-
Notifications
You must be signed in to change notification settings - Fork 2
/
Copy pathenv.yaml
172 lines (171 loc) · 4.07 KB
/
env.yaml
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
name: metatlas
channels:
- openbabel
- psi4
- conda-forge
- defaults
dependencies:
- atomicwrites=1.1.5=py27_0
- attrs=18.1.0=py_1
- backports=1.0=py27_1
- backports.shutil_get_terminal_size=1.0.0=py_3
- backports_abc=0.5=py27_0
- bleach=2.1.3=py_0
- boost=1.66.0=py27_1
- boost-cpp=1.66.0=1
- bzip2=1.0.6=1
- ca-certificates=2018.4.16=0
- certifi=2018.4.16=py27_0
- configparser=3.5.0=py27_0
- dbus=1.13.0=h3a4f0e9_0
- decorator=4.3.0=py_0
- entrypoints=0.2.3=py27_1
- enum34=1.1.6=py27_1
- expat=2.2.5=hfc679d8_1
- fontconfig=2.13.0=0
- freetype=2.8.1=0
- funcsigs=1.0.2=py_2
- functools32=3.2.3.2=py27_2
- futures=3.2.0=py27_0
- gmp=6.1.2=hfc679d8_0
- hdf5=1.8.17=11
- html5lib=1.0.1=py_0
- icu=58.2=hfc679d8_0
- ipykernel=4.8.2=py27_0
- ipython=5.7.0=py27_0
- ipython_genutils=0.2.0=py27_0
- ipywidgets=7.2.1=py27_1
- jinja2=2.10=py27_0
- jpeg=9c=h470a237_0
- jsonschema=2.6.0=py27_1
- jupyter=1.0.0=py_1
- jupyter_client=5.2.3=py27_0
- jupyter_console=5.2.0=py27_0
- jupyter_core=4.4.0=py_0
- libffi=3.2.1=3
- libiconv=1.15=h470a237_1
- libpng=1.6.34=ha92aebf_1
- libsodium=1.0.16=0
- libtiff=4.0.9=he6b73bb_1
- libuuid=1.0.3=1
- libxcb=1.13=h470a237_0
- libxml2=2.9.8=h422b904_1
- markupsafe=1.0=py27_0
- mistune=0.8.3=py27_1
- mkl_fft=1.0.2=py27_0
- mkl_random=1.0.1=py27_0
- molvs=0.1.1=py_0
- more-itertools=4.2.0=py_0
- nbconvert=5.3.1=py_1
- nbformat=4.4.0=py27_0
- ncurses=5.9=10
- notebook=5.5.0=py27_0
- olefile=0.45.1=py27_0
- openssl=1.0.2o=0
- pandas=0.23.1=py27_0
- pandoc=2.2.1=0
- pandocfilters=1.4.2=py27_0
- pathlib2=2.3.2=py27_0
- pcre=8.41=1
- pexpect=4.6.0=py27_0
- pickleshare=0.7.4=py27_0
- pillow=5.2.0=py27_0
- pip=9.0.3=py27_0
- pixman=0.34.0=2
- pluggy=0.6.0=py_0
- prompt_toolkit=1.0.15=py27_0
- ptyprocess=0.6.0=py27_0
- py=1.5.4=py_0
- pycairo=1.16.3=py27h4d1f301_0
- pygments=2.2.0=py27_0
- pyqt=5.6.0=py27_5
- pytest=3.6.2=py27_0
- python=2.7.15=0
- python-dateutil=2.7.3=py_0
- pytz=2018.5=py_0
- pyyaml=3.12=py27_1
- pyzmq=17.0.0=py27_4
- qtconsole=4.3.1=py27_0
- rdkit=2018.03.2=py27h4ce040e_0
- readline=7.0=0
- scandir=1.7=py27_0
- send2trash=1.5.0=py_0
- setuptools=39.2.0=py27_0
- simplegeneric=0.8.1=py27_0
- singledispatch=3.4.0.3=py27_0
- sip=4.18=py27_1
- six=1.11.0=py27_1
- sqlite=3.20.1=2
- terminado=0.8.1=py27_0
- testpath=0.3.1=py27_0
- tk=8.6.7=0
- tornado=5.0.2=py27_0
- tqdm=4.23.4=py_0
- traitlets=4.3.2=py27_0
- wcwidth=0.1.7=py27_0
- webencodings=0.5=py27_0
- wheel=0.31.0=py27_0
- widgetsnbextension=3.2.1=py27_0
- xorg-libxau=1.0.8=h470a237_4
- xorg-libxdmcp=1.1.2=h470a237_4
- xz=5.2.3=0
- yaml=0.1.7=0
- zeromq=4.2.5=2
- zlib=1.2.11=h470a237_3
- cairo=1.14.12=h77bcde2_0
- cloog=0.18.0=0
- glib=2.53.6=h5d9569c_2
- gst-plugins-base=1.12.4=h33fb286_0
- gstreamer=1.12.4=hb53b477_0
- intel-openmp=2018.0.3=0
- isl=0.12.2=0
- libgcc=7.2.0=h69d50b8_2
- libgcc-ng=7.2.0=hdf63c60_3
- libgfortran=3.0.0=1
- libgfortran-ng=7.2.0=hdf63c60_3
- libstdcxx-ng=7.2.0=hdf63c60_3
- mkl=2018.0.3=1
- mpc=1.0.1=0
- mpfr=3.1.2=0
- numpy=1.14.2=py27hdbf6ddf_1
- qt=5.6.2=h974d657_12
- openbabel=2.4.1=py27_5
- chemps2=1.8.3=5
- dkh=1.2=0
- erd=3.0.6=0
- gcc-5=5.2.0=1
- gcc-5-mp=5.2.0=0
- gdma=2.2.6=2
- libefp=1.4.2=0
- libint=1.2.1=0
- libxc=3.0.0=3
- pcmsolver=1.1.10=py27_0
- psi4=1.1+add49b9=py27_0
- psi4-lt-mp=1.1=py27_0
- simint=0.7=0
- pip:
- boltons==18.0.0
- click==6.7
- colorama==0.3.9
- cycler==0.10.0
- face==0.1.0
- fireworks==1.7.4
- flask==1.0.2
- flask-paginate==0.5.1
- glom==18.1.1
- gunicorn==19.8.1
- imolecule==0.1.13
- itsdangerous==0.24
- mendeleev==0.4.2
- monty==1.0.3
- numba==0.36.2
- pyfiglet==0.7.5
- pymongo==3.7.0
- pysdc==2.3.1
- ruamel.ordereddict==0.4.13
- ruamel.yaml==0.15.42
- sqlalchemy==1.2.9
- tabulate==0.8.2
- tensorfieldnetworks==0
- werkzeug==0.14.1
prefix: /home/bkrull/bin/anaconda/envs/metatlas