diff --git a/.github/workflows/ci_backends.yml b/.github/workflows/ci_backends.yml index c9c5852c..9ae5d9ab 100644 --- a/.github/workflows/ci_backends.yml +++ b/.github/workflows/ci_backends.yml @@ -16,7 +16,7 @@ jobs: runs-on: ubuntu-latest strategy: matrix: - python-version: [3.7, 3.8] + python-version: ['3.9'] steps: - uses: actions/checkout@v2 diff --git a/.github/workflows/ci_basic.yml b/.github/workflows/ci_basic.yml index d57d144b..80551785 100644 --- a/.github/workflows/ci_basic.yml +++ b/.github/workflows/ci_basic.yml @@ -16,7 +16,7 @@ jobs: runs-on: ubuntu-latest strategy: matrix: - python-version: [3.7, 3.8] + python-version: ['3.9', '3.10'] steps: - uses: actions/checkout@v2 diff --git a/.github/workflows/ci_basic_autograd.yml b/.github/workflows/ci_basic_autograd.yml index bfcb7dfc..25799934 100644 --- a/.github/workflows/ci_basic_autograd.yml +++ b/.github/workflows/ci_basic_autograd.yml @@ -1,7 +1,7 @@ # This workflow will install Python dependencies, run tests and lint with a variety of Python versions # For more information see: https://help.github.com/actions/language-and-framework-guides/using-python-with-github-actions -name: Tequila-Test-Basic-Autograd +name: Tequila-Test-Basic-JAX on: push: @@ -16,7 +16,7 @@ jobs: runs-on: ubuntu-latest strategy: matrix: - python-version: [3.7, 3.8, 3.9] + python-version: ['3.9', '3.10'] steps: - uses: actions/checkout@v2 @@ -28,8 +28,8 @@ jobs: run: | python -m pip install --upgrade pip pip install -r requirements.txt - pip uninstall -y jax jaxlib - pip install autograd + pip uninstall autograd -y + pip install jax jaxlib - name: Lint with flake8 run: | pip install flake8 diff --git a/.github/workflows/ci_chemistry_madness.yml b/.github/workflows/ci_chemistry_madness.yml index 2dd7e736..7c903227 100644 --- a/.github/workflows/ci_chemistry_madness.yml +++ b/.github/workflows/ci_chemistry_madness.yml @@ -16,7 +16,7 @@ jobs: runs-on: ubuntu-latest strategy: matrix: - python-version: [3.7] + python-version: ['3.10'] steps: - uses: actions/checkout@v2 diff --git a/.github/workflows/ci_chemistry_pyscf.yml b/.github/workflows/ci_chemistry_pyscf.yml index 64d75b44..f68e6c64 100644 --- a/.github/workflows/ci_chemistry_pyscf.yml +++ b/.github/workflows/ci_chemistry_pyscf.yml @@ -16,7 +16,7 @@ jobs: runs-on: ubuntu-latest strategy: matrix: - python-version: [3.7] + python-version: [3.9] steps: - uses: actions/checkout@v2 diff --git a/.github/workflows/ci_conda_madness.yml b/.github/workflows/ci_conda_madness.yml index fc70be6d..ed042d4a 100644 --- a/.github/workflows/ci_conda_madness.yml +++ b/.github/workflows/ci_conda_madness.yml @@ -16,7 +16,7 @@ jobs: runs-on: ubuntu-latest strategy: matrix: - python-version: [3.7] + python-version: [3.9] steps: - uses: actions/checkout@v2 diff --git a/.github/workflows/ci_ml.yml b/.github/workflows/ci_ml.yml index aeb00d54..e649b377 100644 --- a/.github/workflows/ci_ml.yml +++ b/.github/workflows/ci_ml.yml @@ -16,7 +16,7 @@ jobs: runs-on: ubuntu-latest strategy: matrix: - python-version: [3.7, 3.8] + python-version: [3.9] steps: - uses: actions/checkout@v2 diff --git a/.github/workflows/ci_optimizers.yml b/.github/workflows/ci_optimizers.yml deleted file mode 100644 index 0d544f07..00000000 --- a/.github/workflows/ci_optimizers.yml +++ /dev/null @@ -1,40 +0,0 @@ -# This workflow will install Python dependencies, run tests and lint with a variety of Python versions -# For more information see: https://help.github.com/actions/language-and-framework-guides/using-python-with-github-actions - -name: Tequila-Test-Optimizers - -on: - push: - branches: [ master, devel ] - pull_request: - branches: [ master, devel ] - -jobs: - - build: - - runs-on: ubuntu-latest - strategy: - matrix: - python-version: [3.7, 3.8] - - steps: - - uses: actions/checkout@v2 - - name: Set up Python ${{ matrix.python-version }} - uses: actions/setup-python@v1 - with: - python-version: ${{ matrix.python-version }} - - name: Install quantum backends - run: | - pip install "cirq" "qiskit>=0.30" "qulacs" - pip uninstall pyquil -y - - - name: Install and test GPyOpt interface (no qibo) - run: | - python -m pip install --upgrade pip - pip install --upgrade -r requirements.txt - pip install --upgrade -r requirements_gpyopt.txt - pip install -e . - - pytest tests/test_gpyopt.py --slow - diff --git a/.github/workflows/ci_pyquil.yml