From 345b6907462b83b88a6e1a0aaf1212f3f097c08c Mon Sep 17 00:00:00 2001
From: = <tanle4930@gmail.com>
Date: Wed, 18 Oct 2023 08:50:48 +0800
Subject: [PATCH 1/2] dependency updates

---
 poetry.lock    | 1802 +++++++++++++++++++++++-------------------------
 pyproject.toml |    3 +-
 2 files changed, 867 insertions(+), 938 deletions(-)

diff --git a/poetry.lock b/poetry.lock
index 2301976..a9be0d8 100644
--- a/poetry.lock
+++ b/poetry.lock
@@ -24,22 +24,17 @@ files = [
 
 [[package]]
 name = "astroid"
-version = "2.15.6"
+version = "3.0.1"
 description = "An abstract syntax tree for Python with inference support."
 optional = false
-python-versions = ">=3.7.2"
+python-versions = ">=3.8.0"
 files = [
-    {file = "astroid-2.15.6-py3-none-any.whl", hash = "sha256:389656ca57b6108f939cf5d2f9a2a825a3be50ba9d589670f393236e0a03b91c"},
-    {file = "astroid-2.15.6.tar.gz", hash = "sha256:903f024859b7c7687d7a7f3a3f73b17301f8e42dfd9cc9df9d4418172d3e2dbd"},
+    {file = "astroid-3.0.1-py3-none-any.whl", hash = "sha256:7d5895c9825e18079c5aeac0572bc2e4c83205c95d416e0b4fee8bc361d2d9ca"},
+    {file = "astroid-3.0.1.tar.gz", hash = "sha256:86b0bb7d7da0be1a7c4aedb7974e391b32d4ed89e33de6ed6902b4b15c97577e"},
 ]
 
 [package.dependencies]
-lazy-object-proxy = ">=1.4.0"
 typing-extensions = {version = ">=4.0.0", markers = "python_version < \"3.11\""}
-wrapt = [
-    {version = ">=1.11,<2", markers = "python_version < \"3.11\""},
-    {version = ">=1.14,<2", markers = "python_version >= \"3.11\""},
-]
 
 [[package]]
 name = "asttokens"
@@ -78,15 +73,18 @@ tests-no-zope = ["cloudpickle", "hypothesis", "mypy (>=1.1.1)", "pympler", "pyte
 
 [[package]]
 name = "babel"
-version = "2.12.1"
+version = "2.13.0"
 description = "Internationalization utilities"
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "Babel-2.12.1-py3-none-any.whl", hash = "sha256:b4246fb7677d3b98f501a39d43396d3cafdc8eadb045f4a31be01863f655c610"},
-    {file = "Babel-2.12.1.tar.gz", hash = "sha256:cc2d99999cd01d44420ae725a21c9e3711b3aadc7976d6147f622d8581963455"},
+    {file = "Babel-2.13.0-py3-none-any.whl", hash = "sha256:fbfcae1575ff78e26c7449136f1abbefc3c13ce542eeb13d43d50d8b047216ec"},
+    {file = "Babel-2.13.0.tar.gz", hash = "sha256:04c3e2d28d2b7681644508f836be388ae49e0cfe91465095340395b60d00f210"},
 ]
 
+[package.extras]
+dev = ["freezegun (>=1.0,<2.0)", "pytest (>=6.0)", "pytest-cov"]
+
 [[package]]
 name = "backcall"
 version = "0.2.0"
@@ -118,13 +116,13 @@ lxml = ["lxml"]
 
 [[package]]
 name = "bleach"
-version = "6.0.0"
+version = "6.1.0"
 description = "An easy safelist-based HTML-sanitizing tool."
 optional = false
-python-versions = ">=3.7"
+python-versions = ">=3.8"
 files = [
-    {file = "bleach-6.0.0-py3-none-any.whl", hash = "sha256:33c16e3353dbd13028ab4799a0f89a83f113405c766e9c122df8a06f5b85b3f4"},
-    {file = "bleach-6.0.0.tar.gz", hash = "sha256:1a1a85c1595e07d8db14c5f09f09e6433502c51c595970edc090551f0db99414"},
+    {file = "bleach-6.1.0-py3-none-any.whl", hash = "sha256:3225f354cfc436b9789c66c4ee030194bee0568fbf9cbdad3bc8b5c26c5f12b6"},
+    {file = "bleach-6.1.0.tar.gz", hash = "sha256:0a31f1837963c41d46bbf1331b8778e1308ea0791db03cc4e7357b97cf42a8fe"},
 ]
 
