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fragresp.yml
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fragresp.yml
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name: fragresp
channels:
- openeye
- ambermd
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1
- _openmp_mutex=4.5
- ambertools=18.13
- attrs=19.3.0
- boost=1.72.0
- boost-cpp=1.72.0
- bzip2=1.0.8
- ca-certificates=2020.6.20
- cairo=1.16.0
- certifi=2020.6.20
- cycler=0.10.0
- dbus=1.13.6
- expat=2.2.9
- fontconfig=2.13.1
- fortranformat=0.2.5
- freetype=2.10.2
- gettext=0.19.8.1
- glib=2.65.0
- gst-plugins-base=1.14.5
- gstreamer=1.14.5
- icu=64.2
- jpeg=9d
- kiwisolver=1.2.0
- lcms2=2.11
- ld_impl_linux-64=2.34
- libblas=3.8.0
- libcblas=3.8.0
- libclang=9.0.1
- libffi=3.2.1
- libgcc-ng=9.2.0
- libgfortran-ng=7.5.0
- libgomp=9.2.0
- libiconv=1.15
- liblapack=3.8.0
- libllvm9=9.0.1
- libopenblas=0.3.10
- libpng=1.6.37
- libstdcxx-ng=9.2.0
- libtiff=4.1.0
- libuuid=2.32.1
- libwebp-base=1.1.0
- libxcb=1.13
- libxkbcommon=0.10.0
- libxml2=2.9.10
- lz4-c=1.9.2
- matplotlib=3.1.2
- matplotlib-base=3.1.2
- molvs=0.1.1
- more-itertools=8.4.0
- ncurses=6.2
- nspr=4.26
- nss=3.47
- numpy=1.17.3
- olefile=0.46
- openbabel=3.0.0
- openeye-toolkits=2020.0.4
- openssl=1.1.1g
- packaging=20.4
- pandas=1.0.5
- parmed=3.2.0
- pcre=8.44
- pillow=7.2.0
- pip=20.1.1
- pixman=0.38.0
- pluggy=0.13.1
- pthread-stubs=0.4
- py=1.9.0
- pycairo=1.19.1
- pyparsing=2.4.7
- pyqt=5.12.3
- pytest=5.4.3
- python=3.8.4
- python-dateutil=2.8.1
- python_abi=3.8
- pytz=2020.1
- qt=5.12.5
- rdkit=2020.03.3
- readline=8.0
- scipy=1.4.1
- setuptools=49.2.0
- six=1.15.0
- sqlite=3.32.3
- tk=8.6.10
- tornado=6.0.4
- wcwidth=0.2.5
- wheel=0.34.2
- xorg-kbproto=1.0.7
- xorg-libice=1.0.10
- xorg-libsm=1.2.3
- xorg-libx11=1.6.9
- xorg-libxau=1.0.9
- xorg-libxdmcp=1.1.3
- xorg-libxext=1.3.4
- xorg-libxrender=0.9.10
- xorg-renderproto=0.11.1
- xorg-xextproto=7.3.0
- xorg-xproto=7.0.31
- xz=5.2.5
- zlib=1.2.11
- zstd=1.4.4
- pip:
- pyqt5-sip==4.19.18
- pyqtchart==5.12
- pyqtwebengine==5.12.1
prefix: /home/tobias/progs/anaconda3/envs/fragresp