T2HahnBackend
     NoisyDelayAerBackend
-    PulseBackend
     SingleTransmonTestBackend
 
 Helpers

diff --git a/releasenotes/notes/requirements-extras-d5768794acbce467.yaml b/releasenotes/notes/requirements-extras-d5768794acbce467.yaml
@@ -0,0 +1,6 @@
+---
+other:
+  - |
+    A new set of optional dependencies have been split off from the developer dependencies and
+    can be installed separately as ``qiskit-experiments[extras]``. These are packages that enable
+    optional experiment features such as ``scikit-learn``-based discriminators.
diff --git a/requirements-dev.txt b/requirements-dev.txt
@@ -12,13 +12,9 @@ reno>=4.0.0
 nbsphinx
 arxiv
 ddt>=1.6.0
-qiskit-aer>=0.11.0
-qiskit_dynamics>=0.4.0
 pandas>=1.1.5
-cvxpy>=1.1.15
 pylatexenc
 multimethod
-scikit-learn
 sphinx-copybutton
 coverage>=5.5
 # Pin versions below because of build errors

diff --git a/requirements-extras.txt b/requirements-extras.txt
@@ -0,0 +1,5 @@
+qiskit-ibm-provider>=0.6.1 # for submitting experiments to backends through the IBM provider
+cvxpy>=1.3.2 # for tomography
+scikit-learn # for discriminators
+qiskit-aer>=0.11.0 # for QV simulations
+qiskit_dynamics>=0.4.0 # for the PulseBackend
diff --git a/requirements.txt b/requirements.txt
@@ -1,7 +1,5 @@
 numpy>=1.17
-# temporary maximum version limit due to cvxpy incompatibility
-# see https://github.com/cvxpy/cvxpy/issues/2158
-scipy>=1.4,<1.11.0
+scipy>=1.4
 qiskit-terra>=0.24
 qiskit-ibm-experiment>=0.3.3
 matplotlib>=3.4

diff --git a/setup.py b/setup.py
@@ -18,6 +18,8 @@
 with open("requirements.txt", encoding="utf-8") as f:
     REQUIREMENTS = f.read().splitlines()
 
+with open("requirements-extras.txt", encoding="utf-8") as f:
+    EXTRAS = f.read().splitlines()
 
 version_path = os.path.abspath(
     os.path.join(os.path.join(os.path.dirname(__file__), "qiskit_experiments"), "VERSION.txt")
@@ -58,6 +60,7 @@
     keywords="qiskit sdk quantum",
     packages=find_packages(exclude=["test*"]),
     install_requires=REQUIREMENTS,
+    extras_require={"extras": EXTRAS},
     include_package_data=True,
     python_requires=">=3.8",
     project_urls={

diff --git a/tox.ini b/tox.ini
@@ -9,7 +9,9 @@ install_command = pip install -c{toxinidir}/constraints.txt -U {opts} {packages}
 setenv =
   VIRTUAL_ENV={envdir}
   QISKIT_SUPPRESS_PACKAGING_WARNINGS=Y
-deps = -r{toxinidir}/requirements-dev.txt
+deps =
+  -r{toxinidir}/requirements-dev.txt
+  -r{toxinidir}/requirements-extras.txt
 passenv =
   OMP_NUM_THREADS
   QISKIT_PARALLEL
@@ -36,6 +38,7 @@ setenv =
 deps =
   git+https://github.com/Qiskit/qiskit-terra
   -r{toxinidir}/requirements-dev.txt
+  -r{toxinidir}/requirements-extras.txt
 passenv =
   OMP_NUM_THREADS
   QISKIT_PARALLEL