 [package.dependencies]
@@ -132,7 +130,7 @@ six = ">=1.9.0"
 webencodings = "*"
 
 [package.extras]
-css = ["tinycss2 (>=1.1.0,<1.2)"]
+css = ["tinycss2 (>=1.1.0,<1.3)"]
 
 [[package]]
 name = "cachetools"
@@ -158,75 +156,63 @@ files = [
 
 [[package]]
 name = "cffi"
-version = "1.15.1"
+version = "1.16.0"
 description = "Foreign Function Interface for Python calling C code."
 optional = false
-python-versions = "*"
+python-versions = ">=3.8"
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 [package.dependencies]
@@ -234,86 +220,101 @@ pycparser = "*"
 
 [[package]]
 name = "charset-normalizer"
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 description = "The Real First Universal Charset Detector. Open, modern and actively maintained alternative to Chardet."
 optional = false
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 [package.dependencies]
@@ -527,15 +541,19 @@ toml = ["tomli"]
 
 [[package]]
 name = "cycler"
-version = "0.11.0"
+version = "0.12.1"
 description = "Composable style cycles"
 optional = false
-python-versions = ">=3.6"
+python-versions = ">=3.8"
 files = [
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 ]
 
+[package.extras]
+docs = ["ipython", "matplotlib", "numpydoc", "sphinx"]
+tests = ["pytest", "pytest-cov", "pytest-xdist"]
+
 [[package]]
 name = "decorator"
 version = "5.1.1"
@@ -627,27 +645,27 @@ test = ["pytest (>=6)"]
 
 [[package]]
 name = "executing"
-version = "1.2.0"
+version = "2.0.0"
 description = "Get the currently executing AST node of a frame, and other information"
 optional = false
 python-versions = "*"
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 ]
 
 [package.extras]
-tests = ["asttokens", "littleutils", "pytest", "rich"]
+tests = ["asttokens (>=2.1.0)", "coverage", "coverage-enable-subprocess", "ipython", "littleutils", "pytest", "rich"]
 
 [[package]]
 name = "fastjsonschema"
-version = "2.18.0"
+version = "2.18.1"
 description = "Fastest Python implementation of JSON schema"
 optional = false
 python-versions = "*"
 files = [
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 ]
 
 [package.extras]
@@ -655,45 +673,53 @@ devel = ["colorama", "json-spec", "jsonschema", "pylint", "pytest", "pytest-benc
 
 [[package]]
 name = "fonttools"
-version = "4.42.1"
+version = "4.43.1"
 description = "Tools to manipulate font files"
 optional = false
 python-versions = ">=3.8"
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@@ -712,13 +738,13 @@ woff = ["brotli (>=1.0.1)", "brotlicffi (>=0.8.0)", "zopfli (>=0.1.4)"]
 
 [[package]]
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-version = "2023.8.19"
+version = "2023.9.10"
 description = "A clean customisable Sphinx documentation theme."
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 python-versions = ">=3.8"
 files = [
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 [package.dependencies]
@@ -729,13 +755,13 @@ sphinx-basic-ng = "*"
 
 [[package]]
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+version = "2.12.0"
 description = "Google API client core library"
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 [package.dependencies]
@@ -759,37 +785,36 @@ grpcio-gcp = ["grpcio-gcp (>=0.2.2,<1.0.dev0)"]
 
 [[package]]
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-rsa = {version = ">=3.1.4,<5", markers = "python_version >= \"3.6\""}
-six = ">=1.9.0"
+rsa = ">=3.1.4,<5"
 
 [package.extras]
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+requests = ["requests (>=2.20.0,<3.0.0.dev0)"]
 
 [[package]]
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+version = "1.61.0"
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 [package.dependencies]
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 [[package]]
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 [package.dependencies]
@@ -947,21 +985,21 @@ testing = ["flufl.flake8", "importlib-resources (>=1.3)", "packaging", "pyfakefs
 
