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gph82 / mdciao

mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data
http://proteinformatics.org/mdciao
GNU Lesser General Public License v3.0
30 stars 4 forks source link

XlsxWriter error #45

Open anicoli opened 1 year ago

anicoli commented 1 year ago

Dear @gph82

I have installed mdciao in a new conda enviroments. I have tried to compute the interface between two proteins. However, I encountered the following error:

AttributeError: 'XlsxWriter' object has no attribute 'save'

I also attempted to install different versions of XlsxWriter to resolve the issue, but unfortunately, the error persists.

conda enviroment informations:

name: for_mdciao
channels:
  - anaconda
  - conda-forge
  - acellera
  - psi4
  - defaults
dependencies:
  - _libgcc_mutex=0.1=conda_forge
  - _openmp_mutex=4.5=2_gnu
  - alsa-lib=1.2.8=h166bdaf_0
  - anyio=3.5.0=py310h06a4308_0
  - argon2-cffi=21.3.0=pyhd3eb1b0_0
  - argon2-cffi-bindings=21.2.0=py310h7f8727e_0
  - attr=2.5.1=h166bdaf_1
  - attrs=22.1.0=py310h06a4308_0
  - babel=2.11.0=py310h06a4308_0
  - beautifulsoup4=4.11.1=py310h06a4308_0
  - bleach=4.1.0=pyhd3eb1b0_0
  - brotlipy=0.7.0=py310h7f8727e_1002
  - bzip2=1.0.8=h7f98852_4
  - ca-certificates=2023.01.10=h06a4308_0
  - cairo=1.16.0=h35add3b_1015
  - cffi=1.15.1=py310h5eee18b_3
  - comm=0.1.2=py310h06a4308_0
  - cryptography=38.0.4=py310h9ce1e76_0
  - cython=0.29.34=py310heca2aa9_0
  - dbus=1.13.18=hb2f20db_0
  - debugpy=1.5.1=py310h295c915_0
  - defusedxml=0.7.1=pyhd3eb1b0_0
  - entrypoints=0.4=py310h06a4308_0
  - expat=2.5.0=hcb278e6_1
  - flit-core=3.6.0=pyhd3eb1b0_0
  - font-ttf-dejavu-sans-mono=2.37=hd3eb1b0_0
  - font-ttf-inconsolata=2.001=hcb22688_0
  - font-ttf-source-code-pro=2.030=hd3eb1b0_0
  - font-ttf-ubuntu=0.83=h8b1ccd4_0
  - fontconfig=2.14.2=h14ed4e7_0
  - fonts-anaconda=1=h8fa9717_0
  - fonts-conda-ecosystem=1=hd3eb1b0_0
  - freetype=2.12.1=h4a9f257_0
  - gettext=0.21.1=h27087fc_0
  - glib=2.76.2=hfc55251_0
  - glib-tools=2.76.2=hfc55251_0
  - graphite2=1.3.14=h295c915_1
  - gst-plugins-base=1.22.0=h4243ec0_2
  - gstreamer=1.22.0=h25f0c4b_2
  - harfbuzz=6.0.0=h3ff4399_1
  - icu=72.1=hcb278e6_0
  - ipykernel=6.19.2=py310h2f386ee_0
  - ipython_genutils=0.2.0=pyhd3eb1b0_1
  - ipywidgets=7.6.5=pyhd3eb1b0_1
  - jinja2=3.1.2=py310h06a4308_0
  - json5=0.9.6=pyhd3eb1b0_0
  - jsonschema=4.16.0=py310h06a4308_0
  - jupyter=1.0.0=py310h06a4308_8
  - jupyter_client=7.4.8=py310h06a4308_0
  - jupyter_console=6.4.4=py310h06a4308_0
  - jupyter_core=5.1.1=py310h06a4308_0
  - jupyter_server=1.23.4=py310h06a4308_0
  - jupyterlab=3.5.3=py310h06a4308_0
  - jupyterlab_pygments=0.1.2=py_0
  - jupyterlab_server=2.16.5=py310h06a4308_0
  - jupyterlab_widgets=1.0.0=pyhd3eb1b0_1
  - keyutils=1.6.1=h166bdaf_0
  - krb5=1.20.1=h81ceb04_0
