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installation_guide [2021/10/08 07:47]
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installation_guide [2021/11/16 09:43] (current)
qianli Molpro requires C compiler
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   - A modern Fortran compiler. Molpro has Fortran code spanning Fortran 77 standard up to and including F2018 standard features. We aim to test Molpro regularly using the latest released version of GNU Fortran compiler. The Intel compiler should not be used if Molpro will be used to run PNO-LCCSD calculations.   - A modern Fortran compiler. Molpro has Fortran code spanning Fortran 77 standard up to and including F2018 standard features. We aim to test Molpro regularly using the latest released version of GNU Fortran compiler. The Intel compiler should not be used if Molpro will be used to run PNO-LCCSD calculations.
   - A C++17 standard C++ compiler. We aim to test Molpro regularly with the latest released version of GCC.   - A C++17 standard C++ compiler. We aim to test Molpro regularly with the latest released version of GCC.
 +  - A C99 standard C compiler. This is used to compile external libraries such as [[https://gitlab.com/libxc/libxc | libxc]] and [[https://github.com/KarypisLab/METIS | METIS]].
   - A Python interpreter.   - A Python interpreter.
   - GNU Make.   - GNU Make.