-
Notifications
You must be signed in to change notification settings - Fork 1
/
fastmd_lassen.yml
206 lines (206 loc) · 6.42 KB
/
fastmd_lassen.yml
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
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
name: opence-1.8.0
channels:
- file:///collab/usr/global/tools/opence/blueos_3_ppc64le_ib_p9/opence-1.8.0/condabuild-py3.9-cuda11.4
- defaults
- https://ftp.osuosl.org/pub/open-ce/current
- conda-forge
- nvidia
- pytorch
- rdkit
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- _pytorch_select=2.0=cuda_2
- aiosignal=1.2.0=pyhd3eb1b0_0
- asttokens=2.0.5=pyhd3eb1b0_0
- async-timeout=4.0.2=py39h6ffa863_0
- attrs=21.4.0=pyhd3eb1b0_0
- av=10.0.0=py39h65a8404_1
- backcall=0.2.0=pyhd3eb1b0_0
- blas=1.0=openblas
- boost=1.74.0=py39h31502c1_5
- boost-cpp=1.74.0=h9ed6adc_4
- bottleneck=1.3.5=py39h693b716_0
- brotli=1.0.9=hf118e41_7
- brotli-bin=1.0.9=hf118e41_7
- brotli-python=1.0.9=py39h4a02239_7
- brotlipy=0.7.0=py39h140841e_1003
- bzip2=1.0.8=h4e0d66e_4
- c-ares=1.19.1=hf118e41_0
- ca-certificates=2023.08.22=h6ffa863_0
- cairo=1.16.0=h070fdc7_5
- certifi=2023.7.22=py39h6ffa863_0
- cffi=1.15.1=py39hf118e41_3
- charset-normalizer=2.0.4=pyhd3eb1b0_0
- click=8.0.4=py39h6ffa863_0
- colorama=0.4.6=py39h6ffa863_0
- contourpy=1.0.5=py39h25e6d66_0
- cudatoolkit=11.4.4=hd202f8c_10
- cudnn=8.3.0_11.4=h5b181e6_1
- cycler=0.11.0=pyhd3eb1b0_0
- decorator=5.1.1=pyhd3eb1b0_0
- deepchem=2.6.1=pyhd8ed1ab_0
- deprecated=1.2.13=py39h6ffa863_0
- exceptiongroup=1.0.4=py39h6ffa863_0
- executing=0.8.3=pyhd3eb1b0_0
- expat=2.5.0=h4a02239_0
- ffmpeg=4.2.2=h20bf706_0
- filelock=3.9.0=py39h6ffa863_0
- fontconfig=2.14.2=h9146662_0
- fonttools=4.25.0=pyhd3eb1b0_0
- freetype=2.12.1=hd23a775_0
- frozenlist=1.3.3=py39hf118e41_0
- future=0.18.3=py39h6ffa863_0
- giflib=5.2.1=hf118e41_3
- glib=2.69.1=h0f529ac_2
- gmp=6.2.1=h29c3540_3
- gnutls=3.6.15=hd39c10c_0
- greenlet=2.0.1=py39h4a02239_0
- grpcio=1.42.0=py39hedb86c2_0
- h5py=3.6.0=py39hec84839_0
- hdf5=1.12.1=h37c0fa9_2
- htop=3.2.2=h0b9b154_0
- icu=68.1=h29c3540_0
- idna=3.4=py39h6ffa863_0
- importlib_resources=5.2.0=pyhd3eb1b0_1
- ipdb=0.13.13=pyhd8ed1ab_0
- ipython=8.15.0=py39h6ffa863_0
- jedi=0.18.1=py39h6ffa863_1
- joblib=1.2.0=py39h6ffa863_0
- jpeg=9e=hf118e41_1
- jsonschema=4.17.3=py39h6ffa863_0
- kiwisolver=1.4.4=py39h4a02239_0
- krb5=1.20.1=hd1e490d_1
- lame=3.100=h7b6447c_0
- lcms2=2.12=h2045e0b_0
- ld_impl_linux-ppc64le=2.40=hfa29eb9_0
- leveldb=1.20=hf484d3e_1
- libblas=3.9.0=16_linuxppc64le_openblas
- libbrotlicommon=1.0.9=hf118e41_7
- libbrotlidec=1.0.9=hf118e41_7
- libbrotlienc=1.0.9=hf118e41_7
- libcurl=8.2.1=h1c46003_0
- libedit=3.1.20221030=hf118e41_0
- libev=4.33=h140841e_1
- libffi=3.4.2=h4e0d66e_5
- libgcc-ng=13.2.0=h31ea8bd_2
- libgfortran-ng=11.2.0=hb3889a9_1
- libgfortran5=11.2.0=h1234567_1
- libgomp=13.2.0=h31ea8bd_2
- libidn2=2.3.4=hf118e41_0
- liblapack=3.9.0=16_linuxppc64le_openblas
- libnghttp2=1.52.0=hdc06bef_1
- libnl=3.8.0=ha17a0cc_0
- libnsl=2.0.0=ha17a0cc_1
- libopenblas=0.3.21=hd3ce00b_0
- libopus=1.3.1=h7b6447c_0
- libpng=1.6.39=hf118e41_0
- libprotobuf=3.19.6=h727906f_0
- libsqlite=3.43.0=hd4bbf49_0
- libssh2=1.10.0=h049c6bf_2
