Skip to content

Commit 94985d9

Browse files
authored
Update README. Recommend conda-forge
1 parent 93b202a commit 94985d9

File tree

1 file changed

+47
-30
lines changed

1 file changed

+47
-30
lines changed

README.rst

Lines changed: 47 additions & 30 deletions
Original file line numberDiff line numberDiff line change
@@ -13,11 +13,41 @@ The documentation for this release of pyobjcryst can be found on-line at
1313
http://diffpy.github.io/pyobjcryst.
1414

1515

16-
REQUIREMENTS
16+
INSTALLATION
1717
------------
18+
pyobjcryst is available for Python 3.7 (deprecated), and 3.8 to 3.11.
19+
20+
Note regarding windows: on conda-forge, pyobjcryst 2.2.3 is available
21+
for python3.7 only, and version 2.2.4 is available for python 3.8 and
22+
3.9 using a `pypy` environment rather than the regular cpython interpreter.
23+
24+
Using conda (recommended)
25+
^^^^^^^^^^^^^^^^^^^^^^^^^
26+
27+
We recommend to use `Anaconda Python <https://www.anaconda.com/download>`_
28+
as it allows to install all software dependencies together with
29+
pyobjcryst. For other Python distributions it is necessary to
30+
install the required software separately.
31+
32+
Using conda, we recommend installing pyobjcryst using the "conda-forge" channel ::
33+
34+
conda install -c conda-forge pyobjcryst
35+
36+
Note: when updating, please make sure you are upgrading both
37+
libobjcryst and pyobjcryst packages.
38+
39+
You can also install from the "diffpy" channel - especially if you use
40+
pyobjcryst allong with the other diffpy tools for PDF calculations,
41+
but it is not updated as often as conda-forge.
42+
43+
pyobjcryst is also included in the "diffpy-cmi" collection
44+
of packages for structure analysis ::
45+
46+
conda install -c diffpy diffpy-cmi
1847

19-
pyobjcryst requires Python 3.7, 3.6, 3.5 or 2.7, C++ compiler and
20-
the following software:
48+
From source
49+
^^^^^^^^^^^
50+
The requirements are:
2151

2252
* ``libobjcryst`` - Object-Oriented Crystallographic Library for C++,
2353
https://github.com/diffpy/libobjcryst
@@ -27,40 +57,26 @@ the following software:
2757
* ``libboost-all-dev`` - Boost C++ libraries and development files
2858
* ``scons`` - software construction tool (optional)
2959

30-
We recommend to use `Anaconda Python <https://www.anaconda.com/download>`_
31-
as it allows to install all software dependencies together with
32-
pyobjcryst. For other Python distributions it is necessary to
33-
install the required software separately. As an example, on Ubuntu
34-
Linux the required software can be installed using ::
60+
The above requirements are easily installed through conda using e.g.::
61+
62+
conda install numpy compilers boost scons libobjcryst
63+
64+
Alternatively, on Ubuntu Linux the required software can be installed using::
3565

3666
sudo apt-get install \
3767
python-setuptools python-numpy scons \
3868
build-essential python-dev libboost-all-dev
3969

4070

41-
INSTALLATION
42-
------------
43-
44-
The preferred method is to use Anaconda Python and install from the
45-
"diffpy" channel of Anaconda packages ::
46-
47-
conda config --add channels diffpy
48-
conda install pyobjcryst
49-
50-
pyobjcryst is also included in the "diffpy-cmi" collection
51-
of packages for structure analysis ::
52-
53-
conda install diffpy-cmi
54-
55-
If you prefer to use other Python distribution or install from sources,
56-
you must first install the libobjcryst library as per the instructions at
57-
https://github.com/diffpy/libobjcryst. Make sure other required
58-
software is also in place and then run::
71+
The libobjcryst library can also be installed as per the instructions at
72+
https://github.com/diffpy/libobjcryst. Make sure other required
73+
software are also in place and then run from the pyobjcryst directory::
5974

60-
python setup.py install
75+
pip install .
6176

6277
You may need to use ``sudo`` with system Python so the process is
63-
allowed to copy files to system directories. If administrator (root)
78+
allowed to copy files to system directories, unless you are installing
79+
into a conda environment. If administrator (root)
6480
access is not available, see the usage information from
6581
``python setup.py install --help`` for options to install to
6682
a user-writable location. The installation integrity can be
@@ -100,9 +116,10 @@ be installed using conda(-forge), but ``py3dmol`` should be installed using
100116
DEVELOPMENT
101117
-----------
102118

103-
pyobjcryst is an open-source software developed as a part of the
119+
pyobjcryst is an open-source software originally developed as a part of the
104120
DiffPy-CMI complex modeling initiative at the Brookhaven National
105-
Laboratory. The pyobjcryst sources are hosted at
121+
Laboratory, and is also further developed at ESRF.
122+
The pyobjcryst sources are hosted at
106123
https://github.com/diffpy/pyobjcryst.
107124

108125
Feel free to fork the project and contribute. To install pyobjcryst

0 commit comments

Comments
 (0)