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Details of changes made to refnx | ||
================================ | ||
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0.1.1 | ||
----- | ||
- removal of Python 2.7 support |
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# refnx - Installation and Development Instructions | ||
|
||
refnx is a python package for analysis of neutron and X-ray reflectometry data. | ||
It can also be used as a generalised curvefitting tool. It uses Markov Chain | ||
Monte Carlo to obtain posterior distributions for curvefitting problems. | ||
|
||
-------------- | ||
# Installation | ||
|
||
*refnx* has been tested on Python 3.5, 3.6 and 3.7. It requires the *numpy, | ||
scipy, cython, pandas, emcee* packages to work. Additional features require the | ||
*pytest, h5py, xlrd, uncertainties, ptemcee, tqdm, matplotlib, pymc3* packages. | ||
To build the bleeding edge code you will need to have access to a C-compiler to | ||
build a couple of Python extensions. C-compilers should be installed on Linux. | ||
On OSX you will need to install Xcode and the command line tools. On Windows you | ||
will need to install the correct [Visual Studio compiler][Visual-studio-compiler] | ||
for your Python version. | ||
|
||
In the current version of *refnx* the *emcee* package is vendored by *refnx*. That | ||
is, *refnx* possesses it's own private copy of the package, and there is no need to | ||
install the *emcee* package separately. | ||
|
||
## Installation into a *conda* environment | ||
|
||
Perhaps the easiest way to create a scientific computing environment is to use the | ||
[miniconda][miniconda] package manager. Once *conda* has been installed the first | ||
step is to create a *conda* environment. | ||
|
||
### Creating a conda environment | ||
|
||
1) In a shell window create a conda environment and install the dependencies. The **-n** flag indicates that the environment is called *refnx*. | ||
|
||
```conda create -n refnx python=3.7 numpy scipy cython pandas h5py xlrd pytest tqdm``` | ||
2) Activate the environment that we're going to be working in: | ||
|
||
``` | ||
# on OSX | ||
conda activate refnx | ||
# on windows | ||
conda activate refnx | ||
``` | ||
3) Install the remaining dependencies: | ||
```pip install uncertainties ptemcee``` | ||
|
||
### Installing into a conda environment from source | ||
|
||
The latest source code can be obtained from either [PyPi][PyPi] or [Github][github-refnx]. You can also build the package from within the refnx git repository (see later in this document). | ||
1) In a shell window navigate into the source directory and build the package. If you are on Windows you'll need to start a Visual Studio command window. | ||
``` | ||
python setup.py build | ||
python setup.py install | ||
``` | ||
2) Run the tests, they should all work. | ||
``` | ||
python setup.py test | ||
``` | ||
|
||
### Installing into a conda environment from a released version | ||
|
||
1) There are pre-built versions on *conda-forge*, but they're not necessarily at the bleeding edge: | ||
|
||
```conda install -c conda-forge refnx``` | ||
2) Start up a Python interpreter and make sure the tests run: | ||
``` | ||
>>> import refnx | ||
>>> refnx.test() | ||
``` | ||
|
||
----------------------- | ||
## Development Workflow | ||
|
||
These instructions outline the workflow for contributing to refnx development. | ||
The refnx community welcomes all contributions that will improve the package. | ||
The following instructions are based on use of a command line *git* client. | ||
*Git* is a distributed version control program. An example of [how to contribute to the numpy project][numpy-contrib] | ||
is a useful reference. | ||
|
||
### Setting up a local git repository | ||
1) Create an account on [github](https://github.com/). | ||
2) On the [refnx github][github-refnx] page fork the *refnx* repository to your own github account. Forking means that now you have your own personal repository of the *refnx* code. | ||
3) Now we will make a local copy of your personal repository on your local machine: | ||
``` | ||
# <username> is your github username | ||
git clone https://github.com/<username>/refnx.git | ||
``` | ||
4) Add the *refnx* remote repository, we're going to refer to the remote with the *upstream* name: | ||
``` | ||
git remote add upstream https://github.com/refnx/refnx.git | ||
``` | ||
5) List the remote repositories that your local repository knows about: | ||
``` | ||
git remote -v | ||
``` | ||
|
||
### Keeping your local and remote repositories up to date | ||
The main *refnx* repository may be a lot more advanced than your fork, or your local copy, of the git repository. | ||
