v1.2rc1 #or Mac or Windows # substitute x.x by 3.5 | 3.6 | 3.7 for alternate python versions The P SI4 executable into the main conda environment at Installs Miniconda+Psi4+AddOns into $HOME/psi4conda and Mac, Windows (Ubuntu shell for Windows accepts Linux installers), or native Windows. Sequence of commands to get you to a working P SI4 on Linux, How to install a Psi4 binary with the Psi4conda installer, command-line ¶ Explicit commands at How to install a Psi4 binary with the Psi4conda installer, command-line. With psi4 -test (green and yellow good red bad). PATH and PSI_SCRATCH that it suggests at the end.

Follow the prompts and do make the adjustments to How to install a Psi4 binary with the Psi4conda installer, download site ¶ĭownload one of the nine installers (Linux/Mac/Windows P圓6/37/38/39).īash it. Users proficient with conda may prefer to consult What do the conda packages psi4 & psi4-dev and the installer psi4conda contain.įor more flexibility and a detailed explanation, go toĭetailed Installation of Miniconda and Detailed Installation of. The P SI4 binary repository is at Anaconda (formerly Binstar).įor commands to get a default installation, go to How to install a Psi4 binary with the Psi4conda installer, command-line Standardizes python distribution so no need to find/install libpython packagesĪdd-ons (plugins, extra features requiring Fortran compiler, etc.) can be made available as conda packagesĭevelop P SI4 through plugins without a pre-existing development environment, see Creating a New Plugin Using a Conda Pre-compiled Binary. Updated nightly so new features accessible

Lightweight software stack (<100 MB w/o P SI4 ~1 GB including P SI4, numpy, and MKL) No root, administrator, or sudo access requiredīuilt with high-performance math libraries

Through Anaconda (formerly Continuum Analytics, the company that producesįull-fledged scientific python environment with package manager conda) and, more particularly, Miniconda (a lightweight Pythonĭistribution with same package manager conda). Windows, through the Ubuntu shell) and native Windows architectures P SI4 is available as a pre-compiled binary for Mac and Linux (and Psi4conda installers are not ready for either platform. As of v1.2rc1, new (conda build 3 updated compilers)Ĭonda packages are available for Linux but not Mac).

How to use conda on mac