diff --git a/README.md b/README.md index e3215fa4..bcf1a8a9 100644 --- a/README.md +++ b/README.md @@ -6,6 +6,11 @@
+ + + + +

--- @@ -43,8 +48,9 @@ please see our [contributor guidelines](https://github.com/psi4/psi4numpy/blob/m # Have Psi4conda installer (http://psicode.org/downloads.html) >>> bash psi4conda-{various}.sh # Check `psi4` command in path; adjust path if needed - # **IF** using DFT tutorials, - >>> conda update psi4 -c psi4/label/dev + # **IF** using DFT tutorials (or a few newer specialized integrals), after above, create a separate environment within for newer psi4: + >>> conda create -n p4env psi4 -c psi4/label/dev + >>> source activate p4env ``` * Option 2 (easy): Download Conda package according to [instructions](http://psicode.org/psi4manual/1.1/conda.html#how-to-install-a-psi4-binary-into-an-ana-miniconda-distribution) ``` @@ -53,10 +59,10 @@ please see our [contributor guidelines](https://github.com/psi4/psi4numpy/blob/m >>> bash >>> source activate p4env # Check `psi4` command in path; adjust path if needed - # **IF** using DFT tutorials, - >>> conda update psi4 -c psi4/label/dev + # **IF** using DFT tutorials (or a few newer specialized integrals), replace above line with this: + >>> conda create -n p4env psi4 -c psi4/label/dev ``` - * Option 3 (medium): [Clone source](https://github.com/psi4/psi4) and [compile](https://github.com/psi4/psi4/blob/master/CMakeLists.txt#L16-L123) according to [instructions](http://psicode.org/psi4manual/master/build_faq.html#configuring-building-and-installing-psifour-via-source) + * Option 3 (medium): [Clone source](https://github.com/psi4/psi4) and [compile](https://github.com/psi4/psi4/blob/master/CMakeLists.txt#L16-L143) according to [instructions](http://psicode.org/psi4manual/master/build_faq.html#configuring-building-and-installing-psifour-via-source) ``` # Get Psi4 source >>> git clone https://github.com/psi4/psi4.git @@ -64,9 +70,8 @@ please see our [contributor guidelines](https://github.com/psi4/psi4numpy/blob/m >>> cmake -H. -Bobjdir -Doption=value ... >>> cd objdir && make -j`getconf _NPROCESSORS_ONLN` # Find `psi4` command at objdir/stage///.../bin/psi4; adjust path if needed - # **IF** using DFT tutorials, + # **IF** using DFT tutorials (or a few newer specialized integrals), replace above line with this: >>> git checkout master - # `make` again ``` 3. [Python](https://python.org) 2.7+ (incl. w/ Psi4 Options 1 & 2) 4. [NumPy](http://www.numpy.org) 1.7.2+ (incl. w/ Psi4 Options 1 & 2) @@ -117,6 +122,11 @@ tutorials are organized in logical order of progression, which is enumerated in detail [here](https://github.com/psi4/psi4numpy/tree/master/Tutorials#interactive-tutorials). -### Psi4 v1.1 +### Psi4 v1.1 (c. May 2017) This repostitory has recently been updated to be compatible with Psi4 version 1.1. Please see the `v1.0` branch for a Psi4 v1.0 compliant Psi4NumPy version. + +### Psi4 v1.2 (c. May 2018) +This reposititory is fully compatible with the upcoming Psi4 version 1.2. +In fact (for a while), if you use v1.2, there's no need to worry if your Psi4 has +all the features to run all the reference implementations and tutorials.