 [[package]]
 name = "importlib-resources"
-version = "6.0.1"
+version = "6.1.0"
 description = "Read resources from Python packages"
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 python-versions = ">=3.8"
 files = [
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 [[package]]
 name = "iniconfig"
@@ -976,13 +1014,13 @@ files = [
 
 [[package]]
 name = "ipython"
-version = "8.15.0"
+version = "8.16.1"
 description = "IPython: Productive Interactive Computing"
 optional = false
 python-versions = ">=3.9"
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 [package.dependencies]
@@ -1033,13 +1071,13 @@ requirements-deprecated-finder = ["pip-api", "pipreqs"]
 
 [[package]]
 name = "jedi"
-version = "0.19.0"
+version = "0.19.1"
 description = "An autocompletion tool for Python that can be used for text editors."
 optional = false
 python-versions = ">=3.6"
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 ]
 
 [package.dependencies]
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 [package.extras]
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-testing = ["Django (<3.1)", "attrs", "colorama", "docopt", "pytest (<7.0.0)"]
+testing = ["Django", "attrs", "colorama", "docopt", "pytest (<7.0.0)"]
 
 [[package]]
 name = "jinja2"
@@ -1080,13 +1118,13 @@ files = [
 
 [[package]]
 name = "jsonschema"
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+version = "4.19.1"
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 python-versions = ">=3.8"
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 [package.dependencies]
@@ -1115,13 +1153,13 @@ referencing = ">=0.28.0"
 
 [[package]]
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 python-versions = ">=3.8"
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@@ -1138,13 +1176,13 @@ test = ["coverage", "ipykernel (>=6.14)", "mypy", "paramiko", "pre-commit", "pyt
 
 [[package]]
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 [package.dependencies]
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 importlib-resources = {version = ">=3.2.0", markers = "python_version < \"3.10\""}
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 pillow = ">=6.2.0"
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+pyparsing = ">=2.3.1"
 python-dateutil = ">=2.7"
+setuptools_scm = ">=7"
 
 [[package]]
 name = "matplotlib-inline"
@@ -1505,13 +1486,13 @@ files = [
 
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-version = "3.0.1"
+version = "3.0.2"
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 python-versions = ">=3.7"
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 [[package]]
@@ -1555,13 +1536,13 @@ test = ["flaky", "ipykernel (>=6.19.3)", "ipython", "ipywidgets", "nbconvert (>=
 
 [[package]]
 name = "nbconvert"
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 [package.dependencies]
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 serve = ["tornado (>=6.1)"]
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+test = ["flaky", "ipykernel", "ipywidgets (>=7)", "pytest", "pytest-dependency"]
 webpdf = ["playwright"]
 
 [[package]]
@@ -1651,36 +1632,43 @@ test = ["codecov (>=2.1)", "pytest (>=7.2)", "pytest-cov (>=4.0)"]
 
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 [[package]]
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 colorama = {version = ">=0.4.5", markers = "sys_platform == \"win32\""}
 dill = [
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@@ -2160,13 +2154,13 @@ testutils = ["gitpython (>3)"]
 
 [[package]]
 name = "pyparsing"
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 python-versions = ">=3.6.8"
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 ]
 
 [package.extras]
@@ -2174,33 +2168,21 @@ diagrams = ["jinja2", "railroad-diagrams"]
 
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 scipy = "<1.5.0 || >1.5.0,<1.5.1 || >1.5.1"
+setuptools = "*"
 
 [package.extras]
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@@ -2221,13 +2203,13 @@ tblis = ["pyscf-tblis"]
 
 [[package]]
 name = "pytest"
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+version = "7.4.2"
 description = "pytest: simple powerful testing with Python"
 optional = false
 python-versions = ">=3.7"
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 [[package]]
 name = "qibo"
-version = "0.1.16"
+version = "0.2.1"
 description = "A framework for quantum computing with hardware acceleration."
 optional = false
 python-versions = ">=3.8,<3.12"
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 [package.dependencies]
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 [package.dependencies]
@@ -2722,6 +2696,44 @@ dev = ["click", "cython-lint (>=0.12.2)", "doit (>=0.36.0)", "mypy", "pycodestyl
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+[[package]]
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+
+[[package]]
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+description = "the blessed package to manage your versions by scm tags"
+optional = false
+python-versions = ">=3.8"
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+setuptools = "*"
+tomli = {version = ">=1", markers = "python_version < \"3.11\""}
+typing-extensions = "*"
+
+[package.extras]
+docs = ["entangled-cli[rich]", "mkdocs", "mkdocs-entangled-plugin", "mkdocs-material", "mkdocstrings[python]", "pygments"]
+rich = ["rich"]
+test = ["build", "pytest", "rich", "wheel"]
+
 [[package]]
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 version = "1.16.0"
@@ -2938,13 +2950,13 @@ test = ["flake8", "mypy", "pytest"]
 