- libstdcxx-ng=11.2.0=h1234567_1
- libtasn1=4.19.0=hf118e41_0
- libtiff=4.2.0=habc1638_2
- libunistring=0.9.10=h140841e_0
- libuuid=2.38.1=h4194056_0
- libvpx=1.7.0=hf484d3e_0
- libwebp=1.3.2=h0f96ee2_0
- libwebp-base=1.3.2=hf118e41_0
- libxcb=1.15=h140841e_0
- libzlib=1.2.13=ha17a0cc_5
- llvm-openmp=14.0.6=h33aec20_0
- lmdb=0.9.29=h29c3540_0
- lz4-c=1.9.4=h4a02239_0
- matplotlib-base=3.7.2=py39h83ae58a_0
- matplotlib-inline=0.1.6=py39h6ffa863_0
- msgpack-python=1.0.3=py39h66086b3_0
- munkres=1.1.4=py_0
- nccl=2.12.7=cuda11.4_1
- ncurses=6.4=h344580c_0
- nettle=3.7.3=hdc176a3_1
- networkx=2.8.4=py39h6ffa863_1
- nomkl=3.0=0
- numactl=2.0.12=hba61f60_6
- numexpr=2.8.4=py39hab0bb09_1
- numpy-base=1.23.4=py39h1bde650_0
- openblas-devel=0.3.21=h6ffa863_0
- openh264=2.1.1=h5f94dde_0
- openssl=1.1.1w=h140841e_0
- packaging=23.1=py39h6ffa863_0
- pandas=2.0.3=py39h83ae58a_0
- parso=0.8.3=pyhd3eb1b0_0
- pcre=8.45=h29c3540_0
- pexpect=4.8.0=pyhd3eb1b0_3
- pickleshare=0.7.5=pyhd3eb1b0_1003
- pillow=9.4.0=py39h4a02239_1
- pip=23.2.1=pyhd8ed1ab_0
- pixman=0.40.0=h140841e_1
- prompt-toolkit=3.0.36=py39h6ffa863_0
- protobuf=3.19.6=py39h4a02239_0
- psutil=5.9.0=py39hf118e41_0
- ptyprocess=0.7.0=pyhd3eb1b0_2
- pure_eval=0.2.2=pyhd3eb1b0_0
- pycairo=1.23.0=py39hb0eba6d_0
- pycparser=2.21=pyhd3eb1b0_0
- pygments=2.15.1=py39h6ffa863_1
- pyparsing=3.0.9=py39h6ffa863_0
- pyrsistent=0.18.0=py39h7a5889e_0
- pysocks=1.7.1=py39h6ffa863_0
- python=3.9.18=hf689259_0
- python-dateutil=2.8.2=pyhd3eb1b0_0
- python-tzdata=2023.3=pyhd3eb1b0_0
- python_abi=3.9=2_cp39
- pytorch=1.13.0=cuda11.4_py39_1
- pytorch-base=1.13.0=cuda11.4_py39_pb3.19_2
- pytz=2023.3.post1=py39h6ffa863_0
- pyyaml=6.0=py39hf118e41_1
- ray-core=2.0.1=py39hc235730_1
- ray-tune=2.0.1=py39h4275872_1
- rdkit=2021.03.5=py39h584b56c_0
- readline=8.2=h0b9b154_1
- redis-py=4.3.4=py39h6ffa863_0
- reportlab=3.5.67=py39hf2fe1d4_1
- requests=2.31.0=py39h6ffa863_0
- scikit-learn=1.3.0=py39h83ae58a_0
- scipy=1.8.1=py39he4da845_0
- sentencepiece=0.1.96=hab8c2fa_py39_pb3.19_5
- setproctitle=1.2.2=py39h140841e_1004
- setuptools=68.2.2=pyhd8ed1ab_0
- six=1.16.0=pyhd3eb1b0_1
- skorch=0.15.0=pyh7448d05_0
- snappy=1.1.9=h29c3540_0
- sqlalchemy=2.0.21=py39hf118e41_0
- sqlite=3.41.2=hf118e41_0
- stack_data=0.2.0=pyhd3eb1b0_0
- tabulate=0.8.10=py39h6ffa863_0
- tensorboardx=2.2=pyhd3eb1b0_0
- threadpoolctl=2.2.0=pyh0d69192_0
- tk=8.6.13=hd4bbf49_0
- toml=0.10.2=pyhd3eb1b0_0
- torchmetrics=0.11.4=py39hd93d254_1
- torchtext-base=0.14.0=cuda11.4_py39_1
- torchvision-base=0.14.0=cuda11.4_py39_1
- tqdm=4.65.0=py39he95b402_0
- traitlets=5.7.1=py39h6ffa863_0
- typing-extensions=4.7.1=py39h6ffa863_0
- typing_extensions=4.7.1=py39h6ffa863_0
- tzdata=2023c=h71feb2d_0
- urllib3=1.26.17=pyhd8ed1ab_0
- virtualenv=16.7.5=py_0
- wcwidth=0.2.5=pyhd3eb1b0_0
- wheel=0.41.2=pyhd8ed1ab_0
- wrapt=1.14.1=py39hf118e41_0
- x264=1!157.20191217=h7b6447c_0
- xz=5.4.2=hf118e41_0
- yaml=0.2.5=h7b6447c_0
- zipp=3.11.0=py39h6ffa863_0
- zlib=1.2.13=ha17a0cc_5
- zstd=1.5.2=hc52992f_0
- pip:
- fastprogress==1.0.3
- gensim==4.3.2
- numpy==1.26.0
- selfies==2.1.1
- smart-open==6.4.0
- smilespe==0.0.3
prefix: /usr/workspace/jones289/anaconda3-power/envs/opence-1.8.0