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environment.yml
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environment.yml
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name: my_atomqc
channels:
- conda-forge
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- archspec=0.2.2=pyhd8ed1ab_0
- boltons=23.1.1=pyhd8ed1ab_0
- brotli-python=1.1.0=py310hc6cd4ac_1
- bzip2=1.0.8=hd590300_5
- c-ares=1.24.0=hd590300_0
- ca-certificates=2023.11.17=hbcca054_0
- certifi=2023.11.17=pyhd8ed1ab_0
- cffi=1.16.0=py310h2fee648_0
- charset-normalizer=3.3.2=pyhd8ed1ab_0
- colorama=0.4.6=pyhd8ed1ab_0
- conda=23.11.0=py310hff52083_1
- conda-libmamba-solver=23.12.0=pyhd8ed1ab_0
- conda-package-handling=2.2.0=pyh38be061_0
- conda-package-streaming=0.9.0=pyhd8ed1ab_0
- distro=1.8.0=pyhd8ed1ab_0
- fmt=10.1.1=h00ab1b0_1
- icu=73.2=h59595ed_0
- idna=3.6=pyhd8ed1ab_0
- jsonpatch=1.33=pyhd8ed1ab_0
- jsonpointer=2.4=py310hff52083_3
- keyutils=1.6.1=h166bdaf_0
- krb5=1.21.2=h659d440_0
- ld_impl_linux-64=2.40=h41732ed_0
- libarchive=3.7.2=h2aa1ff5_1
- libcurl=8.5.0=hca28451_0
- libedit=3.1.20191231=he28a2e2_2
- libev=4.33=hd590300_2
- libffi=3.4.2=h7f98852_5
- libgcc-ng=13.2.0=h807b86a_3
- libgomp=13.2.0=h807b86a_3
- libiconv=1.17=hd590300_2
- libmamba=1.5.5=had39da4_0
- libmambapy=1.5.5=py310h39ff949_0
- libnghttp2=1.58.0=h47da74e_1
- libnsl=2.0.1=hd590300_0
- libsolv=0.7.27=hfc55251_0
- libsqlite=3.44.2=h2797004_0
- libssh2=1.11.0=h0841786_0
- libstdcxx-ng=13.2.0=h7e041cc_3
- libuuid=2.38.1=h0b41bf4_0
- libxml2=2.12.3=h232c23b_0
- libzlib=1.2.13=hd590300_5
- lz4-c=1.9.4=hcb278e6_0
- lzo=2.10=h516909a_1000
- mamba=1.5.5=py310h51d5547_0
- menuinst=2.0.1=py310hff52083_0
- ncurses=6.4=h59595ed_2
- openssl=3.2.0=hd590300_1
- packaging=23.2=pyhd8ed1ab_0
- pandas=2.2.1=py310hcc13569_0
- pip=23.3.2=pyhd8ed1ab_0
- platformdirs=4.1.0=pyhd8ed1ab_0
- pluggy=1.3.0=pyhd8ed1ab_0
- pybind11-abi=4=hd8ed1ab_3
- pycosat=0.6.6=py310h2372a71_0
- pycparser=2.21=pyhd8ed1ab_0
- pysocks=1.7.1=pyha2e5f31_6
- python=3.10.13=hd12c33a_0_cpython
- python_abi=3.10=4_cp310
- readline=8.2=h8228510_1
- reproc=14.2.4.post0=hd590300_1
- reproc-cpp=14.2.4.post0=h59595ed_1
- requests=2.31.0=pyhd8ed1ab_0
- ruamel.yaml=0.18.5=py310h2372a71_0
- ruamel.yaml.clib=0.2.7=py310h2372a71_2
- setuptools=68.2.2=pyhd8ed1ab_0
- tk=8.6.13=noxft_h4845f30_101
- tqdm=4.66.1=pyhd8ed1ab_0
- truststore=0.8.0=pyhd8ed1ab_0
- tzdata=2023c=h71feb2d_0
- urllib3=2.1.0=pyhd8ed1ab_0
- wheel=0.42.0=pyhd8ed1ab_0
- xz=5.2.6=h166bdaf_0
- yaml-cpp=0.8.0=h59595ed_0
- zstandard=0.22.0=py310h1275a96_0
- zstd=1.5.5=hfc55251_0
- pip:
- babel==2.14.0
- click==8.1.7
- contourpy==1.2.0
- cryptography==42.0.5
- cycler==0.12.1
- dill==0.3.8
- fonttools==4.50.0
- ghp-import==2.1.0
- h5py==3.10.0
- jarvis-tools==2024.3.24
- jinja2==3.1.3
- joblib==1.3.2
- kiwisolver==1.4.5
- markdown==3.6
- markupsafe==2.1.5
- matplotlib==3.8.3
- mergedeep==1.3.4
- mkdocs==1.5.3
- mkdocs-material==9.5.15
- mkdocs-material-extensions==1.3.1
- mpmath==1.3.0
- ntlm-auth==1.5.0
- numpy==1.23.5
- paginate==0.5.6
- pathspec==0.12.1
- pbr==6.0.0
- pillow==10.2.0
- ply==3.11
- psutil==5.9.8
- pygments==2.17.2
- pymdown-extensions==10.7.1
- pyparsing==3.1.2
- pyscf==2.5.0
- python-dateutil==2.9.0.post0
- pyyaml==6.0.1
- pyyaml-env-tag==0.1
- qiskit==0.43.1
- qiskit-aer==0.12.0
- qiskit-ibmq-provider==0.20.2
- qiskit-nature==0.6.2
- qiskit-terra==0.24.1
- regex==2023.12.25
- requests-ntlm==1.1.0
- rustworkx==0.14.2
- scikit-learn==1.4.1.post1
- scipy==1.12.0
- six==1.16.0
- spglib==2.3.1
- stevedore==5.2.0
- symengine==0.9.2
- sympy==1.12
- threadpoolctl==3.4.0
- toolz==0.12.1
- typing-extensions==4.10.0
- watchdog==4.0.0
- websocket-client==1.7.0
- websockets==12.0
- xmltodict==0.13.0