From c1b3e6aaf11fae07485e40ec058d33efbb7e06bd Mon Sep 17 00:00:00 2001 From: jamesETsmith Date: Fri, 15 Feb 2019 15:18:28 -0700 Subject: [PATCH 1/8] Adding requirements.txt to see test building with mybinder. --- requirements.txt | 6 ++++++ 1 file changed, 6 insertions(+) create mode 100644 requirements.txt diff --git a/requirements.txt b/requirements.txt new file mode 100644 index 0000000000..14931f093c --- /dev/null +++ b/requirements.txt @@ -0,0 +1,6 @@ +scipy +numpy +matplotlib +pytest-cov +cmake +mpi4py From 791e815ffa9fc4b117942dcd7e8d71d4e5fc7a13 Mon Sep 17 00:00:00 2001 From: jamesETsmith Date: Fri, 15 Feb 2019 15:31:01 -0700 Subject: [PATCH 2/8] Testing conda configuration with mybinder. --- environment.yml | 13 +++++++++++++ requirements.txt | 6 ------ 2 files changed, 13 insertions(+), 6 deletions(-) create mode 100644 environment.yml delete mode 100644 requirements.txt diff --git a/environment.yml b/environment.yml new file mode 100644 index 0000000000..41e35a3e7f --- /dev/null +++ b/environment.yml @@ -0,0 +1,13 @@ +name: mybinder-env +channels: + - anaconda + - conda-forge +dependencies: + - python + - cmake + - scipy + - numpy + - matplotlib + - openmpi-mpicxx + - mpi4py + - pytest-cov diff --git a/requirements.txt b/requirements.txt deleted file mode 100644 index 14931f093c..0000000000 --- a/requirements.txt +++ /dev/null @@ -1,6 +0,0 @@ -scipy -numpy -matplotlib -pytest-cov -cmake -mpi4py From 7055134ee784b983c9db7a7a42afd1d436dd45c5 Mon Sep 17 00:00:00 2001 From: jamesETsmith Date: Fri, 15 Feb 2019 15:55:24 -0700 Subject: [PATCH 3/8] Adding postBuild file to run pip install after using conda to install requirements. --- postBuild | 3 +++ 1 file changed, 3 insertions(+) create mode 100644 postBuild diff --git a/postBuild b/postBuild new file mode 100644 index 0000000000..6950b7d7a3 --- /dev/null +++ b/postBuild @@ -0,0 +1,3 @@ +#!/bin/bash + +python -m pip install . --user From 535d32a28616a8f28d16ae03357db490e52067c1 Mon Sep 17 00:00:00 2001 From: jamesETsmith Date: Fri, 15 Feb 2019 18:19:47 -0700 Subject: [PATCH 4/8] Mybinder is working. Adding binder badge to README.md --- README.md | 24 +++++++++++++----------- 1 file changed, 13 insertions(+), 11 deletions(-) diff --git a/README.md b/README.md index a14f88f098..a3eb232148 100644 --- a/README.md +++ b/README.md @@ -6,6 +6,8 @@ [![CodeFactor](https://www.codefactor.io/repository/github/netket/netket/badge)](https://www.codefactor.io/repository/github/netket/netket) [![GitHub Issues](https://img.shields.io/github/issues/netket/netket.svg)](http://github.com/netket/netket/issues) [![License](https://img.shields.io/badge/License-Apache%202.0-blue.svg)](https://opensource.org/licenses/Apache-2.0) +[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/jamesETsmith/netket/mybinder) + # __NetKet__ @@ -30,35 +32,35 @@ of many-body quantum systems with artificial neural networks and machine learnin * Heisenberg * Bose-Hubbard * Custom Hamiltonians - * General k-local Hamiltonians defined on Graphs + * General k-local Hamiltonians defined on Graphs * Any k-local Hamiltonian [from input file] - + * Ground State Solvers - * Stochastic Learning Methods + * Stochastic Learning Methods * Gradient Descent * Stochastic Reconfiguration Method * Direct Solver * Iterative Solver for Large Number of Parameters - * Exact Diagonalization - * Full Solver - * Lanczos Solver - * Imaginary-Time Dynamics + * Exact Diagonalization + * Full Solver + * Lanczos Solver + * Imaginary-Time Dynamics * Optimizers * Stochastic Gradient Descent * AdaMax, AdaDelta, AdaGrad, AMSGrad * RMSProp * Momentum - * Gradient Clipping + * Gradient Clipping * Machines * Restricted Boltzmann Machines * Standard * For Custom Local Hilbert Spaces * With Permutation Symmetry Using Graph Isomorphisms - * Feed-Forward Networks + * Feed-Forward Networks * For Custom Local Hilbert Spaces - * Fully