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| { | |
| # build in this way @johan | |
| # cargo build --target aarch64-unknown-linux-gnu | |
| description = "Rust cross-compilation example with flakes"; | |
| inputs = { | |
| nixpkgs.url = "github:nixos/nixpkgs/nixos-24.05"; | |
| flake-utils.url = "github:numtide/flake-utils"; | |
| rust-overlay.url = "github:oxalica/rust-overlay"; |
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| // lex the workflow language | |
| // In rust it can use macro to define. | |
| // here is more for a generic DSL defined from scratch with a concret specification. | |
| // The input has raw format with also the ShellProcess definition in it. | |
| // simple seq operation | |
| // wf foobar(input: I) -> OB { | |
| // proc proc_a = AProcess[I -> OA] | |
| // proc proc_b = BProcess[OA -> OB] | |
| // |
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| <UPF version="2.0.1"> | |
| <PP_INFO> | |
| Generated using Vanderbilt code, version 7 3 6 | |
| Author: kfg Generation date: 31 3 15 | |
| Automatically converted from original format | |
| 1 The Pseudo was generated with a Scalar-Relativistic Calculation | |
| 2.23000000000E+00 Local Potential cutoff radius | |
| nl pn l occ Rcut Rcut US E pseu | |
| 4P 4 1 6.00 0.00000000000 1.53000000000 -4.15068716400 | |
| 4D 4 2 9.50 0.00000000000 1.63000000000 -0.66209811300 |
As of May 4th, 2021, erlang is not available from macports for the ARM (Apple Silicon) platform.
Docker containers make it super easy to install postgresql and rabbitmq.
The M1 chips have great parallelism, so I'd hope to be able to run docker without noticing the overhead too much.
I could use conda as well, but docker provides the neat docker-compose.yaml that makes it possible to start up and shut down all the services required with a single command.
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| # -*- coding: utf-8 -*- | |
| ########################################################################### | |
| # Copyright (c), The AiiDA team. All rights reserved. # | |
| # This file is part of the AiiDA code. # | |
| # # | |
| # The code is hosted on GitHub at https://github.com/aiidateam/aiida-core # | |
| # For further information on the license, see the LICENSE.txt file # | |
| # For further information please visit http://www.aiida.net # | |
| ########################################################################### | |
| # pylint: disable=no-name-in-module |
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| diff --git a/Dockerfile b/Dockerfile | |
| index 433c334..fcb1d09 100644 | |
| --- a/Dockerfile | |
| +++ b/Dockerfile | |
| @@ -38,12 +38,17 @@ RUN /usr/bin/pip3 install \ | |
| # TODO, remove when https://github.com/aiidateam/aiida-sssp/pull/25 is merged | |
| # and installed on AiiDA lab | |
| WORKDIR /opt/pseudos | |
| -RUN base_url=http://legacy-archive.materialscloud.org/file/2018.0001/v3; \ | |
| -wget ${base_url}/SSSP_efficiency_pseudos.aiida; \ |
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| @pytest.mark.asyncio | |
| async def test_wait_pause_play_resume(): | |
| """ | |
| Test that if you pause a process that and its awaitable finishes that it | |
| completes correctly when played again. | |
| """ | |
| proc = utils.WaitForSignalProcess() | |
| asyncio.ensure_future(proc.step_until_terminated()) | |
| await utils.run_until_waiting(proc) |
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| import numpy as np | |
| import matplotlib.pyplot as plt | |
| # fitting equation: y = (a-d)/(1+(x/c)^b)+d | |
| # genrate the data set | |
| a,b,c,d = 1,2,3,4 | |
| x = np.arange(0,10,0.01) | |
| y = (a-d)/(1+(x/c)**b)+d + 0.1*np.random.random(len(x)) |
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| ENV["EDITOR"] = "atom" | |
| const PLOTS_DEFAULTS = Dict(:theme => :wong) | |
| try | |
| @eval using Revise | |
| # Turn on Revise's automatic-evaluation behavior | |
| Revise.async_steal_repl_backend() | |
| @eval using Rebugger | |
| # Activate Rebugger's key bindings |
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