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--- cluster:215 [2023/10/31 14:12]
hmeij07 [Miniconda3-py311]
+++ cluster:215 [2023/11/10 16:16]
hmeij07 [Miniconda3-py311]
@@ Line 22: / Line 22: @@
   * https://mtazzari.github.io/galario/install.html
   * module: python/3.12.0
+  * hugheslab
+  * added disutils for mdtraj (sakkas)
+<code>
+# had to dig around aiohttp fails
+# by installing an older version first
+pip3 install aiohttp==3.9.0b0
+# then
+pip3 install disutils
+Successfully installed asyncio-3.4.3 disutils-1.4.32.post2
+</code>
 ===== Miniconda3-py311 =====
@@ Line 83: / Line 97: @@
 # pollacklab
+# do not load the module but source this file
-# To activate this environment, use
+[hmeij@cottontail2 ~]$ source /share/apps/CENTOS8/ohpc/software/miniconda3/py311/etc/profile.d/conda.sh
-#
-#     $ conda activate sage
+[hmeij@cottontail2 ~]$ conda activate sage
-#
-# To deactivate an active environment, use
+(sage) [hmeij@cottontail2 ~]$ sage --version
-#
+SageMath version 10.0, Release Date: 2023-05-20
-#     $ conda deactivate
+(sage) [hmeij@cottontail2 ~]$ sage
+┌────────────────────────────────────────────────────────────────────┐
+│ SageMath version 10.0, Release Date: 2023-05-20                    │
+│ Using Python 3.11.4. Type "help()" for help.                       │
+└────────────────────────────────────────────────────────────────────┘
+sage: exit
+(sage) [hmeij@cottontail2 ~]$ conda deactivate
+[hmeij@cottontail2 ~]$
 </code>
+ * **mdtraj**
+<code>
+[hmeij@cottontail2 ~]$ which python
+/share/apps/CENTOS8/ohpc/software/miniconda3/py311/bin/python
+[hmeij@cottontail2 ~]$ python
+Python 3.11.4 (main, Jul  5 2023, 13:45:01) [GCC 11.2.0] on linux
+Type "help", "copyright", "credits" or "license" for more information.
+>>> import mdtraj as mt
+>>>
+</code>
 ===== Pytraj ====

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