b/.github/workflows/ci_pyquil.yml index 92e39757..926ec8dc 100644 --- a/.github/workflows/ci_pyquil.yml +++ b/.github/workflows/ci_pyquil.yml @@ -16,7 +16,7 @@ jobs: runs-on: ubuntu-latest strategy: matrix: - python-version: [3.7] + python-version: [3.9] steps: - uses: actions/checkout@v2 diff --git a/.github/workflows/pypi.yml b/.github/workflows/pypi.yml index 4f3f6f3e..09e44946 100644 --- a/.github/workflows/pypi.yml +++ b/.github/workflows/pypi.yml @@ -30,7 +30,7 @@ jobs: # remove qulacs from dependencies (issues with windows and mac) # users need to install themselves if they want it - cat requirements.txt | sed "s|qulacs|#qulacs|g" > tmp.txt + #cat requirements.txt | sed "s|qulacs|#qulacs|g" > tmp.txt rm requirements.txt mv tmp.txt requirements.txt python setup.py sdist bdist_wheel diff --git a/.github/workflows/release.yml b/.github/workflows/release.yml deleted file mode 100644 index 1c80674b..00000000 --- a/.github/workflows/release.yml +++ /dev/null @@ -1,22 +0,0 @@ -name: 'Tweet when released' -on: - release: - types: [released] - -jobs: - tweet: - runs-on: ubuntu-latest - steps: - - name: Tweet - id: tweet - uses: doomspec/auto-tweet-v2@v0.1.0 - env: - CONSUMER_API_KEY: ${{ secrets.TWITTER_CONSUMER_API_KEY }} - CONSUMER_API_SECRET_KEY: ${{ secrets.TWITTER_CONSUMER_API_SECRET_KEY }} - ACCESS_TOKEN: ${{ secrets.TWITTER_ACCESS_TOKEN }} - ACCESS_TOKEN_SECRET: ${{ secrets.TWITTER_ACCESS_TOKEN_SECRET }} - with: - text: | - New version released: ${{ github.event.release.name }} - ${{ github.event.release.html_url }} - - run: echo ${{ steps.tweet.outputs.response }} diff --git a/README.md b/README.md index b415c3f3..63c528f7 100644 --- a/README.md +++ b/README.md @@ -14,7 +14,7 @@ Tequila can execute the underlying quantum expectation values on state of the ar - [talks and slides](https://kottmanj.github.io/talks_and_material/) # Installation -Recommended Python version is 3.9 - 3.10. +Recommended Python version is 3.9 (3.10). Tequila supports linux, osx and windows. However, not all optional dependencies are supported on windows. ## Install from PyPi @@ -240,14 +240,18 @@ A.G. Cadavid, I. Montalban, A. Dalal, E. Solano, N.N. Hegade Efficient DCQO Algorithm within the Impulse Regime for Portfolio Optimization [arxiv:2308.15475](https://arxiv.org/abs/2308.15475) +A. Anand, K. Brown +Hamiltonians, groups, graphs and ansätze +[arxiv:2312.17146](https://arxiv.org/abs/2312.17146) + +P.W.K. Jensen, E.R. Kjellgren, P. Reinholdt, K.M. Ziems, S. Coriani, J. Kongsted, S. Sauer +Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing +[arxiv:2312.12386](https://arxiv.org/abs/2312.12386) + Let us know, if you want your research project and/or tutorial to be included in this list! # Dependencies -Support for additional optimizers or quantum backends can be activated by intalling them in your environment. -Tequila will then detect them automatically. -Currently those are: [Phoenics](https://github.com/aspuru-guzik-group/phoenics) - and [GPyOpt](https://sheffieldml.github.io/GPyOpt/). -Quantum backends are treated in the same way. +Support for specific backends (quantum simulators, optimizers, quantum chemistry) can be activated by intalling them in your environment. ## Quantum Backends Currently supported @@ -381,5 +385,3 @@ Tequila runs on Mac OSX. You might get in trouble with installing qulacs since it currently does not work with Apple's clang compiler. You need to install latest GNU compile (at least gcc-7 and g++7) and set them as default before installing qulacs over pip. -## Qibo and GPyOpt -Currently you can't use Qibo and GPyOpt within the same environment. diff --git a/requirements_gpyopt.txt b/requirements_gpyopt.txt deleted file mode 100644 index ac7fc7b0..00000000 --- a/requirements_gpyopt.txt +++ /dev/null @@ -1,17 +0,0 @@ -### requirements for gpyopt optimizer -cycler>=0.10.0 -decorator>=4.0.10 -numpy>=1.11.2 -six>=1.10.0 -python-dateutil>=2.6.0 -paramz>=0.7.0 -GPy>=1.8 -matplotlib>=1.5.3 -pyparsing>=2.1.10 -pytz>=2016.7 -scipy>=0.18.1 -mock>=2.0.0 -PyDOE >= 0.3.0 -sobol_seq >=0.1 -emcee>=2.2.1 -gpyopt diff --git a/src/tequila/version.py b/src/tequila/version.py index cb9458d9..09ed92e6 100644 --- a/src/tequila/version.py +++ b/src/tequila/version.py @@ -1,2 +1,2 @@ -__version__ = "1.9.6-dev" +__version__ = "1.9.5" __author__ = "Tequila Developers "