 [[package]]
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-version = "0.9.7"
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 [package.dependencies]
@@ -2988,13 +3000,13 @@ test = ["pytest"]
 
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 [package.dependencies]
@@ -3115,28 +3127,28 @@ telegram = ["requests"]
 
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 description = "Traitlets Python configuration system"
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 name = "typing-extensions"
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-description = "Backported and Experimental Type Hints for Python 3.7+"
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+description = "Backported and Experimental Type Hints for Python 3.8+"
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+python-versions = ">=3.8"
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 [[package]]
@@ -3152,13 +3164,13 @@ files = [
 
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 description = "HTTP library with thread-safe connection pooling, file post, and more."
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 [package.extras]
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 [[package]]
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+version = "0.2.8"
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 [[package]]
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-    {file = "wrapt-1.15.0-cp38-cp38-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl", hash = "sha256:d6bcbfc99f55655c3d93feb7ef3800bd5bbe963a755687cbf1f490a71fb7794b"},
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-    {file = "wrapt-1.15.0-cp39-cp39-musllinux_1_1_i686.whl", hash = "sha256:2cf56d0e237280baed46f0b5316661da892565ff58309d4d2ed7dba763d984b8"},
-    {file = "wrapt-1.15.0-cp39-cp39-musllinux_1_1_x86_64.whl", hash = "sha256:7dc0713bf81287a00516ef43137273b23ee414fe41a3c14be10dd95ed98a2df9"},
-    {file = "wrapt-1.15.0-cp39-cp39-win32.whl", hash = "sha256:46ed616d5fb42f98630ed70c3529541408166c22cdfd4540b88d5f21006b0eff"},
-    {file = "wrapt-1.15.0-cp39-cp39-win_amd64.whl", hash = "sha256:eef4d64c650f33347c1f9266fa5ae001440b232ad9b98f1f43dfe7a79435c0a6"},
-    {file = "wrapt-1.15.0-py3-none-any.whl", hash = "sha256:64b1df0f83706b4ef4cfb4fb0e4c2669100fd7ecacfb59e091fad300d4e04640"},
-    {file = "wrapt-1.15.0.tar.gz", hash = "sha256:d06730c6aed78cee4126234cf2d071e01b44b915e725a6cb439a879ec9754a3a"},
-]
-
 [[package]]
 name = "zipp"
-version = "3.16.2"
+version = "3.17.0"
 description = "Backport of pathlib-compatible object wrapper for zip files"
 optional = false
 python-versions = ">=3.8"
 files = [
-    {file = "zipp-3.16.2-py3-none-any.whl", hash = "sha256:679e51dd4403591b2d6838a48de3d283f3d188412a9782faadf845f298736ba0"},
-    {file = "zipp-3.16.2.tar.gz", hash = "sha256:ebc15946aa78bd63458992fc81ec3b6f7b1e92d51c35e6de1c3804e73b799147"},
+    {file = "zipp-3.17.0-py3-none-any.whl", hash = "sha256:0e923e726174922dce09c53c59ad483ff7bbb8e572e00c7f7c46b88556409f31"},
+    {file = "zipp-3.17.0.tar.gz", hash = "sha256:84e64a1c28cf7e91ed2078bb8cc8c259cb19b76942096c8d7b84947690cabaf0"},
 ]
 
 [package.extras]
-docs = ["furo", "jaraco.packaging (>=9.3)", "jaraco.tidelift (>=1.4)", "rst.linker (>=1.9)", "sphinx (>=3.5)", "sphinx-lint"]
+docs = ["furo", "jaraco.packaging (>=9.3)", "jaraco.tidelift (>=1.4)", "rst.linker (>=1.9)", "sphinx (<7.2.5)", "sphinx (>=3.5)", "sphinx-lint"]
 testing = ["big-O", "jaraco.functools", "jaraco.itertools", "more-itertools", "pytest (>=6)", "pytest-black (>=0.3.7)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=2.2)", "pytest-ignore-flaky", "pytest-mypy (>=0.9.1)", "pytest-ruff"]
 