  - lame=3.100=h7b6447c_0
  - ld_impl_linux-64=2.40=h41732ed_0
  - libblas=3.9.0=16_linux64_openblas
  - libcap=2.67=he9d0100_0
  - libcblas=3.9.0=16_linux64_openblas
  - libclang=16.0.3=default_h83cc7fd_0
  - libclang13=16.0.3=default_hd781213_0
  - libcups=2.3.3=h36d4200_3
  - libedit=3.1.20221030=h5eee18b_0
  - libevent=2.1.10=h28343ad_4
  - libexpat=2.5.0=hcb278e6_1
  - libffi=3.4.2=h7f98852_5
  - libflac=1.4.2=h27087fc_0
  - libgcc-ng=12.2.0=h65d4601_19
  - libgcrypt=1.10.1=h166bdaf_0
  - libgfortran-ng=12.2.0=h69a702a_19
  - libgfortran5=12.2.0=h337968e_19
  - libglib=2.76.2=hebfc3b9_0
  - libgomp=12.2.0=h65d4601_19
  - libgpg-error=1.46=h620e276_0
  - libiconv=1.17=h166bdaf_0
  - libjpeg-turbo=2.1.5.1=h0b41bf4_0
  - liblapack=3.9.0=16_linux64_openblas
  - libllvm16=16.0.3=hbf9e925_1
  - libnsl=2.0.0=h7f98852_0
  - libogg=1.3.5=h27cfd23_1
  - libopenblas=0.3.21=pthreads_h78a6416_3
  - libopus=1.3.1=h7b6447c_0
  - libpng=1.6.39=h753d276_0
  - libpq=15.2=hb675445_0
  - libsndfile=1.2.0=hb75c966_0
  - libsodium=1.0.18=h7b6447c_0
  - libsqlite=3.41.2=h2797004_1
  - libstdcxx-ng=12.2.0=h46fd767_19
  - libsystemd0=253=h8c4010b_1
  - libuuid=2.38.1=h0b41bf4_0
  - libvorbis=1.3.7=h7b6447c_0
  - libxcb=1.13=h7f98852_1004
  - libxkbcommon=1.5.0=h79f4944_1
  - libxml2=2.10.4=hfdac1af_0
  - libzlib=1.2.13=h166bdaf_4
  - lz4-c=1.9.4=h6a678d5_0
  - markupsafe=2.1.1=py310h7f8727e_0
  - mistune=0.8.4=py310h7f8727e_1000
  - mpg123=1.31.3=hcb278e6_0
  - mysql-common=8.0.32=hf1915f5_2
  - mysql-libs=8.0.32=hca2cd23_2
  - nbclassic=0.4.8=py310h06a4308_0
  - nbclient=0.5.13=py310h06a4308_0
  - nbconvert=6.4.4=py310h06a4308_0
  - nbformat=5.7.0=py310h06a4308_0
  - ncurses=6.3=h27087fc_1
  - nest-asyncio=1.5.6=py310h06a4308_0
  - notebook=6.5.2=py310h06a4308_0
  - notebook-shim=0.2.2=py310h06a4308_0
  - nspr=4.35=h27087fc_0
  - nss=3.89=he45b914_0
  - openssl=3.1.0=hd590300_3
  - pandocfilters=1.5.0=pyhd3eb1b0_0
  - pcre2=10.40=hc3806b6_0
  - pip=23.1.2=pyhd8ed1ab_0
  - pixman=0.40.0=h7f8727e_1
  - platformdirs=2.5.2=py310h06a4308_0
  - ply=3.11=py310h06a4308_0
  - prometheus_client=0.14.1=py310h06a4308_0
  - prompt_toolkit=3.0.20=hd3eb1b0_0
  - psutil=5.9.0=py310h5eee18b_0
  - pthread-stubs=0.3=h0ce48e5_1
  - pulseaudio-client=16.1=h5195f5e_3
  - pure_eval=0.2.2=pyhd3eb1b0_0
  - pycparser=2.21=pyhd3eb1b0_0
  - pyopenssl=22.0.0=pyhd3eb1b0_0
  - pyqt=5.15.7=py310h29803b5_0
  - pyqt5-sip=12.11.0=py310hd8f1fbe_0
  - pyrsistent=0.18.0=py310h7f8727e_0
  - pysocks=1.7.1=py310h06a4308_0
  - python=3.10.10=he550d4f_0_cpython
  - python-fastjsonschema=2.16.2=py310h06a4308_0
  - python_abi=3.10=3_cp310
  - pyzmq=23.2.0=py310h6a678d5_0
  - qt-main=5.15.8=h5c52f38_10
  - qtconsole=5.4.0=py310h06a4308_0
  - qtpy=2.2.0=py310h06a4308_0
  - readline=8.2=h8228510_1
  - send2trash=1.8.0=pyhd3eb1b0_1