connected layer + * Fully connected layer * Convnet layer for arbitrary underlying graph * Any Layer Satisfying Prototypes in `AbstractLayer` [extending C++ code] * Jastrow wavefunction @@ -79,7 +81,7 @@ of many-body quantum systems with artificial neural networks and machine learnin * Automatic Moves with Hamiltonian Symmetry * Parallel Tempering Versions * Custom Sampling - * Any k-local Stochastic Operator can be used to do Metropolis Sampling + * Any k-local Stochastic Operator can be used to do Metropolis Sampling * Statistics * Automatic Estimate of Correlation Times From de23e94b1398c8dd60cfb4bcae88d442035da899 Mon Sep 17 00:00:00 2001 From: jamesETsmith Date: Thu, 21 Feb 2019 12:41:20 -0700 Subject: [PATCH 5/8] Removing import mpi4py statements from tutorials. --- Tutorials/CustomHamiltonian.ipynb | 3 +-- Tutorials/j1j2.ipynb | 3 +-- 2 files changed, 2 insertions(+), 4 deletions(-) diff --git a/Tutorials/CustomHamiltonian.ipynb b/Tutorials/CustomHamiltonian.ipynb index 3dd9b566af..98d317559c 100644 --- a/Tutorials/CustomHamiltonian.ipynb +++ b/Tutorials/CustomHamiltonian.ipynb @@ -26,7 +26,6 @@ "source": [ "# Import netket library\n", "import netket as nk\n", - "from mpi4py import MPI\n", "\n", "# Helper libraries\n", "import numpy as np\n", @@ -303,7 +302,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.6.6" + "version": "3.6.8" } }, "nbformat": 4, diff --git a/Tutorials/j1j2.ipynb b/Tutorials/j1j2.ipynb index 99815ac154..387e2df77f 100644 --- a/Tutorials/j1j2.ipynb +++ b/Tutorials/j1j2.ipynb @@ -34,7 +34,6 @@ "source": [ "# Import netket library\n", "import netket as nk\n", - "from mpi4py import MPI\n", "\n", "# Helper libraries\n", "import numpy as np\n", @@ -425,7 +424,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.6.6" + "version": "3.6.8" } }, "nbformat": 4, From a0690914d46f9c24afa6aff57416a6554540750b Mon Sep 17 00:00:00 2001 From: jamesETsmith Date: Fri, 15 Mar 2019 08:19:17 -0600 Subject: [PATCH 6/8] Adding CMake to env file. --- environment.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/environment.yml b/environment.yml index a832ba5650..790d548ecd 100644 --- a/environment.yml +++ b/environment.yml @@ -8,4 +8,5 @@ dependencies: - numpy - matplotlib - openmpi + - cmake - pytest-cov From 6eff680100f06b4d51d1e1fabf5963ccdc5ef6a5 Mon Sep 17 00:00:00 2001 From: jamesETsmith Date: Fri, 15 Mar 2019 09:33:46 -0600 Subject: [PATCH 7/8] Removing mpi4py from supervised.ipynb --- Tutorials/supervised.ipynb | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/Tutorials/supervised.ipynb b/Tutorials/supervised.ipynb index a123c1bd48..49dd08baec 100644 --- a/Tutorials/supervised.ipynb +++ b/Tutorials/supervised.ipynb @@ -30,7 +30,6 @@ "source": [ "# Import netket library\n", "import netket as nk\n", - "from mpi4py import MPI\n", "\n", "# Helper libraries\n", "import numpy as np\n", @@ -373,7 +372,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.6.8" + "version": "3.6.7" } }, "nbformat": 4, From c96a03f66956da4577f49ed495594491d1a40b59 Mon Sep 17 00:00:00 2001 From: jamesETsmith Date: Mon, 18 Mar 2019 10:16:17 -0600 Subject: [PATCH 8/8] Updating binder badge to point to a binder for the master branch of the netket repo. --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 3026d7f000..ef051e1eeb 100644 --- a/README.md +++ b/README.md @@ -6,7 +6,7 @@ [![CodeFactor](https://www.codefactor.io/repository/github/netket/netket/badge)](https://www.codefactor.io/repository/github/netket/netket) [![GitHub Issues](https://img.shields.io/github/issues/netket/netket.svg)](http://github.com/netket/netket/issues) [![License](https://img.shields.io/badge/License-Apache%202.0-blue.svg)](https://opensource.org/licenses/Apache-2.0) -[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/jamesETsmith/netket/mybinder) +[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/netket/netket/master) # __NetKet__