 [metadata]
 lock-version = "2.0"
 python-versions = ">3.9,<3.12"
-content-hash = "758c5594c719ed677f5e1a0b42fec989bd9c717a9f00368d790ef1f44a964031"
+content-hash = "0f0402930870f7ab81b3e6dbebc909d37e3f978a7f14fca5314a170afa152269"
diff --git a/pyproject.toml b/pyproject.toml
index 66cb1e0..c95a0e5 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -16,10 +16,11 @@ packages = [{ include = "qibochem", from = "src" }]
 
 [tool.poetry.dependencies]
 python = ">3.9,<3.12"
-qibo = "^0.1.10"
+qibo = ">=0.1.10"
 openfermion = "^1.5"
 pyscf = "^2.3.0"
 scipy = "^1.10.1"
+furo = "^2023.09.10"
 
 [build-system]
 requires = ["poetry-core"]

From 08739bc34217f101e1529c4f2b2563ce0808e87a Mon Sep 17 00:00:00 2001
From: = <tanle4930@gmail.com>
Date: Wed, 18 Oct 2023 09:11:16 +0800
Subject: [PATCH 2/2] Downgrading pyscf, pyscf 2.4.0 does not support macos

---
 poetry.lock    | 30 +++++++++++++++++++++---------
 pyproject.toml |  2 +-
 2 files changed, 22 insertions(+), 10 deletions(-)

diff --git a/poetry.lock b/poetry.lock
index a9be0d8..f729f1b 100644
--- a/poetry.lock
+++ b/poetry.lock
@@ -2168,21 +2168,33 @@ diagrams = ["jinja2", "railroad-diagrams"]
 
 [[package]]
 name = "pyscf"
-version = "2.4.0"
+version = "2.3.0"
 description = "PySCF: Python-based Simulations of Chemistry Framework"
 optional = false
 python-versions = "*"
 files = [
-    {file = "pyscf-2.4.0-py3-none-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:8c9de88f339e18a0c6292633556c0822ef0ca29692a5642b8bc0bae2c8465939"},
-    {file = "pyscf-2.4.0-py3-none-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:be8a4240fde06e6ed3a8092969fa71a55c3ad4895b30eb65663d0388af4ce441"},
-    {file = "pyscf-2.4.0.tar.gz", hash = "sha256:af0597c481851b5448e7055c3160aef28dc12a1e0b35dda8279555c0780c0d45"},
+    {file = "pyscf-2.3.0-cp310-cp310-macosx_11_0_x86_64.whl", hash = "sha256:01c89d2188468671f056cc08af63e41b3d88f2db9b9dfcb23800f2311c487fc2"},
+    {file = "pyscf-2.3.0-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:7983ba4011bf38ae117dbb32ad8cd3a1737f43ee27b925efdc5d2366e7ef10d0"},
+    {file = "pyscf-2.3.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:85f41ecab75b65daad78a9e0b08c25a9b9f1810f1958a6ffe3c37c75f6d70b3f"},
+    {file = "pyscf-2.3.0-cp311-cp311-macosx_10_9_universal2.whl", hash = "sha256:161e62dbd82963341d5639d2549fc5cde4eaa6d3e134e4717ffb16bbab1423ac"},
+    {file = "pyscf-2.3.0-cp311-cp311-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:910c558999b43ac54677459afe65ae5f2ea1e09d2f694565a759b23ae6757667"},
+    {file = "pyscf-2.3.0-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:302c85a942d084303f69b1e1400a30c72a3beba22aed4293bc4494d2f950250f"},
+    {file = "pyscf-2.3.0-cp37-cp37m-macosx_11_0_x86_64.whl", hash = "sha256:a42a1cdef94eafd479b914e8dfc7aa714330f181be61f812b68d81731ce78ba6"},
+    {file = "pyscf-2.3.0-cp37-cp37m-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:53b3d5343f36ff5366f1e40a3a222976eda2f51bc0d0c33a2ecaafde40a3acb7"},
+    {file = "pyscf-2.3.0-cp37-cp37m-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:b032099e74d3a8a16146f1e2a85d9f959b123ff07187da9e16c2772895289cce"},
+    {file = "pyscf-2.3.0-cp38-cp38-macosx_11_0_x86_64.whl", hash = "sha256:1bf5c709392df24e9ffc80c16b8a7bf9f2d5d68d80121d2851850339fc486611"},
+    {file = "pyscf-2.3.0-cp38-cp38-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:d94cceab9eb19bc31cd5ca9796e2cfb42547d6ad9b73c5c6f1dba521e438b9b3"},
+    {file = "pyscf-2.3.0-cp38-cp38-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:c8d838004bda8cf627aebb80aee0d9d6a0001645565bc3e7be178c248d268b7f"},
+    {file = "pyscf-2.3.0-cp39-cp39-macosx_11_0_x86_64.whl", hash = "sha256:6965d8f639f68cde54a05b2e979ee5c0b4c1cb7759ceb40fdd7f5ce8e9ad6a0f"},
+    {file = "pyscf-2.3.0-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:b5b80891631904bd27b0aeff2d4548bdf90300e4b23dbf49dc8cf7eddbdb4eb8"},
+    {file = "pyscf-2.3.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:d69594345351d859d37cb32f796143c9a6060762d1f0bc987f25215c2225c7e7"},
+    {file = "pyscf-2.3.0.tar.gz", hash = "sha256:71781de62c25924fd4e93ffeb0451ec0d0b3646fe426c75023f4f519f0f35d85"},
 ]
 