  - setuptools=67.7.2=pyhd8ed1ab_0
  - sip=6.6.2=py310h6a678d5_0
  - sniffio=1.2.0=py310h06a4308_1
  - soupsieve=2.3.2.post1=py310h06a4308_0
  - stack_data=0.2.0=pyhd3eb1b0_0
  - terminado=0.17.1=py310h06a4308_0
  - testpath=0.6.0=py310h06a4308_0
  - tk=8.6.12=h27826a3_0
  - toml=0.10.2=pyhd3eb1b0_0
  - tornado=6.2=py310h5eee18b_0
  - typing-extensions=4.4.0=py310h06a4308_0
  - typing_extensions=4.4.0=py310h06a4308_0
  - webencodings=0.5.1=py310h06a4308_1
  - websocket-client=0.58.0=py310h06a4308_4
  - widgetsnbextension=3.5.2=py310h06a4308_0
  - xcb-util=0.4.0=h166bdaf_0
  - xcb-util-image=0.4.0=h166bdaf_0
  - xcb-util-keysyms=0.4.0=h166bdaf_0
  - xcb-util-renderutil=0.3.9=h166bdaf_0
  - xcb-util-wm=0.4.1=h166bdaf_0
  - xkeyboard-config=2.38=h0b41bf4_0
  - xorg-kbproto=1.0.7=h7f98852_1002
  - xorg-libice=1.0.10=h7f98852_0
  - xorg-libsm=1.2.3=hd9c2040_1000
  - xorg-libx11=1.8.4=h0b41bf4_0
  - xorg-libxau=1.0.9=h7f98852_0
  - xorg-libxdmcp=1.1.3=h7f98852_0
  - xorg-libxext=1.3.4=h0b41bf4_2
  - xorg-libxrender=0.9.10=h7f98852_1003
  - xorg-renderproto=0.11.1=h7f98852_1002
  - xorg-xextproto=7.3.0=h0b41bf4_1003
  - xorg-xf86vidmodeproto=2.3.1=h7f98852_1002
  - xorg-xproto=7.0.31=h27cfd23_1007
  - xz=5.2.6=h166bdaf_0
  - zeromq=4.3.4=h2531618_0
  - zlib=1.2.13=h166bdaf_4
  - zstd=1.5.2=ha4553b6_0
  - pip:
      - asttokens==2.2.1
      - astunparse==1.6.3
      - backcall==0.2.0
      - biopython==1.81
      - certifi==2023.5.7
      - charset-normalizer==3.1.0
      - contourpy==1.0.7
      - coverage==7.2.5
      - cycler==0.11.0
      - decorator==5.1.1
      - docstring-parser==0.15
      - et-xmlfile==1.1.0
      - exceptiongroup==1.1.1
      - executing==1.2.0
      - fonttools==4.39.3
      - idna==3.4
      - iniconfig==2.0.0
      - ipython==8.13.2
      - jedi==0.18.2
      - joblib==1.2.0
      - kiwisolver==1.4.4
      - matplotlib==3.7.1
      - matplotlib-inline==0.1.6
      - mdciao==0.0.5
      - mdtraj==1.9.7
      - mock==5.0.2
      - natsort==8.3.1
      - nose==1.3.7
      - numpy==1.23.5
      - openpyxl==3.2.0b1
      - packaging==23.1
      - pandas==2.0.1
      - parso==0.8.3
      - pexpect==4.8.0
      - pickleshare==0.7.5
      - pillow==9.5.0
      - pluggy==1.0.0
      - prompt-toolkit==3.0.38
      - ptyprocess==0.7.0
      - pure-eval==0.2.2
      - pygments==2.15.1
      - pyparsing==3.1.0b1
      - pytest==7.3.1
      - python-dateutil==2.8.2
      - pytz==2023.3
      - requests==2.30.0
      - scipy==1.10.1
      - six==1.16.0
      - stack-data==0.6.2
      - tomli==2.0.1
      - tqdm==4.65.0
      - traitlets==5.9.0
      - tzdata==2023.3
      - urllib3==2.0.2
      - wcwidth==0.2.6
      - wheel==0.40.0
      - xlsxwriter==2.0.0
gph82 commented 3 months ago

Hey is this still alive? Can you re-check with the newest release?