diff --git a/LICENSE b/LICENSE index 0d654c2..9fa6098 100644 --- a/LICENSE +++ b/LICENSE @@ -1,6 +1,6 @@ MIT License -Copyright (c) 2017 Robert A. Shaw +Copyright (c) 2020 Robert A. Shaw Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal diff --git a/README.md b/README.md index 2374fad..932f568 100644 --- a/README.md +++ b/README.md @@ -1,4 +1,4 @@ -## Libecpint 1.0.0 +## Libecpint 1.0.1 [![Build Status](https://dev.azure.com/robertshaw383/libecpint/_apis/build/status/robashaw.libecpint?branchName=master)](https://dev.azure.com/robertshaw383/libecpint/_build/latest?definitionId=2&branchName=master) [![codecov](https://codecov.io/gh/robashaw/libecpint/branch/master/graph/badge.svg)](https://codecov.io/gh/robashaw/libecpint) @@ -13,10 +13,18 @@ Libecpint is a C++ library for the efficient evaluation of integrals over ab ini - New, high level API, with ECP library; - Automated testing suite. +### Patch 1 + +- Bug fix in screening of on-ECP type 2 integrals +- Improvements in CMake build steps, thanks to nabbelbabbel/moritzBens + ## Dependencies -- A modern C++ compiler, at least C++11 standard library is required. This has currently only been tested with GCC (6.3.0 and above, but will in theory work with any > 4.9) and clang (9.0.0 and above). Intel compilers have been known to cause issues. -- CMake/CTest build tools +- A modern C++ compiler, at least C++11 standard library is required. This has been tested with: + * gcc (v6.3.0 and above) + * clang (v10.0.0 and above), you may need the CXX flag "-std=c++14" + * icpc (v20.2.1), may also need the CXX flag "-std=c++14" +- CMake/CTest build tools (v3.12 and higher) - Python (2.7 or above, including 3 and higher) Additionally, if you wish to regenerate the radial code (see below), Python >=3.6 is required with numpy and sympy.