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switch install to mamba #194

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atravitz wants to merge 5 commits into from
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switch install to mamba #194

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d337809
switch install to mamba
atravitz Feb 24, 2025
8bf7d17
Revert "switch install to mamba"
atravitz Feb 25, 2025
75c1c27
trying again with correct formatting
atravitz Feb 25, 2025
8fc3581
add -q flag
atravitz Feb 25, 2025
a0f1235
remove showcase script
atravitz Feb 25, 2025
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7 changes: 4 additions & 3 deletions showcase/openfe_showcase.ipynb
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Original file line number Diff line number Diff line change
Expand Up @@ -69,7 +69,7 @@
},
{
"cell_type": "code",
"execution_count": 1,
"execution_count": null,
"id": "-jX9udRGehD3",
"metadata": {
"colab": {
Expand All @@ -88,12 +88,12 @@
"if \"COLAB_RELEASE_TAG\" in os.environ:\n",
" !pip install -q condacolab\n",
" import condacolab\n",
" condacolab.install_from_url(\"https://github.com/OpenFreeEnergy/openfe/releases/download/v1.3.0/OpenFEforge-1.3.0-Linux-x86_64.sh\")"
" condacolab.install()"
]
},
{
"cell_type": "code",
"execution_count": 2,
"execution_count": null,
"id": "dlCARZ2_fAI4",
"metadata": {
"colab": {
Expand All @@ -113,6 +113,7 @@
" import condacolab\n",
" import locale\n",
" locale.getpreferredencoding = lambda: \"UTF-8\"\n",
" !mamba -q install openfe\n",
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@IAlibay IAlibay Feb 25, 2025

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This makes sense to me, but @mikemhenry should really be the approver here.

" !mkdir inputs && cd inputs && openfe fetch rbfe-tutorial\n",
" for _ in range(3):\n",
" # Sometimes we have to re-run the check\n",
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