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lines changed Original file line number Diff line number Diff line change 55- Many new functionals in the SCAN family have been added. Thanks to James
66 Furness for the contribution.
77 See [ PR #140 ] ( https://github.com/dftlibs/xcfun/pull/140 )
8+ - The library is now available both as a Spack and a Conda package.
89- The library can now be _ natively_ compiled on Linux, macOS, and Windows.
910
1011### Changed
@@ -125,6 +126,7 @@ modernize the library. See the [migration guide](https://xcfun.readthedocs.io/en
125126- ** BREAKING** The Fortran interface is no longer build with the code, but
126127 shipped as a separate file to be compiled within your own Fortran code.
127128
129+ [ Version 2.1.0 ] : https://github.com/dftlibs/xcfun/compare/v2.0.2...v2.1.0
128130[ Version 2.0.2 ] : https://github.com/dftlibs/xcfun/compare/v2.0.1...v2.0.2
129131[ Version 2.0.1 ] : https://github.com/dftlibs/xcfun/compare/v2.0.0...v2.0.1
130132[ Version 2.0.0 ] : https://github.com/dftlibs/xcfun/compare/v2.0.0a7...v2.0.0
Original file line number Diff line number Diff line change 33[ ![ GitHub license] ( https://img.shields.io/github/license/dftlibs/xcfun.svg?style=flat-square )] ( https://github.com/dftlibs/xcfun/blob/master/LICENSE.md )
44[ ![ DOI] ( https://zenodo.org/badge/DOI/10.5281/zenodo.3576419.svg )] ( https://doi.org/10.5281/zenodo.3576419 )
55
6- [ ![ GitHub issues] ( https://img.shields.io/github/issues/dftlibs/xcfun.svg?style=flat-square )] ( https://github.com/dftlibs/xcfun/issues )
7- [ ![ GitHub forks] ( https://img.shields.io/github/forks/dftlibs/xcfun.svg?style=flat-square )] ( https://github.com/dftlibs/xcfun/network )
8- [ ![ GitHub stars] ( https://img.shields.io/github/stars/dftlibs/xcfun.svg?style=flat-square )] ( https://github.com/dftlibs/xcfun/stargazers )
9-
106# XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives
117
128Copyright Ulf Ekström and [ contributors] ( .zenodo.json ) 2009-2020.
@@ -23,4 +19,6 @@ XCFun is licensed under version 2.0 of the Mozilla Public License
2319
2420The documentation is available at https://xcfun.readthedocs.io .
2521
26- XCFun can now be installed in a [ Spack] ( https://spack.io ) environment: https://xcfun.readthedocs.io/en/latest/using.html#installing-using-spack
22+ XCFun can be installed with popular package managers:
23+ - [ Spack] ( https://spack.io ) : https://xcfun.readthedocs.io/en/latest/using.html#installing-using-spack
24+ - [ Conda] ( https://docs.conda.io ) : https://xcfun.readthedocs.io/en/latest/using.html#installing-using-conda
Original file line number Diff line number Diff line change @@ -32,6 +32,18 @@ XCFun can be installed in a `Spack
3232 spack install xcfun
3333
3434
35+ Installing using Conda
36+ ----------------------
37+
38+ XCFun can be installed in a `Conda
39+ <https://docs.conda.io/> `_ environment with::
40+
41+ conda create -n myenv xcfun -c conda-forge
42+ conda activate myenv
43+
44+ The package is built with derivatives up to 8th order and includes the Python bindings.
45+
46+
3547.. _integration :
3648
3749Integration with your build system
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