1) To update your repositories you need to fetch the changes from the main *refnx* repository: | ||
``` | ||
git fetch upstream | ||
``` | ||
2) Now update the local branch you're on by rebasing against the *refnx* master branch: | ||
``` | ||
git rebase upstream/master | ||
``` | ||
3) Push your updated local branch to the remote fork on github. You have to specify the remote branch you're pushing to. Here we push to the *master* branch: | ||
``` | ||
git push origin master | ||
``` | ||
|
||
### Adding a feature | ||
The git repository is automatically on the master branch to start with. However, | ||
when developing features that you'd like to contribute to the *refnx* project | ||
you'll need to do it on a feature branch. | ||
|
||
1) Create a feature branch and check it out: | ||
``` | ||
git branch my_feature_name | ||
git checkout my_feature_name | ||
``` | ||
2) Once you're happy with the changes you've made you should check that the tests still work: | ||
``` | ||
python setup.py test | ||
``` | ||
3) If the performance of what you've added/changed may be critical, then consider writing a benchmark. The benchmarks use | ||
the *asv* package and are run as: | ||
``` | ||
cd benchmarks | ||
pip install asv | ||
asv run | ||
asv publish | ||
asv preview | ||
``` | ||
For an example benchmark look at one of the files in the *benchmarks* directory. | ||
4) Now commit the changes. You'll have to supply a commit message that outlines the changes you made. The commit message should follow the [numpy guidelines][numpy-contib] | ||
``` | ||
git commit -a | ||
``` | ||
5) Now you need to push those changes on the *my_feature_branch* branch to *your* fork of the refnx repository on github: | ||
``` | ||
git push origin my_feature_branch | ||
``` | ||
6) On the main [refnx][github-refnx] repository you should be able to create a pull request (PR). The PR says that you'd like the *refnx* project to include the changes you made. | ||
7) Once the automated tests have passed, and the *refnx* maintainers are happy with the changes you've made then the PR is merged. You can then delete the feature branch on github, and delete your local feature branch: | ||
``` | ||
git branch -D my_feature_branch | ||
``` | ||
|
||
[PyPi]: <https://pypi.python.org/pypi/refnx> | ||
[github-refnx]: <https://github.com/refnx/refnx> | ||
[Visual-studio-compiler]: <https://wiki.python.org/moin/WindowsCompilers> | ||
[miniconda]: <https://conda.io/docs/install/quick.html> | ||
# refnx - Installation and Development Instructions | ||
|
||
refnx is a python package for analysis of neutron and X-ray reflectometry data. | ||
It can also be used as a generalised curvefitting tool. It uses Markov Chain | ||
Monte Carlo to obtain posterior distributions for curvefitting problems. | ||
|
||
-------------- | ||
# Installation | ||
|
||
*refnx* has been tested on Python 3.5, 3.6 and 3.7. It requires the *numpy, | ||
scipy, cython, pandas, emcee* packages to work. Additional features require the | ||
*pytest, h5py, xlrd, uncertainties, ptemcee, tqdm, matplotlib, pymc3* packages. | ||
To build the bleeding edge code you will need to have access to a C-compiler to | ||
build a couple of Python extensions. C-compilers should be installed on Linux. | ||
On OSX you will need to install Xcode and the command line tools. On Windows you | ||
will need to install the correct [Visual Studio compiler][Visual-studio-compiler] | ||
for your Python version. | ||
|
||
In the current version of *refnx* the *emcee* package is vendored by *refnx*. That | ||
is, *refnx* possesses it's own private copy of the package, and there is no need to | ||
install the *emcee* package separately. | ||
|
||
## Installation into a *conda* environment | ||
|
||
Perhaps the easiest way to create a scientific computing environment is to use the | ||
[miniconda][miniconda] package manager. Once *conda* has been installed the first | ||
step is to create a *conda* environment. | ||
|
||
### Creating a conda environment | ||
|
||
1) In a shell window create a conda environment and install the dependencies. The **-n** flag indicates that the environment is called *refnx*. | ||
|
||
```conda create -n refnx python=3.7 numpy scipy cython pandas h5py xlrd pytest tqdm``` | ||
2) Activate the environment that we're going to be working in: | ||
|
||
``` | ||
# on OSX | ||
conda activate refnx | ||
# on windows | ||
conda activate refnx | ||
``` | ||
3) Install the remaining dependencies: | ||
```pip install uncertainties ptemcee``` | ||
|
||
### Installing into a conda environment from source | ||
|
||
The latest source code can be obtained from either [PyPi][PyPi] or [Github][github-refnx]. You can also build the package from within the refnx git repository (see later in this document). | ||