 [package.dependencies]
 h5py = ">=2.7"
 numpy = ">=1.13,<1.16 || >1.16,<1.17 || >1.17"
 scipy = "<1.5.0 || >1.5.0,<1.5.1 || >1.5.1"
-setuptools = "*"
 
 [package.extras]
 all = ["basis-set-exchange", "cppe", "geometric (>=0.9.7.2)", "mcfun (>=0.2.1)", "pyberny (>=0.6.2)", "pyqmc", "pyscf-doci", "pyscf-icmpspt", "pyscf-properties", "pyscf-qsdopt", "pyscf-semiempirical", "pyscf-shciscf"]
@@ -3164,13 +3176,13 @@ files = [
 
 [[package]]
 name = "urllib3"
-version = "2.0.6"
+version = "2.0.7"
 description = "HTTP library with thread-safe connection pooling, file post, and more."
 optional = false
 python-versions = ">=3.7"
 files = [
-    {file = "urllib3-2.0.6-py3-none-any.whl", hash = "sha256:7a7c7003b000adf9e7ca2a377c9688bbc54ed41b985789ed576570342a375cd2"},
-    {file = "urllib3-2.0.6.tar.gz", hash = "sha256:b19e1a85d206b56d7df1d5e683df4a7725252a964e3993648dd0fb5a1c157564"},
+    {file = "urllib3-2.0.7-py3-none-any.whl", hash = "sha256:fdb6d215c776278489906c2f8916e6e7d4f5a9b602ccbcfdf7f016fc8da0596e"},
+    {file = "urllib3-2.0.7.tar.gz", hash = "sha256:c97dfde1f7bd43a71c8d2a58e369e9b2bf692d1334ea9f9cae55add7d0dd0f84"},
 ]
 
 [package.extras]
@@ -3219,4 +3231,4 @@ testing = ["big-O", "jaraco.functools", "jaraco.itertools", "more-itertools", "p
 [metadata]
 lock-version = "2.0"
 python-versions = ">3.9,<3.12"
-content-hash = "0f0402930870f7ab81b3e6dbebc909d37e3f978a7f14fca5314a170afa152269"
+content-hash = "daaec47b6fd43839f958f5021892900649c5eccc34157dc71d4a07c8a0d1ac83"
diff --git a/pyproject.toml b/pyproject.toml
index c95a0e5..7b40d51 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -18,7 +18,7 @@ packages = [{ include = "qibochem", from = "src" }]
 python = ">3.9,<3.12"
 qibo = ">=0.1.10"
 openfermion = "^1.5"
-pyscf = "^2.3.0"
+pyscf = "2.3.0"
 scipy = "^1.10.1"
 furo = "^2023.09.10"