1) In a shell window navigate into the source directory and build the package. If you are on Windows you'll need to start a Visual Studio command window. | ||
``` | ||
python setup.py build | ||
python setup.py install | ||
``` | ||
2) Run the tests, they should all work. | ||
``` | ||
python setup.py test | ||
``` | ||
|
||
### Installing into a conda environment from a released version | ||
|
||
1) There are pre-built versions on *conda-forge*, but they're not necessarily at the bleeding edge: | ||
|
||
```conda install -c conda-forge refnx``` | ||
2) Start up a Python interpreter and make sure the tests run: | ||
``` | ||
>>> import refnx | ||
>>> refnx.test() | ||
``` | ||
|
||
----------------------- | ||
## Development Workflow | ||
|
||
These instructions outline the workflow for contributing to refnx development. | ||
The refnx community welcomes all contributions that will improve the package. | ||
The following instructions are based on use of a command line *git* client. | ||
*Git* is a distributed version control program. An example of [how to contribute to the numpy project][numpy-contrib] | ||
is a useful reference. | ||
|
||
### Setting up a local git repository | ||
1) Create an account on [github](https://github.com/). | ||
2) On the [refnx github][github-refnx] page fork the *refnx* repository to your own github account. Forking means that now you have your own personal repository of the *refnx* code. | ||
3) Now we will make a local copy of your personal repository on your local machine: | ||
``` | ||
# <username> is your github username | ||
git clone https://github.com/<username>/refnx.git | ||
``` | ||
4) Add the *refnx* remote repository, we're going to refer to the remote with the *upstream* name: | ||
``` | ||
git remote add upstream https://github.com/refnx/refnx.git | ||
``` | ||
5) List the remote repositories that your local repository knows about: | ||
``` | ||
git remote -v | ||
``` | ||
|
||
### Keeping your local and remote repositories up to date | ||
The main *refnx* repository may be a lot more advanced than your fork, or your local copy, of the git repository. | ||
1) To update your repositories you need to fetch the changes from the main *refnx* repository: | ||
``` | ||
git fetch upstream | ||
``` | ||
2) Now update the local branch you're on by rebasing against the *refnx* master branch: | ||
``` | ||
git rebase upstream/master | ||
``` | ||
3) Push your updated local branch to the remote fork on github. You have to specify the remote branch you're pushing to. Here we push to the *master* branch: | ||
``` | ||
git push origin master | ||
``` | ||
|
||
### Adding a feature | ||
The git repository is automatically on the master branch to start with. However, | ||
when developing features that you'd like to contribute to the *refnx* project | ||
you'll need to do it on a feature branch. | ||
|
||
1) Create a feature branch and check it out: | ||
``` | ||
git branch my_feature_name | ||
git checkout my_feature_name | ||
``` | ||
2) Once you're happy with the changes you've made you should check that the tests still work: | ||
``` | ||
python setup.py test | ||
``` | ||
3) If the performance of what you've added/changed may be critical, then consider writing a benchmark. The benchmarks use | ||
the *asv* package and are run as: | ||
``` | ||
cd benchmarks | ||
pip install asv | ||
asv run | ||
asv publish | ||
asv preview | ||
``` | ||
For an example benchmark look at one of the files in the *benchmarks* directory. | ||
4) Now commit the changes. You'll have to supply a commit message that outlines the changes you made. The commit message should follow the [numpy guidelines][numpy-contib] | ||
``` | ||
git commit -a | ||
``` | ||
5) Now you need to push those changes on the *my_feature_branch* branch to *your* fork of the refnx repository on github: | ||
``` | ||
git push origin my_feature_branch | ||
``` | ||
6) On the main [refnx][github-refnx] repository you should be able to create a pull request (PR). The PR says that you'd like the *refnx* project to include the changes you made. | ||
7) Once the automated tests have passed, and the *refnx* maintainers are happy with the changes you've made then the PR is merged. You can then delete the feature branch on github, and delete your local feature branch: | ||
``` | ||
git branch -D my_feature_branch | ||
``` | ||
|
||
[PyPi]: <https://pypi.python.org/pypi/refnx> | ||
[github-refnx]: <https://github.com/refnx/refnx> | ||
[Visual-studio-compiler]: <https://wiki.python.org/moin/WindowsCompilers> | ||
[miniconda]: <https://conda.io/docs/install/quick.html> | ||
[numpy-contrib]: <https://docs.scipy.org/doc/numpy/dev/> |
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